Split (2)

train · 592k rows

Database stringclasses 1 value	Reduced Formula stringlengths 1 18	CIF stringlengths 763 1.78k	Condition Vector stringlengths 199 239
Mattergen	ErCdAgAu	data_[Er4Cd4Ag4Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Cd 1.6900 1.5500 1.0900 Ag 1.9300 1.6000 1.0867 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.9575] _cell_length_b [6....	[0.406,0.731,0.585,0.989,0.863,0.246,0.479,0.642,0.91,0.781,0.781,0.285,0.66,0.502,0.926,0.926,-100,-100,-100,-100,1.0,0.352,0.174,0.163,0.11,0.063,0.037,0.017,0.014,0.014,0.014,0.003,0.001,0.001,0.001,0.001,-100,-100,-100,-100]
Mattergen	EuLuAl2	data_[Eu1Lu1Al2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Lu 1.2700 1.7500 1.0010 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7590] _cell_length_b [3.7590] _cell_length_c [7.5008] _...	[0.375,0.263,0.375,0.67,0.264,0.463,0.538,0.671,0.608,0.607,0.607,0.845,0.789,0.539,0.898,0.899,0.953,0.901,0.788,0.844,1.0,0.628,0.512,0.375,0.321,0.302,0.184,0.177,0.147,0.138,0.134,0.113,0.11,0.085,0.084,0.082,0.079,0.071,0.059,0.053]
Mattergen	Mg2Al2S5	data_[Mg2Al2S5] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Al 1.6100 1.2500 0.6750 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.7113] _cell_length_b [3.7113] _cell_length_c [15.9507] _ce...	[0.362,0.062,0.544,0.546,0.399,0.308,0.333,0.248,0.799,0.315,0.185,0.668,0.903,0.123,0.606,0.88,0.692,0.662,0.924,0.601,1.0,0.86,0.805,0.748,0.539,0.416,0.414,0.262,0.245,0.216,0.206,0.149,0.123,0.117,0.113,0.101,0.093,0.088,0.083,0.076]
Mattergen	Zr3HN3	data_[Zr6H2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [6.6406] _cell_length_b [6.6406] _cell_length_c [4.5709] _cell...	[0.371,0.298,0.527,0.704,0.438,0.537,0.658,0.752,0.462,0.879,0.651,0.964,0.615,0.778,0.41,0.276,0.989,0.832,0.684,0.642,1.0,0.533,0.361,0.286,0.27,0.196,0.155,0.132,0.113,0.106,0.077,0.054,0.051,0.048,0.046,0.042,0.038,0.037,0.034,0.033]
Mattergen	RbNa3(MnCl3)4	data_[Rb3Na9Mn12Cl36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R32] _cell_length_a [14.6135] _cell_length_b [1...	[0.248,0.228,0.29,0.298,0.597,0.597,0.283,0.497,0.441,0.421,0.343,0.452,0.699,0.699,0.36,0.57,0.57,0.271,0.468,0.321,1.0,0.464,0.438,0.435,0.375,0.375,0.349,0.313,0.288,0.246,0.239,0.229,0.223,0.223,0.207,0.185,0.185,0.177,0.175,0.17]
Mattergen	Li6MgCu2	data_[Li18Mg3Cu6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mg 1.3100 1.5000 0.8600 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.4489] _cell_length_b [4.4489] _cell_length_c [26.9774] _...	[0.259,0.451,0.454,0.316,0.219,0.486,0.267,0.505,0.296,0.526,0.568,0.655,0.648,0.822,0.711,0.68,0.844,0.331,0.975,0.82,1.0,0.492,0.376,0.361,0.308,0.292,0.239,0.204,0.202,0.143,0.122,0.12,0.115,0.115,0.107,0.101,0.1,0.098,0.086,0.074]
Mattergen	Tm3Fe7Cu2	data_[Tm9Fe21Cu6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Fe 1.8300 1.4000 0.8525 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.0150] _cell_length_b [5.0150] _cell_length_c [24.8488] _...	[0.468,0.398,0.362,0.395,0.464,0.763,0.843,0.692,0.231,0.753,0.503,0.713,0.486,0.507,0.758,0.715,0.491,0.622,0.238,0.469,1.0,0.595,0.507,0.365,0.355,0.223,0.202,0.162,0.145,0.138,0.131,0.127,0.116,0.112,0.112,0.108,0.105,0.091,0.079,0.078]
Mattergen	Pr3SnTe2	data_[Pr12Sn4Te8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Sn 1.9600 1.4500 0.8300 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.9149] _cell_length_b [13.6485] _cell_length_c [7.8915] _...	[0.308,0.307,0.44,0.439,0.544,0.439,0.44,0.636,0.545,0.543,0.718,0.72,0.719,0.72,0.717,0.718,0.798,0.798,0.797,0.634,1.0,0.503,0.386,0.384,0.207,0.193,0.191,0.13,0.105,0.103,0.09,0.09,0.089,0.089,0.088,0.088,0.067,0.065,0.065,0.065]
Mattergen	Tb(CuP)2	data_[Tb1Cu2P2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.9290] _cell_length_b [3.9290] _cell_length_c [6.4255] _cel...	[0.33,0.428,0.513,0.715,0.621,0.685,0.837,0.894,0.469,0.559,0.712,0.153,0.952,0.886,0.291,0.918,0.986,0.786,0.609,0.309,1.0,0.577,0.423,0.207,0.166,0.141,0.134,0.13,0.126,0.108,0.096,0.082,0.068,0.059,0.048,0.046,0.044,0.039,0.026,0.024]
Mattergen	SrTl2Ag2Br7	data_[Sr2Tl4Ag4Br14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Tl 1.6200 1.9000 1.3325 Ag 1.9300 1.6000 1.0867 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.8358] _cell_length_b [7....	[0.364,0.341,0.255,0.26,0.522,0.379,0.184,0.367,0.252,0.338,0.531,0.405,0.27,0.262,0.446,0.258,0.292,0.454,0.395,0.315,1.0,0.458,0.39,0.359,0.296,0.284,0.28,0.278,0.232,0.229,0.219,0.213,0.169,0.166,0.147,0.146,0.131,0.131,0.125,0.122]
Mattergen	Nd2MgGa4Ir3	data_[Nd2Mg1Ga4Ir3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Mg 1.3100 1.5000 0.8600 Ga 1.8100 1.3000 0.7600 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.1574] _cell_length_b [4....	[0.382,0.357,0.484,0.509,0.613,0.723,0.495,0.338,0.703,0.296,0.823,0.253,0.087,0.92,0.349,0.263,0.896,0.595,0.986,0.906,1.0,0.834,0.708,0.489,0.364,0.343,0.339,0.278,0.232,0.225,0.213,0.207,0.205,0.168,0.162,0.119,0.119,0.104,0.099,0.091]
Mattergen	HoNiPb	data_[Ho4Ni4Pb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Ni 1.9100 1.3500 0.7400 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.5705] _cell_length_b [4.5705] _cell_length_c [14.3200...	[0.375,0.438,0.587,0.737,0.754,0.259,0.795,0.567,0.326,0.431,0.943,0.943,0.524,0.276,0.515,0.693,0.79,0.7,0.628,0.554,1.0,0.709,0.282,0.277,0.266,0.223,0.124,0.101,0.097,0.092,0.08,0.065,0.047,0.042,0.039,0.034,0.033,0.032,0.032,0.025]
Mattergen	Tm(Mn2C)6	data_[Tm3Mn36C18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Mn 1.5500 1.4000 0.6483 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [9.2695] _cell_length_b [9.2695] _cell_length_c [7.5379] _ce...	[0.47,0.454,0.362,0.372,0.527,0.353,0.665,0.699,0.553,0.721,0.279,0.598,0.948,0.941,0.992,0.992,0.64,0.848,0.869,0.952,1.0,0.629,0.41,0.339,0.259,0.228,0.217,0.179,0.175,0.142,0.133,0.119,0.107,0.096,0.092,0.092,0.091,0.089,0.086,0.083]
Mattergen	Pr2B4Os5	data_[Pr8B16Os20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 B 2.0400 0.8500 0.4100 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [Fmmm] _cell_length_a [5.5087] _cell_length_b [10.1037] _cell_length_c [11.5298] _...	[0.413,0.395,0.399,0.33,0.546,0.506,0.435,0.656,0.345,0.721,0.856,0.195,0.532,0.88,0.845,0.882,0.712,0.756,0.599,0.719,1.0,0.557,0.488,0.46,0.301,0.277,0.262,0.231,0.231,0.212,0.203,0.184,0.166,0.113,0.104,0.101,0.1,0.092,0.091,0.088]
Mattergen	Nd3Er2Mg3	data_[Nd6Er4Mg6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Er 1.2400 1.7500 1.0300 Mg 1.3100 1.5000 0.8600 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.7826] _cell_length_b [5.5373] _cell_length_c [22.6959] _c...	[0.364,0.359,0.282,0.35,0.087,0.644,0.509,0.265,0.632,0.221,0.762,0.657,0.535,0.479,0.61,0.652,0.451,0.887,0.848,0.613,1.0,0.271,0.239,0.238,0.228,0.195,0.169,0.161,0.138,0.113,0.101,0.096,0.089,0.085,0.084,0.081,0.08,0.077,0.057,0.057]
Mattergen	La2Sm3Al	data_[La4Sm6Al2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Sm 1.1700 1.8500 1.2290 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [5.5731] _cell_length_b [18.1742] _cell_length_c [3.7976] _c...	[0.357,0.326,0.357,0.636,0.328,0.641,0.518,0.282,0.491,0.654,0.532,0.635,0.647,0.874,0.88,0.46,0.747,0.636,0.952,0.617,1.0,0.308,0.295,0.192,0.183,0.162,0.154,0.13,0.121,0.104,0.097,0.094,0.093,0.077,0.075,0.071,0.069,0.056,0.054,0.051]
Mattergen	KNaCoI4	data_[K2Na2Co2I8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 Co 1.8800 1.3500 0.7683 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.6002] _cell_length_b [8.200...	[0.277,0.295,0.291,0.316,0.327,0.328,0.319,0.472,0.423,0.477,0.491,0.273,0.51,0.219,0.22,0.181,0.299,0.251,0.483,0.162,1.0,0.339,0.326,0.297,0.279,0.276,0.266,0.242,0.229,0.227,0.198,0.191,0.15,0.15,0.149,0.147,0.144,0.133,0.127,0.127]
Mattergen	Rb2Li2SbSe4	data_[Rb4Li4Sb2Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Li 0.9800 1.4500 0.9000 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [15.5194] _cell_length_b [4....	[0.341,0.311,0.341,0.524,0.306,0.475,0.399,0.566,0.135,0.412,0.595,0.359,0.365,0.447,0.249,0.152,0.243,0.642,0.795,0.265,1.0,0.419,0.401,0.29,0.272,0.26,0.241,0.223,0.207,0.188,0.162,0.161,0.14,0.136,0.135,0.126,0.123,0.101,0.095,0.093]
Mattergen	Ba2Cd3InAg4	data_[Ba2Cd3In1Ag4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Cd 1.6900 1.5500 1.0900 In 1.7800 1.5500 0.9400 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.9674] _cell_length_b [4....	[0.333,0.402,0.331,0.528,0.456,0.579,0.681,0.489,0.647,0.615,0.864,0.759,0.977,0.988,0.883,0.282,0.813,0.174,0.853,0.679,1.0,0.804,0.671,0.358,0.344,0.273,0.248,0.221,0.188,0.169,0.159,0.137,0.123,0.117,0.117,0.101,0.097,0.088,0.084,0.083]
Mattergen	LiTb3Mg2	data_[Li1Tb3Mg2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tb 1.1000 1.7500 0.9815 Mg 1.3100 1.5000 0.8600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7773] _cell_length_b [3.7773] _cell_length_c [11.3525] ...	[0.372,0.262,0.373,0.261,0.666,0.46,0.666,0.535,0.602,0.603,0.603,0.838,0.783,0.534,0.947,0.891,0.893,0.893,0.999,0.839,1.0,0.752,0.499,0.378,0.375,0.347,0.188,0.181,0.159,0.158,0.158,0.121,0.115,0.091,0.091,0.081,0.08,0.08,0.063,0.06]
Mattergen	BaCe2FeS5	data_[Ba4Ce8Fe4S20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ce 1.1200 1.8500 1.0800 Fe 1.8300 1.4000 0.8525 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [7.8652] _cell_length_b [7....	[0.359,0.291,0.401,0.291,0.468,0.293,0.358,0.23,0.536,0.467,0.516,0.578,0.578,0.749,0.503,0.568,0.658,0.744,0.145,0.603,1.0,0.717,0.444,0.391,0.361,0.328,0.236,0.203,0.189,0.187,0.173,0.154,0.153,0.149,0.149,0.143,0.138,0.135,0.133,0.118]
Mattergen	Ta3Nb3Ru2	data_[Ta6Nb6Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.5814] _cell_length_b [4.5845] _cell_length_c [13.0861] _c...	[0.435,0.437,0.437,0.79,0.791,0.631,0.934,0.228,0.625,0.786,0.786,0.314,0.939,0.94,0.497,0.546,0.342,0.441,0.634,0.588,1.0,0.248,0.247,0.17,0.17,0.168,0.108,0.088,0.085,0.085,0.085,0.049,0.027,0.027,0.026,0.023,0.015,0.015,0.011,0.011]
Mattergen	Ti4Nb3	data_[Ti8Nb6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.2998] _cell_length_b [3.2998] _cell_length_c [22.7170] _cell_angle_alpha [90.0000] _cel...	[0.432,0.429,0.778,0.619,0.173,0.786,0.929,0.328,0.63,0.086,0.465,0.919,0.581,0.888,0.715,0.647,0.373,0.977,0.628,0.303,1.0,0.516,0.321,0.167,0.154,0.153,0.096,0.093,0.077,0.058,0.053,0.05,0.038,0.022,0.022,0.021,0.013,0.011,0.011,0.008]
Mattergen	TbEr5Pb6	data_[Tb2Er10Pb12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Er 1.2400 1.7500 1.0300 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.1031] _cell_length_b [15.1524] _cell_length_c [7.8120] ...	[0.338,0.397,0.335,0.395,0.526,0.556,0.674,0.533,0.674,0.679,0.704,0.562,0.711,0.825,0.826,0.838,0.842,0.697,0.903,0.908,1.0,0.657,0.512,0.333,0.302,0.256,0.145,0.145,0.144,0.142,0.127,0.124,0.124,0.081,0.08,0.078,0.077,0.066,0.064,0.063]
Mattergen	ScGeRh2	data_[Sc1Ge1Rh2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ge 2.0100 1.2500 0.7700 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.2107] _cell_length_b [4.2107] _cell_length_c [3.4784] _...	[0.443,0.477,0.851,0.78,0.693,0.585,0.955,0.333,0.285,0.563,0.686,0.234,0.762,0.786,0.371,0.617,0.537,0.637,0.825,0.926,1.0,0.402,0.276,0.178,0.128,0.109,0.104,0.082,0.062,0.039,0.022,0.02,0.016,0.014,0.014,0.007,0.005,0.003,0.003,0.002]
Mattergen	Nd6Dy2YTm3	data_[Nd12Dy4Y2Tm6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Dy 1.2200 1.7500 1.1310 Y 1.2200 1.8000 1.0400 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.2771] _cell_length_b [10.8...	[0.337,0.393,0.337,0.343,0.391,0.56,0.568,0.667,0.669,0.67,0.671,0.677,0.701,0.561,0.569,0.831,0.665,0.676,0.7,0.911,1.0,0.665,0.501,0.477,0.336,0.244,0.233,0.144,0.142,0.142,0.141,0.137,0.124,0.121,0.116,0.075,0.073,0.069,0.062,0.059]
Mattergen	Li2Ga3Pd4	data_[Li8Ga12Pd16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ga 1.8100 1.3000 0.7600 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [5.5911] _cell_length_b [14.2687] _cell_length_c [7.4574] ...	[0.448,0.231,0.502,0.191,0.415,0.56,0.543,0.406,0.304,0.308,0.809,0.426,0.939,0.577,0.442,0.447,0.571,0.277,0.744,0.62,1.0,0.674,0.462,0.461,0.359,0.337,0.261,0.245,0.24,0.228,0.208,0.161,0.145,0.138,0.134,0.123,0.122,0.115,0.111,0.097]
Mattergen	YbDyBi	data_[Yb4Dy4Bi4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Dy 1.2200 1.7500 1.1310 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.7362] _cell_length_b [4.7362] _cell_length_c [17.0035] ...	[0.379,0.318,0.422,0.558,0.735,0.351,0.296,0.36,0.609,0.718,0.7,0.564,0.847,0.679,0.703,0.962,0.903,0.464,0.997,0.216,1.0,0.702,0.596,0.327,0.301,0.295,0.243,0.224,0.209,0.154,0.153,0.129,0.126,0.121,0.106,0.097,0.069,0.068,0.067,0.06]
Mattergen	Nd3Ho(ErTe3)2	data_[Nd6Ho2Er4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ho 1.2300 1.7500 1.0410 Er 1.2400 1.7500 1.0300 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [19.4361] _cell_length_b [4...	[0.318,0.317,0.449,0.46,0.569,0.448,0.462,0.659,0.548,0.567,0.736,0.737,0.738,0.752,0.754,0.756,0.657,0.831,0.831,0.841,1.0,0.504,0.388,0.372,0.199,0.194,0.184,0.125,0.105,0.1,0.086,0.086,0.086,0.085,0.085,0.084,0.063,0.063,0.063,0.063]
Mattergen	Er2InGa3Cu4	data_[Er2In1Ga3Cu4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 In 1.7800 1.5500 0.9400 Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.1101] _cell_length_b [4....	[0.393,0.376,0.49,0.547,0.63,0.838,0.757,0.712,0.342,0.695,0.259,0.993,0.384,0.522,0.635,0.457,0.828,0.942,0.687,0.811,1.0,0.505,0.497,0.231,0.229,0.21,0.169,0.157,0.123,0.093,0.085,0.081,0.076,0.072,0.072,0.061,0.05,0.046,0.035,0.034]
Mattergen	TbSiNi	data_[Tb1Si1Ni1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Si 1.9000 1.1000 0.5400 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.0684] _cell_length_b [4.0684] _cell_length_c [3.8250] _c...	[0.385,0.495,0.281,0.64,0.746,0.84,0.528,0.889,0.607,0.912,0.577,0.997,0.786,0.258,0.811,0.565,0.964,0.827,-100,-100,1.0,0.361,0.34,0.227,0.207,0.201,0.099,0.087,0.086,0.059,0.05,0.045,0.04,0.04,0.036,0.035,0.009,0.002,-100,-100]
Mattergen	BaNi(RuO4)2	data_[Ba2Ni2Ru4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ni 1.9100 1.3500 0.7400 Ru 2.2000 1.3000 0.6610 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.8737] _cell_length_b [5.78...	[0.322,0.243,0.379,0.25,0.343,0.332,0.223,0.429,0.496,0.598,0.627,0.65,0.533,0.263,0.383,0.556,0.634,0.667,0.538,0.601,1.0,0.924,0.61,0.48,0.472,0.37,0.332,0.272,0.184,0.183,0.18,0.175,0.169,0.157,0.142,0.131,0.123,0.121,0.12,0.118]
Mattergen	Ba2BPd6Au	data_[Ba6B3Pd18Au3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 B 2.0400 0.8500 0.4100 Pd 2.2000 1.4000 0.8462 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.9811] _cell_length_b [5.98...	[0.435,0.364,0.397,0.398,0.632,0.69,0.461,0.61,0.783,0.196,0.59,0.841,0.332,0.214,0.274,0.312,0.819,0.843,0.448,0.388,1.0,0.852,0.706,0.685,0.408,0.404,0.267,0.217,0.196,0.19,0.189,0.185,0.182,0.178,0.177,0.174,0.16,0.137,0.136,0.121]
Mattergen	Tm(CuAs)2	data_[Tm1Cu2As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Cu 1.9000 1.3500 0.8200 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.0690] _cell_length_b [4.0690] _cell_length_c [6.4381] _c...	[0.321,0.421,0.495,0.699,0.665,0.862,0.553,0.599,0.805,0.468,0.153,0.912,0.88,0.954,0.766,0.837,0.706,0.52,0.899,0.636,1.0,0.827,0.69,0.232,0.213,0.198,0.183,0.175,0.144,0.132,0.113,0.112,0.109,0.077,0.068,0.061,0.053,0.035,0.026,0.022]
Mattergen	LiCoAgCl4	data_[Li2Co2Ag2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [5.9348] _cell_length_b [5.93...	[0.303,0.191,0.515,0.388,0.575,0.331,0.479,0.476,0.904,0.637,0.826,0.629,0.623,0.519,0.512,0.693,0.696,0.979,0.727,0.95,1.0,0.914,0.398,0.334,0.269,0.244,0.237,0.178,0.11,0.105,0.086,0.085,0.08,0.072,0.066,0.065,0.063,0.054,0.053,0.052]
Mattergen	K3Y2BiTe6	data_[K6Y4Bi2Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Y 1.2200 1.8000 1.0400 Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.8623] _cell_length_b [13.618...	[0.299,0.119,0.299,0.441,0.411,0.54,0.441,0.411,0.379,0.517,0.615,0.54,0.379,0.717,0.717,0.717,0.488,0.801,0.517,0.674,1.0,0.549,0.5,0.372,0.342,0.192,0.186,0.171,0.17,0.115,0.104,0.096,0.085,0.081,0.081,0.081,0.071,0.062,0.058,0.053]
Mattergen	TaBePd2	data_[Ta1Be1Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Be 1.5700 1.0500 0.5900 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [2.8191] _cell_length_b [2.8191] _cell_length_c [6.9849] _...	[0.457,0.381,0.506,0.141,0.901,0.68,0.43,0.845,0.737,0.854,0.883,0.799,0.582,0.992,0.527,0.754,0.695,0.922,0.353,0.941,1.0,0.664,0.446,0.374,0.276,0.258,0.248,0.18,0.144,0.13,0.121,0.109,0.07,0.065,0.064,0.022,0.02,0.011,0.008,0.001]
Mattergen	DyHoErAl	data_[Dy1Ho1Er1Al1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Ho 1.2300 1.7500 1.0410 Er 1.2400 1.7500 1.0300 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [Pmmm] _cell_length_a [4.7384] _cell_length_b [4.7...	[0.364,0.422,0.422,0.422,0.725,0.725,0.726,0.762,0.608,0.608,0.609,0.208,0.208,0.296,0.208,0.295,0.295,0.521,0.522,0.522,1.0,0.168,0.167,0.167,0.137,0.137,0.137,0.119,0.117,0.116,0.116,0.072,0.067,0.063,0.062,0.058,0.054,0.028,0.026,0.024]
Mattergen	Tb2Sm(ScBi2)3	data_[Tb4Sm2Sc6Bi12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Sm 1.1700 1.8500 1.2290 Sc 1.3600 1.6000 0.8850 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.6198] _cell_length_b [13...	[0.319,0.32,0.456,0.457,0.566,0.456,0.456,0.276,0.66,0.564,0.566,0.748,0.748,0.749,0.275,0.748,0.749,0.75,0.276,0.349,1.0,0.498,0.392,0.369,0.209,0.196,0.186,0.167,0.126,0.105,0.093,0.091,0.091,0.091,0.084,0.081,0.081,0.081,0.077,0.072]
Mattergen	RbHg3Sb	data_[Rb4Hg12Sb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Hg 2.0000 1.5000 1.2450 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [7.6899] _cell_length_b [11.9044] _cell_length_c [7.2532] _...	[0.378,0.307,0.165,0.32,0.313,0.425,0.435,0.204,0.414,0.721,0.525,0.7,0.559,0.811,0.487,0.648,0.626,0.505,0.462,0.584,1.0,0.579,0.57,0.546,0.497,0.423,0.412,0.258,0.243,0.183,0.183,0.178,0.171,0.164,0.15,0.145,0.138,0.135,0.122,0.118]
Mattergen	LaSi2Pd	data_[La8Si16Pd8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Si 1.9000 1.1000 0.5400 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.4323] _cell_length_b [8.7233] _cell_length_c [16.3743] _...	[0.368,0.378,0.452,0.433,0.46,0.288,0.781,0.226,0.365,0.64,0.257,0.55,0.77,0.661,0.546,0.607,0.278,0.73,0.25,0.429,1.0,0.322,0.26,0.193,0.167,0.145,0.132,0.127,0.126,0.121,0.12,0.116,0.115,0.113,0.095,0.085,0.079,0.079,0.079,0.079]
Mattergen	Eu2ZnPd	data_[Eu8Zn4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Zn 1.6500 1.3500 0.8800 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.3761] _cell_length_b [7.3761] _cell_length_c [7.3761] _c...	[0.382,0.684,0.549,0.92,0.805,0.268,0.619,0.472,0.863,0.863,0.232,0.975,0.451,0.602,0.849,0.731,0.731,0.961,-100,-100,1.0,0.363,0.177,0.158,0.112,0.079,0.035,0.025,0.018,0.018,0.014,0.011,0.007,0.003,0.002,0.002,0.002,0.001,-100,-100]
Mattergen	YInNi2	data_[Y2In2Ni4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 In 1.7800 1.5500 0.9400 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.4086] _cell_length_b [4.4086] _cell_length_c [8.5034] _...	[0.455,0.44,0.35,0.647,0.818,0.788,0.829,0.232,0.584,0.763,0.672,0.545,0.516,0.948,0.986,0.472,0.894,0.73,0.998,0.284,1.0,0.706,0.605,0.215,0.204,0.166,0.157,0.143,0.139,0.122,0.113,0.109,0.103,0.101,0.101,0.054,0.049,0.043,0.04,0.032]
Mattergen	Tb2SnI2	data_[Tb2Sn1I2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Sn 1.9600 1.4500 0.8300 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.4182] _cell_length_b [4.4182] _cell_length_c [11.3752] _ce...	[0.312,0.086,0.454,0.439,0.559,0.742,0.72,0.37,0.816,0.646,0.258,0.516,0.826,0.463,0.802,0.533,0.173,0.785,0.984,0.273,1.0,0.49,0.355,0.346,0.2,0.172,0.131,0.117,0.112,0.112,0.087,0.08,0.061,0.06,0.059,0.054,0.052,0.041,0.041,0.04]
Mattergen	CaLaTlCl6	data_[Ca2La2Tl2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 La 1.1000 1.9500 1.1720 Tl 1.6200 1.9000 1.3325 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [7.3316] _cell_length_b [7...	[0.212,0.4,0.442,0.345,0.27,0.475,0.307,0.597,0.634,0.619,0.469,0.82,0.171,0.548,0.789,0.331,0.155,0.312,0.728,0.747,1.0,0.543,0.313,0.273,0.239,0.225,0.162,0.143,0.127,0.118,0.118,0.115,0.113,0.097,0.083,0.071,0.069,0.067,0.064,0.057]
Mattergen	Tb3Hg	data_[Tb6Hg2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.7906] _cell_length_b [5.3815] _cell_length_c [11.4797] _cell_angle_alpha [90.0000] _cell_...	[0.365,0.37,0.346,0.658,0.514,0.628,0.765,0.663,0.533,0.886,0.648,0.857,0.37,0.476,0.202,0.531,0.872,0.992,0.777,0.799,1.0,0.257,0.235,0.187,0.16,0.125,0.098,0.098,0.093,0.08,0.08,0.051,0.05,0.05,0.048,0.037,0.034,0.034,0.03,0.03]
Mattergen	DyAg2Au	data_[Dy4Ag8Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Ag 1.9300 1.6000 1.0867 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.2146] _cell_length_b [10.1357] _cell_length_c [8.0659] _c...	[0.398,0.355,0.453,0.477,0.468,0.757,0.421,0.245,0.413,0.686,0.499,0.537,0.378,0.822,0.651,0.761,0.645,0.282,0.71,0.194,1.0,0.756,0.376,0.35,0.279,0.23,0.206,0.194,0.193,0.177,0.143,0.139,0.132,0.122,0.11,0.11,0.107,0.103,0.1,0.087]
Mattergen	Hf5Re4Rh	data_[Hf5Re4Rh1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Re 1.9000 1.3500 0.7125 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.2771] _cell_length_b [3.2771] _cell_length_c [16.4397] ...	[0.431,0.432,0.781,0.78,0.624,0.925,0.621,0.927,0.06,0.12,0.18,0.308,0.389,0.24,0.354,0.326,0.471,0.584,0.499,0.449,1.0,0.498,0.353,0.177,0.173,0.113,0.087,0.057,0.037,0.011,0.007,0.004,0.004,0.003,0.003,0.003,0.003,0.003,0.002,0.002]
Mattergen	Yb(Se2Br3)2	data_[Yb1Se4Br6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Se 2.5500 1.1500 1.0133 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.7689] _cell_length_b [7.4950] _cell_length_c [8.1477] _cel...	[0.158,0.308,0.267,0.29,0.173,0.404,0.391,0.317,0.531,0.514,0.317,0.22,0.328,0.413,0.199,0.411,0.556,0.452,0.383,0.453,1.0,0.989,0.723,0.72,0.674,0.648,0.429,0.327,0.299,0.292,0.283,0.279,0.278,0.267,0.253,0.245,0.228,0.227,0.197,0.189]
Mattergen	Nd2Sm(DyTm2)3	data_[Nd4Sm2Dy6Tm12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Sm 1.1700 1.8500 1.2290 Dy 1.2200 1.7500 1.1310 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.1605] _cell_length_b [10...	[0.343,0.398,0.343,0.345,0.398,0.571,0.574,0.68,0.681,0.681,0.681,0.684,0.714,0.572,0.575,0.844,0.679,0.683,0.714,0.932,1.0,0.671,0.501,0.49,0.336,0.242,0.236,0.143,0.142,0.142,0.142,0.139,0.123,0.12,0.118,0.076,0.072,0.07,0.062,0.06]
Mattergen	Na2ZrSnSe4	data_[Na2Zr1Sn1Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zr 1.3300 1.5500 0.8600 Sn 1.9600 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.2894] _cell_length_b [4.0...	[0.337,0.142,0.336,0.481,0.482,0.469,0.495,0.609,0.282,0.437,0.701,0.586,0.588,0.814,0.794,0.615,0.776,0.44,0.795,0.792,1.0,0.556,0.484,0.352,0.336,0.181,0.176,0.176,0.118,0.114,0.108,0.09,0.082,0.077,0.072,0.071,0.067,0.067,0.066,0.064]
Mattergen	DyMoO4F	data_[Dy4Mo4O16F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.5626] _cell_length_b [7.3733...	[0.268,0.313,0.148,0.217,0.3,0.343,0.393,0.501,0.519,0.406,0.547,0.204,0.521,0.347,0.549,0.658,0.512,0.45,0.557,0.307,1.0,0.833,0.693,0.633,0.496,0.432,0.312,0.3,0.294,0.273,0.206,0.203,0.2,0.196,0.161,0.158,0.139,0.138,0.134,0.129]
Mattergen	Ba(Li2Hg)6	data_[Ba3Li36Hg18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Li 0.9800 1.4500 0.9000 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [12.2618] _cell_length_b [12.2618] _cell_length_c [9.8380]...	[0.274,0.324,0.449,0.319,0.221,0.266,0.428,0.545,0.161,0.661,0.562,0.682,0.574,0.395,0.592,0.484,0.46,0.818,0.716,0.518,1.0,0.999,0.448,0.421,0.407,0.385,0.293,0.239,0.211,0.197,0.192,0.162,0.152,0.144,0.139,0.138,0.117,0.113,0.108,0.101]
Mattergen	Rb(InAu2)6	data_[Rb3In18Au36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 In 1.7800 1.5500 0.9400 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [12.3484] _cell_length_b [12.3484] _cell_length_c [9.8739]...	[0.35,0.413,0.42,0.514,0.342,0.447,0.22,0.456,0.809,0.809,0.69,0.429,0.791,0.489,0.744,0.509,0.159,0.881,0.881,0.682,1.0,0.824,0.685,0.548,0.511,0.405,0.399,0.296,0.211,0.211,0.18,0.155,0.15,0.144,0.126,0.115,0.113,0.113,0.113,0.111]
Mattergen	Ba6Na2IrO	data_[Ba12Na4Ir2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Na 0.9300 1.8000 1.1600 Ir 2.2000 1.3500 0.7650 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [8.2931] _cell_length_b [8.29...	[0.283,0.339,0.168,0.461,0.304,0.151,0.581,0.485,0.277,0.569,0.141,0.349,0.372,0.38,0.874,0.525,0.493,0.729,0.368,0.471,1.0,0.852,0.778,0.682,0.541,0.495,0.332,0.303,0.302,0.255,0.25,0.228,0.209,0.196,0.182,0.172,0.162,0.148,0.145,0.14]
Mattergen	Nd4GaAu3	data_[Nd4Ga1Au3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ga 1.8100 1.3000 0.7600 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Pmm2] _cell_length_a [3.9336] _cell_length_b [4.7317] _cell_length_c [11.3964] _c...	[0.34,0.423,0.423,0.409,0.349,0.513,0.364,0.681,0.831,0.557,0.672,0.685,0.764,0.713,0.173,0.086,0.783,0.632,0.567,0.889,1.0,0.819,0.352,0.308,0.292,0.204,0.184,0.175,0.168,0.159,0.147,0.147,0.146,0.122,0.121,0.12,0.115,0.109,0.106,0.097]
Mattergen	Tb6ErSe8	data_[Tb24Er4Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Er 1.2400 1.7500 1.0300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.5369] _cell_length_b [11.5369] _cell_length_c [11.536...	[0.345,0.494,0.816,0.613,0.909,0.297,0.718,0.148,0.585,0.285,0.171,0.242,0.376,0.792,0.517,0.977,0.977,0.451,0.451,0.386,1.0,0.741,0.333,0.26,0.251,0.138,0.121,0.085,0.069,0.058,0.04,0.035,0.03,0.028,0.023,0.022,0.022,0.022,0.022,0.022]
Mattergen	Ti6Cd2NO	data_[Ti24Cd8N4O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cd 1.6900 1.5500 1.0900 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.3816] _cell_length_b [8.381...	[0.413,0.48,0.697,0.835,0.335,0.236,0.88,0.595,0.54,0.967,0.79,0.744,0.744,0.923,0.525,0.634,0.634,0.999,0.999,0.395,1.0,0.601,0.358,0.338,0.311,0.13,0.116,0.115,0.072,0.057,0.047,0.036,0.036,0.017,0.001,0.0,0.0,0.0,0.0,0.0]
Mattergen	Nd5TaN6	data_[Nd10Ta2N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ta 1.5000 1.4500 0.8200 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.1392] _cell_length_b [10.6218] _cell_length_c [6.1103] _c...	[0.344,0.399,0.343,0.345,0.399,0.573,0.575,0.717,0.574,0.575,0.682,0.682,0.683,0.683,0.684,0.846,0.715,0.719,0.682,0.685,1.0,0.951,0.502,0.495,0.477,0.327,0.325,0.163,0.163,0.162,0.153,0.153,0.152,0.152,0.151,0.099,0.082,0.081,0.076,0.075]
Mattergen	PrSc2(TlSe2)3	data_[Pr2Sc4Tl6Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.1341] _cell_length_b [12...	[0.327,0.327,0.445,0.489,0.352,0.445,0.599,0.49,0.281,0.386,0.291,0.255,0.127,0.678,0.351,0.597,0.521,0.281,0.799,0.8,1.0,0.506,0.36,0.344,0.187,0.18,0.174,0.169,0.154,0.116,0.112,0.112,0.111,0.098,0.094,0.088,0.084,0.078,0.071,0.069]
Mattergen	Ba2AlGa	data_[Ba6Al3Ga3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Al 1.6100 1.2500 0.6750 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.5089] _cell_length_b [4.5089] _cell_length_c [27.7173] _ce...	[0.311,0.291,0.256,0.444,0.358,0.634,0.106,0.213,0.55,0.433,0.727,0.475,0.497,0.557,0.58,0.685,0.952,0.538,0.753,0.647,1.0,0.603,0.571,0.562,0.476,0.353,0.273,0.227,0.202,0.182,0.175,0.16,0.153,0.132,0.119,0.117,0.114,0.11,0.109,0.108]
Mattergen	LiLa5In4	data_[Li1La5In4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 La 1.1000 1.9500 1.1720 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.9080] _cell_length_b [3.9080] _cell_length_c [20.2474] ...	[0.354,0.36,0.638,0.626,0.048,0.516,0.739,0.497,0.826,0.854,0.858,0.944,0.754,0.097,0.253,0.146,0.244,0.439,0.258,0.195,1.0,0.479,0.364,0.191,0.175,0.173,0.115,0.095,0.081,0.076,0.076,0.059,0.055,0.048,0.039,0.027,0.021,0.019,0.018,0.016]
Mattergen	Rb3LiCe3S8	data_[Rb9Li3Ce9S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Li 0.9800 1.4500 0.9000 Ce 1.1200 1.8500 1.0800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.2359] _cell_length_b [8.23...	[0.327,0.489,0.447,0.162,0.291,0.128,0.257,0.598,0.22,0.799,0.558,0.521,0.24,0.739,0.354,0.679,0.87,0.413,0.689,0.38,1.0,0.343,0.329,0.321,0.282,0.278,0.175,0.172,0.158,0.142,0.14,0.129,0.125,0.103,0.102,0.093,0.091,0.089,0.081,0.075]
Mattergen	Dy3YEr4	data_[Dy6Y2Er8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Y 1.2200 1.8000 1.0400 Er 1.2400 1.7500 1.0300 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [11.2293] _cell_length_b [7.2703] _cell_length_c [6.2900] _c...	[0.362,0.363,0.354,0.315,0.675,0.636,0.558,0.68,0.48,0.315,0.674,0.636,0.558,0.977,0.68,0.48,0.884,0.922,0.922,0.923,1.0,0.498,0.354,0.241,0.225,0.202,0.199,0.165,0.155,0.121,0.113,0.101,0.1,0.083,0.083,0.078,0.078,0.071,0.07,0.07]

Subsets and Splits

TiO2 XRD Data

Retrieves all records from the dataset where the "Reduced Formula" is 'TiO2', providing a basic filter on a specific material.