c-bone/mattergen_den_ehull · Datasets at Hugging Face

Database stringclasses 1 value	Reduced Formula stringlengths 1 18	CIF stringlengths 763 1.78k	Density (g/cm^3) stringlengths 3 6	energy_above_hull stringclasses 101 values	norm_Density (g/cm^3) stringlengths 3 6	norm_energy_above_hull stringclasses 101 values
Mattergen	Sc6Ir2O	data_[Sc12Ir4O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ir 2.2000 1.3500 0.7650 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.1231] _cell_length_b [6.4965] _cell_length_c [10.4325] _...	6.571	0.031	0.2577	0.31
Mattergen	Sc2TlC	data_[Sc6Tl3C3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.3871] _cell_length_b [3.3871] _cell_length_c [22.9228] _cel...	6.7	0.011	0.2628	0.11
Mattergen	Ba5LiCa	data_[Ba20Li4Ca4] 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 Ca 1.0000 1.8000 1.1400 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.8761] _cell_length_b [9.5585] _cell_length_c [15.0604] ...	3.191	0.089	0.1252	0.89
Mattergen	Li2NdPd	data_[Li8Nd4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nd 1.1400 1.8500 1.2765 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.1200] _cell_length_b [10.3254] _cell_length_c [8.0487] _c...	5.132	0.068	0.2013	0.68
Mattergen	CsCd2(CO3)2	data_[Cs1Cd2C2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.2984] _cell_length_b [5.6318] ...	3.972	0.078	0.1558	0.78
Mattergen	LiZnCu2	data_[Li2Zn2Cu4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Zn 1.6500 1.3500 0.8800 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.6754] _cell_length_b [3.8517] _cell_length_c [7.1172] _ce...	6.574	0.013	0.2579	0.13
Mattergen	NaCeBrCl4	data_[Na4Ce4Br4Cl16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ce 1.1200 1.8500 1.0800 Br 2.9600 1.1500 0.8825 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.2583] _cell_length_b [9...	2.382	0.09	0.0934	0.9
Mattergen	Rb3Sc(AgI4)2	data_[Rb3Sc1Ag2I8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sc 1.3600 1.6000 0.8850 Ag 1.9300 1.6000 1.0867 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [8.3840] _cell_length_b [8.38...	3.923	0.075	0.1539	0.75
Mattergen	Zr2CdRh	data_[Zr2Cd1Rh1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cd 1.6900 1.5500 1.0900 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P4mm] _cell_length_a [3.3194] _cell_length_b [3.3194] _cell_length_c [7.2768] _ce...	8.238	0.079	0.3231	0.79
Mattergen	CsRb2NiF6	data_[Cs4Rb8Ni4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Rb 0.8200 2.3500 1.6600 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.4076] _cell_length_b [9.4...	3.801	0.056	0.1491	0.56
Mattergen	Hf(ScNi)2	data_[Hf2Sc4Ni4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sc 1.3600 1.6000 0.8850 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [6.9983] _cell_length_b [6.9983] _cell_length_c [3.6054] _...	7.256	0.087	0.2846	0.87
Mattergen	LiCoCl3	data_[Li2Co2Cl6] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.0682] _cell_length_b [3.6723] _cell_length_c [9.8715] _...	2.252	0.025	0.0883	0.25
Mattergen	MgSc2Al	data_[Mg4Sc8Al4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.9226] _cell_length_b [6.9226] _cell_length_c [6.9226] _c...	2.827	0.0	0.1109	0.0
Mattergen	NaSiMoO5	data_[Na4Si4Mo4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [6.8167] _cell_length_b [8.78...	3.76	0.028	0.1475	0.28
Mattergen	HoCu3	data_[Ho2Cu6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [4.2379] _cell_length_b [5.7231] _cell_length_c [5.3219] _cell_angle_alpha [90.0000] _cell_a...	9.149	0.052	0.3589	0.52
Mattergen	Ag2BiPb	data_[Ag4Bi2Pb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Bi 2.0200 1.6000 1.0350 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [4.7809] _cell_length_b [3.6498] _cell_length_c [11.4228] _c...	10.529	0.061	0.413	0.61
Mattergen	TlHgSF	data_[Tl6Hg6S6F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Hg 2.0000 1.5000 1.2450 S 2.5800 1.0000 0.8800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.3659] _cell_length_b [4.3659]...	6.71	0.059	0.2632	0.59
Mattergen	Ce2Y4Sn3O2	data_[Ce4Y8Sn6O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Y 1.2200 1.8000 1.0400 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.7088] _cell_length_b [4.708...	6.029	0.067	0.2365	0.67
Mattergen	Sn5Ge2(SbTe5)2	data_[Sn15Ge6Sb6Te30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 Ge 2.0100 1.2500 0.7700 Sb 2.0500 1.4500 0.8300 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.3860] _cell_length_b [4....	6.05	0.034	0.2373	0.34
Mattergen	CeYIN2	data_[Ce2Y2I2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Y 1.2200 1.8000 1.0400 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.3451] _cell_length_b [4.2087]...	5.364	0.074	0.2104	0.74
Mattergen	AgH3Rh	data_[Ag1H3Rh1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 H 2.2000 0.2500 0.0000 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.5154] _cell_length_b [3.5154] _cell_length_c [3.5154] _cel...	8.172	0.083	0.3205	0.83
Mattergen	Cs3BaMn2Cl9	data_[Cs3Ba1Mn2Cl9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ba 0.8900 2.1500 1.4900 Mn 1.5500 1.4000 0.6483 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [7.5858] _cell_length_b [7....	3.319	0.049	0.1302	0.49
Mattergen	TmLuCdAg	data_[Tm4Lu4Cd4Ag4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Lu 1.2700 1.7500 1.0010 Cd 1.6900 1.5500 1.0900 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.2751] _cell_length_b [7....	9.732	0.021	0.3817	0.21
Mattergen	Ca4Bi2P	data_[Ca8Bi4P2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Bi 2.0200 1.6000 1.0350 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.3152] _cell_length_b [5.3152] _cell_length_c [16.5608] _c...	4.325	0.098	0.1696	0.98
Mattergen	Ce6Zn2Cd	data_[Ce6Zn2Cd1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Zn 1.6500 1.3500 0.8800 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [8.9834] _cell_length_b [8.9834] _cell_length_c [3.2241] _c...	7.988	0.088	0.3133	0.88
Mattergen	SmDy2(HoTm2)3	data_[Sm2Dy4Ho6Tm12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Dy 1.2200 1.7500 1.1310 Ho 1.2300 1.7500 1.0410 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.0878] _cell_length_b [10...	8.959	0.035	0.3514	0.35
Mattergen	Tb2Dy2Sb2C	data_[Tb4Dy4Sb4C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Dy 1.2200 1.7500 1.1310 Sb 2.0500 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.7944] _cell_length_b [4.7...	8.206	0.059	0.3219	0.59
Mattergen	Ho3Cu	data_[Ho12Cu4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.8762] _cell_length_b [11.4972] _cell_length_c [7.5205] _cell_angle_alpha [90.0000] _cell...	8.796	0.072	0.345	0.72
Mattergen	RbScS2	data_[Rb4Sc4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sc 1.3600 1.6000 0.8850 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [6.9923] _cell_length_b [10.6858] _cell_length_c [6.8956] _c...	2.508	0.099	0.0984	0.99
Mattergen	Dy2AgSb4	data_[Dy2Ag1Sb4] 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 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.3912] _cell_length_b [4.3912] _cell_length_c [9.8018] _c...	8.082	0.063	0.317	0.63
Mattergen	MnZn2TeO6	data_[Mn4Zn8Te4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Zn 1.6500 1.3500 0.8800 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.7336] _cell_length_b [9.30...	5.498	0.0	0.2157	0.0
Mattergen	SnH2Ir	data_[Sn2H4Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 H 2.2000 0.2500 0.0000 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [3.4066] _cell_length_b [3.4066] _cell_length_c [8.5218] _cel...	10.509	0.04	0.4122	0.4
Mattergen	La2YZrN4	data_[La2Y1Zr1N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Y 1.2200 1.8000 1.0400 Zr 1.3300 1.5500 0.8600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [6.0822] _cell_length_b [3.5081]...	6.792	0.024	0.2664	0.24
Mattergen	CeDyTm6	data_[Ce1Dy1Tm6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Dy 1.2200 1.7500 1.1310 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.8715] _cell_length_b [4.8715] _cell_length_c [9.7296] _...	9.466	0.061	0.3713	0.61
Mattergen	KDy2MnSe4	data_[K4Dy8Mn4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Dy 1.2200 1.7500 1.1310 Mn 1.5500 1.4000 0.6483 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.1243] _cell_length_b [14.1...	5.807	0.079	0.2278	0.79
Mattergen	Hf3HN	data_[Hf18H6N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.6280] _cell_length_b [5.6280] _cell_length_c [15.4117] _cell_...	12.973	0.062	0.5089	0.62
Mattergen	HfPdPb	data_[Hf4Pd4Pb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Pd 2.2000 1.4000 0.8462 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.4548] _cell_length_b [6.4548] _cell_length_c [6.4548] _c...	12.154	0.022	0.4767	0.22
Mattergen	Er5AlCd4	data_[Er5Al1Cd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Al 1.6100 1.2500 0.6750 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6929] _cell_length_b [3.6929] _cell_length_c [18.4019] ...	8.688	0.015	0.3408	0.15
Mattergen	ZrNbNi	data_[Zr2Nb2Ni2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [3.2185] _cell_length_b [4.3518] _cell_length_c [7.5014] _...	7.694	0.092	0.3018	0.92
Mattergen	BaCd	data_[Ba4Cd4] 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 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.1206] _cell_length_b [5.1206] _cell_length_c [16.2557] _cell_angle_alpha [90.0000] _c...	4.494	0.073	0.1763	0.73
Mattergen	MgHgSe2	data_[Mg2Hg2Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Hg 2.0000 1.5000 1.2450 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [7.6360] _cell_length_b [4.0203] _cell_length_c [7.5793] _cell...	6.011	0.084	0.2358	0.84
Mattergen	Ca2NdScTe4	data_[Ca2Nd1Sc1Te4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Nd 1.1400 1.8500 1.2765 Sc 1.3600 1.6000 0.8850 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.5815] _cell_length_b [4.3...	5.324	0.058	0.2088	0.58
Mattergen	KNd(PbBr4)2	data_[K1Nd1Pb2Br8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nd 1.1400 1.8500 1.2765 Pb 2.3300 1.8000 1.1225 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [6.9507] _cell_length_b [9.313...	4.339	0.029	0.1702	0.29
Mattergen	Nd5Tm4Sc	data_[Nd5Tm4Sc1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Tm 1.2500 1.7500 1.0950 Sc 1.3600 1.6000 0.8850 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6244] _cell_length_b [3.6244] _cell_length_c [24.3636] ...	7.481	0.028	0.2934	0.28
Mattergen	TiNbMoIr	data_[Ti4Nb4Mo4Ir4] 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 Mo 2.1600 1.4500 0.7750 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.3479] _cell_length_b [6....	11.138	0.0	0.4369	0.0
Mattergen	Li2AlSi3Pt4	data_[Li2Al1Si3Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [3.9578] _cell_length_b [3....	9.07	0.05	0.3558	0.5
Mattergen	La3(CdSn2)2	data_[La6Cd4Sn8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cd 1.6900 1.5500 1.0900 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.3002] _cell_length_b [4.8024] _cell_length_c [9.6572] _c...	7.08	0.052	0.2777	0.52
Mattergen	Rb2Hf2AgSe6	data_[Rb4Hf4Ag2Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Hf 1.3000 1.5500 0.8500 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.7559] _cell_length_b [11...	5.537	0.068	0.2172	0.68
Mattergen	MgTaPd2	data_[Mg1Ta1Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ta 1.5000 1.4500 0.8200 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [2.9062] _cell_length_b [2.9062] _cell_length_c [7.6450] _...	10.752	0.081	0.4217	0.81
Mattergen	Li3Ti2MnSe6	data_[Li6Ti4Mn2Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.4497] _cell_length_b [11...	4.631	0.026	0.1817	0.26
Mattergen	La2HoRh9	data_[La6Ho3Rh27] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ho 1.2300 1.7500 1.0410 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.2941] _cell_length_b [5.2941] _cell_length_c [26.8962] _...	10.446	0.03	0.4097	0.3
Mattergen	Ce2Hf3S8	data_[Ce4Hf6S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Hf 1.3000 1.5500 0.8500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.8730] _cell_length_b [7.4108] _cell_length_c [6.4020] _ce...	5.689	0.062	0.2232	0.62
Mattergen	Cu4Au	data_[Cu8Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [2.7078] _cell_length_b [3.5922] _cell_length_c [13.6685] _cell_angle_alpha [90.0000] _cell_...	11.269	0.024	0.442	0.24
Mattergen	Sm2Si4NiPt3	data_[Sm2Si4Ni1Pt3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Si 1.9000 1.1000 0.5400 Ni 1.9100 1.3500 0.7400 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.2012] _cell_length_b [4....	10.143	0.018	0.3979	0.18
Mattergen	NdH3Pd	data_[Nd1H3Pd1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 H 2.2000 0.2500 0.0000 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.7968] _cell_length_b [3.7968] _cell_length_c [3.7968] _cel...	7.697	0.098	0.3019	0.98
Mattergen	Li2ZnCu	data_[Li4Zn2Cu2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Zn 1.6500 1.3500 0.8800 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.2863] _cell_length_b [3.9526] _cell_length_c [8.3863] _ce...	4.355	0.052	0.1708	0.52
Mattergen	Li2DyMgAu2	data_[Li2Dy1Mg1Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Dy 1.2200 1.7500 1.1310 Mg 1.3100 1.5000 0.8600 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.4724] _cell_length_b [4....	8.576	0.048	0.3364	0.48
Mattergen	Nd3Zn2In	data_[Nd3Zn2In1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Zn 1.6500 1.3500 0.8800 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6417] _cell_length_b [3.6417] _cell_length_c [11.9234] ...	7.124	0.007	0.2794	0.07
Mattergen	Ba2HfPbO6	data_[Ba8Hf4Pb4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Hf 1.3000 1.5500 0.8500 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.5392] _cell_length_b [8.5...	8.068	0.005	0.3165	0.05
Mattergen	K4Pr3YSe8	data_[K12Pr9Y3Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Pr 1.1300 1.8500 1.0600 Y 1.2200 1.8000 1.0400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.6820] _cell_length_b [8.682...	4.288	0.005	0.1682	0.05
Mattergen	Mg2TlIn9	data_[Mg2Tl1In9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Tl 1.6200 1.9000 1.3325 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [P6/mmm] _cell_length_a [10.2666] _cell_length_b [10.2666] _cell_length_c [3.5860]...	6.526	0.059	0.256	0.59
Mattergen	BaTbNiSe3	data_[Ba4Tb4Ni4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Tb 1.1000 1.7500 0.9815 Ni 1.9100 1.3500 0.7400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.1294] _cell_length_b [14...	6.312	0.042	0.2476	0.42
Mattergen	Cs2Tl3AgCl6	data_[Cs4Tl6Ag2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Tl 1.6200 1.9000 1.3325 Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.0773] _cell_length_b [14...	4.615	0.043	0.181	0.43
Mattergen	Ti5CN4	data_[Ti15C3N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.0220] _cell_length_b [3.0220] _cell_length_c [36.9441] _cel...	5.241	0.004	0.2056	0.04
Mattergen	Dy2MgZrP4	data_[Dy2Mg1Zr1P4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Mg 1.3100 1.5000 0.8600 Zr 1.3300 1.5500 0.8600 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [6.7054] _cell_length_b [3.898...	5.614	0.077	0.2202	0.77
Mattergen	CeTm2Pb3	data_[Ce1Tm2Pb3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Tm 1.2500 1.7500 1.0950 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.5390] _cell_length_b [3.5390] _cell_length_c [13.4483] ...	10.841	0.076	0.4252	0.76
Mattergen	BaEr(GeAu)2	data_[Ba1Er1Ge2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Er 1.2400 1.7500 1.0300 Ge 2.0100 1.2500 0.7700 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.6031] _cell_length_b [4....	9.585	0.005	0.376	0.05
Mattergen	InAgSbSe4	data_[In4Ag4Sb4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Ag 1.9300 1.6000 1.0867 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [8.0475] _cell_length_b [8....	5.692	0.056	0.2233	0.56
Mattergen	Tb2PrZn3	data_[Tb2Pr1Zn3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Pr 1.1300 1.8500 1.0600 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6266] _cell_length_b [3.6266] _cell_length_c [10.9776] ...	7.533	0.003	0.2955	0.03
Mattergen	Tb3Pr2YHo6	data_[Tb6Pr4Y2Ho12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Pr 1.1300 1.8500 1.0600 Y 1.2200 1.8000 1.0400 Ho 1.2300 1.7500 1.0410 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.2002] _cell_length_b [10.6...	7.903	0.023	0.31	0.23
Mattergen	EuNiP	data_[Eu1Ni1P1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.8939] _cell_length_b [3.8939] _cell_length_c [4.2018] _cel...	7.272	0.007	0.2852	0.07
Mattergen	K2Pr(HgTe2)2	data_[K4Pr2Hg4Te8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Pr 1.1300 1.8500 1.0600 Hg 2.0000 1.5000 1.2450 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [17.2262] _cell_length_b [4.75...	5.703	0.088	0.2237	0.88
Mattergen	CsMgTl2Pb	data_[Cs2Mg2Tl4Pb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Mg 1.3100 1.5000 0.8600 Tl 1.6200 1.9000 1.3325 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [5.1806] _cell_length_b [5....	6.976	0.093	0.2736	0.93
Mattergen	NaSb2	data_[Na2Sb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.0476] _cell_length_b [4.0476] _cell_length_c [11.2052] _cell_angle_alpha [90.0000] _cel...	4.821	0.0	0.1891	0.0
Mattergen	LiCe(MgGa)2	data_[Li1Ce1Mg2Ga2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ce 1.1200 1.8500 1.0800 Mg 1.3100 1.5000 0.8600 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.6748] _cell_length_b [4....	4.386	0.037	0.172	0.37
Mattergen	CePr3(SmTe3)2	data_[Ce2Pr6Sm4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Pr 1.1300 1.8500 1.0600 Sm 1.1700 1.8500 1.2290 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [19.9198] _cell_length_b [4...	6.748	0.052	0.2647	0.52
Mattergen	La4P3	data_[La16P12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [I-43d] _cell_length_a [9.0012] _cell_length_b [9.0012] _cell_length_c [9.0012] _cell_angle_alpha [90.0000] _cell_...	5.907	0.003	0.2317	0.03
Mattergen	Gd2Al6Si4Au	data_[Gd6Al18Si12Au3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.2354] _cell_length_b [4...	5.01	0.0	0.1965	0.0
Mattergen	Rb2NdScTe4	data_[Rb2Nd1Sc1Te4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Nd 1.1400 1.8500 1.2765 Sc 1.3600 1.6000 0.8850 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.8073] _cell_length_b [4.4...	4.819	0.017	0.189	0.17
Mattergen	DyY2TmO6	data_[Dy3Y6Tm3O18] 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 Tm 1.2500 1.7500 1.0950 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [5.7966] _cell_length_b [5.7966] ...	6.833	0.052	0.268	0.52
Mattergen	K2MgZrS4	data_[K2Mg1Zr1S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mg 1.3100 1.5000 0.8600 Zr 1.3300 1.5500 0.8600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [6.7001] _cell_length_b [3.8579]...	2.837	0.03	0.1113	0.3
Mattergen	Cd7Au	data_[Cd28Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.8888] _cell_length_b [8.8888] _cell_length_c [8.8888] _cell_angle_alpha [90.0000] _cell...	9.305	0.038	0.365	0.38
Mattergen	NbO2	data_[Nb6O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [9.6417] _cell_length_b [4.0071] _cell_length_c [6.8119] _cell_angle_alpha [90.0000] _cell_angl...	5.14	0.077	0.2016	0.77
Mattergen	ZnCu6Sn	data_[Zn1Cu6Sn1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Cu 1.9000 1.3500 0.8200 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [5.3651] _cell_length_b [5.3651] _cell_length_c [4.2957] _c...	8.768	0.038	0.3439	0.38
Mattergen	Sr2Pt2Pb	data_[Sr4Pt4Pb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Pt 2.2800 1.3500 0.8050 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [4.4798] _cell_length_b [14.8024] _cell_length_c [4.1747] _c...	9.269	0.051	0.3636	0.51
Mattergen	K3H2F	data_[K6H4F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 H 2.2000 0.2500 0.0000 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.9378] _cell_length_b [5.5667] _cell_length_c [11.8617] _cell_an...	1.767	0.062	0.0693	0.62
Mattergen	RbCaPS4	data_[Rb2Ca2P2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ca 1.0000 1.8000 1.1400 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.5305] _cell_length_b [6.727...	2.498	0.0	0.098	0.0
Mattergen	K12InHg7	data_[K36In3Hg21] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 In 1.7800 1.5500 0.9400 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [17.9902] _cell_length_b [17.9902] _cell_length_c [10.6750] _...	3.31	0.031	0.1298	0.31
Mattergen	Ca2Au3	data_[Ca6Au9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.6877] _cell_length_b [4.6877] _cell_length_c [19.8733] _cell_angle_alpha [90.0000] _cell_...	8.839	0.07	0.3467	0.7
Mattergen	BaP3	data_[Ba4P12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.8135] _cell_length_b [7.7492] _cell_length_c [4.8002] _cell_angle_alpha [90.0000] _cell_a...	3.767	0.0	0.1478	0.0
Mattergen	Sm(FeBr4)2	data_[Sm2Fe4Br16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Fe 1.8300 1.4000 0.8525 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.8277] _cell_length_b [10.2873] _cell_length_c [6.6346] ...	3.433	0.02	0.1347	0.2
Mattergen	Na2ZnSn3Pt4	data_[Na2Zn1Sn3Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zn 1.6500 1.3500 0.8800 Sn 1.9600 1.4500 0.8300 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.1875] _cell_length_b [4....	9.81	0.071	0.3848	0.71
Mattergen	CeAlAgS4	data_[Ce4Al4Ag4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Al 1.6100 1.2500 0.6750 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.2966] _cell_length_b [8.08...	4.197	0.079	0.1646	0.79
Mattergen	TbPrYMg	data_[Tb1Pr1Y1Mg1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Pr 1.1300 1.8500 1.0600 Y 1.2200 1.8000 1.0400 Mg 1.3100 1.5000 0.8600 ] _symmetry_space_group_name_H-M [P4mm] _cell_length_a [3.6682] _cell_length_b [3.668...	5.601	0.046	0.2197	0.46
Mattergen	FePtRh6	data_[Fe1Pt1Rh6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Pt 2.2800 1.3500 0.8050 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [5.4911] _cell_length_b [5.4911] _cell_length_c [4.4095] _c...	12.523	0.065	0.4912	0.65
Mattergen	La2YTl	data_[La4Y2Tl2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Y 1.2200 1.8000 1.0400 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.8822] _cell_length_b [4.8822] _cell_length_c [10.5710] _c...	7.527	0.032	0.2952	0.32
Mattergen	La4GeS2Cl	data_[La8Ge2S4Cl2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.9586] _cell_length_b [5.9...	5.668	0.014	0.2223	0.14
Mattergen	Zn5In	data_[Zn20In4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.4840] _cell_length_b [7.4840] _cell_length_c [7.4840] _cell_angle_alpha [90.0000] _cell...	7.002	0.091	0.2747	0.91
Mattergen	TbNd5Tl6	data_[Tb2Nd10Tl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Nd 1.1400 1.8500 1.2765 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [5.5118] _cell_length_b [7.7620] _cell_length_c [16.5857] ...	9.859	0.006	0.3867	0.06
Mattergen	Cs3K4Rb	data_[Cs6K8Rb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [8.4043] _cell_length_b [12.2228] _cell_length_c [15.1217] _ce...	1.37	0.075	0.0537	0.75

Mattergen

Sc6Ir2O

data_[Sc12Ir4O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ir 2.2000 1.3500 0.7650 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.1231] _cell_length_b [6.4965] _cell_length_c [10.4325] _...

6.571

0.031

0.2577

0.31

Mattergen

Sc2TlC

data_[Sc6Tl3C3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.3871] _cell_length_b [3.3871] _cell_length_c [22.9228] _cel...

6.7

0.011

0.2628

0.11

Mattergen

Ba5LiCa

data_[Ba20Li4Ca4] 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 Ca 1.0000 1.8000 1.1400 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.8761] _cell_length_b [9.5585] _cell_length_c [15.0604] ...

3.191

0.089

0.1252

0.89

Mattergen

Li2NdPd

data_[Li8Nd4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nd 1.1400 1.8500 1.2765 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.1200] _cell_length_b [10.3254] _cell_length_c [8.0487] _c...

5.132

0.068

0.2013

0.68

Mattergen

CsCd2(CO3)2

data_[Cs1Cd2C2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.2984] _cell_length_b [5.6318] ...

3.972

0.078

0.1558

0.78

Mattergen

LiZnCu2

data_[Li2Zn2Cu4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Zn 1.6500 1.3500 0.8800 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.6754] _cell_length_b [3.8517] _cell_length_c [7.1172] _ce...

6.574

0.013

0.2579

0.13

Mattergen

NaCeBrCl4

data_[Na4Ce4Br4Cl16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ce 1.1200 1.8500 1.0800 Br 2.9600 1.1500 0.8825 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.2583] _cell_length_b [9...

2.382

0.09

0.0934

0.9

Mattergen

Rb3Sc(AgI4)2

data_[Rb3Sc1Ag2I8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sc 1.3600 1.6000 0.8850 Ag 1.9300 1.6000 1.0867 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [8.3840] _cell_length_b [8.38...

3.923

0.075

0.1539

0.75

Mattergen

Zr2CdRh

data_[Zr2Cd1Rh1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cd 1.6900 1.5500 1.0900 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P4mm] _cell_length_a [3.3194] _cell_length_b [3.3194] _cell_length_c [7.2768] _ce...

8.238

0.079

0.3231

0.79

Mattergen

CsRb2NiF6

data_[Cs4Rb8Ni4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Rb 0.8200 2.3500 1.6600 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.4076] _cell_length_b [9.4...

3.801

0.056

0.1491

0.56

Mattergen

Hf(ScNi)2

data_[Hf2Sc4Ni4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Sc 1.3600 1.6000 0.8850 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [6.9983] _cell_length_b [6.9983] _cell_length_c [3.6054] _...

7.256

0.087

0.2846

0.87

Mattergen

LiCoCl3

data_[Li2Co2Cl6] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.0682] _cell_length_b [3.6723] _cell_length_c [9.8715] _...

2.252

0.025

0.0883

0.25

Mattergen

MgSc2Al

data_[Mg4Sc8Al4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.9226] _cell_length_b [6.9226] _cell_length_c [6.9226] _c...

2.827

0.0

0.1109

0.0

Mattergen

NaSiMoO5

data_[Na4Si4Mo4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Si 1.9000 1.1000 0.5400 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [6.8167] _cell_length_b [8.78...

3.76

0.028

0.1475

0.28

Mattergen

HoCu3

data_[Ho2Cu6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [4.2379] _cell_length_b [5.7231] _cell_length_c [5.3219] _cell_angle_alpha [90.0000] _cell_a...

9.149

0.052

0.3589

0.52

Mattergen

Ag2BiPb

data_[Ag4Bi2Pb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Bi 2.0200 1.6000 1.0350 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [4.7809] _cell_length_b [3.6498] _cell_length_c [11.4228] _c...

10.529

0.061

0.413

0.61

Mattergen

TlHgSF

data_[Tl6Hg6S6F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Hg 2.0000 1.5000 1.2450 S 2.5800 1.0000 0.8800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.3659] _cell_length_b [4.3659]...

6.71

0.059

0.2632

0.59

Mattergen

Ce2Y4Sn3O2

data_[Ce4Y8Sn6O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Y 1.2200 1.8000 1.0400 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.7088] _cell_length_b [4.708...

6.029

0.067

0.2365

0.67

Mattergen

Sn5Ge2(SbTe5)2

data_[Sn15Ge6Sb6Te30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 Ge 2.0100 1.2500 0.7700 Sb 2.0500 1.4500 0.8300 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.3860] _cell_length_b [4....

6.05

0.034

0.2373

0.34

Mattergen

CeYIN2

data_[Ce2Y2I2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Y 1.2200 1.8000 1.0400 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.3451] _cell_length_b [4.2087]...

5.364

0.074

0.2104

0.74

Mattergen

AgH3Rh

data_[Ag1H3Rh1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 H 2.2000 0.2500 0.0000 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.5154] _cell_length_b [3.5154] _cell_length_c [3.5154] _cel...

8.172

0.083

0.3205

0.83

Mattergen

Cs3BaMn2Cl9

data_[Cs3Ba1Mn2Cl9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ba 0.8900 2.1500 1.4900 Mn 1.5500 1.4000 0.6483 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [7.5858] _cell_length_b [7....

3.319

0.049

0.1302

0.49

Mattergen

TmLuCdAg

data_[Tm4Lu4Cd4Ag4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Lu 1.2700 1.7500 1.0010 Cd 1.6900 1.5500 1.0900 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.2751] _cell_length_b [7....

9.732

0.021

0.3817

0.21

Mattergen

Ca4Bi2P

data_[Ca8Bi4P2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Bi 2.0200 1.6000 1.0350 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.3152] _cell_length_b [5.3152] _cell_length_c [16.5608] _c...

4.325

0.098

0.1696

0.98

Mattergen

Ce6Zn2Cd

data_[Ce6Zn2Cd1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Zn 1.6500 1.3500 0.8800 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [8.9834] _cell_length_b [8.9834] _cell_length_c [3.2241] _c...

7.988

0.088

0.3133

0.88

Mattergen

SmDy2(HoTm2)3

data_[Sm2Dy4Ho6Tm12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Dy 1.2200 1.7500 1.1310 Ho 1.2300 1.7500 1.0410 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.0878] _cell_length_b [10...

8.959

0.035

0.3514

0.35

Mattergen

Tb2Dy2Sb2C

data_[Tb4Dy4Sb4C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Dy 1.2200 1.7500 1.1310 Sb 2.0500 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.7944] _cell_length_b [4.7...

8.206

0.059

0.3219

0.59

Mattergen

Ho3Cu

data_[Ho12Cu4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.8762] _cell_length_b [11.4972] _cell_length_c [7.5205] _cell_angle_alpha [90.0000] _cell...

8.796

0.072

0.345

0.72

Mattergen

RbScS2

data_[Rb4Sc4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sc 1.3600 1.6000 0.8850 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [6.9923] _cell_length_b [10.6858] _cell_length_c [6.8956] _c...

2.508

0.099

0.0984

0.99

Mattergen

Dy2AgSb4

data_[Dy2Ag1Sb4] 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 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.3912] _cell_length_b [4.3912] _cell_length_c [9.8018] _c...

8.082

0.063

0.317

0.63

Mattergen

MnZn2TeO6

data_[Mn4Zn8Te4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Zn 1.6500 1.3500 0.8800 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.7336] _cell_length_b [9.30...

5.498

0.0

0.2157

0.0

Mattergen

SnH2Ir

data_[Sn2H4Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 H 2.2000 0.2500 0.0000 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [3.4066] _cell_length_b [3.4066] _cell_length_c [8.5218] _cel...

10.509

0.04

0.4122

0.4

Mattergen

La2YZrN4

data_[La2Y1Zr1N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Y 1.2200 1.8000 1.0400 Zr 1.3300 1.5500 0.8600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [6.0822] _cell_length_b [3.5081]...

6.792

0.024

0.2664

0.24

Mattergen

CeDyTm6

data_[Ce1Dy1Tm6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Dy 1.2200 1.7500 1.1310 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.8715] _cell_length_b [4.8715] _cell_length_c [9.7296] _...

9.466

0.061

0.3713

0.61

Mattergen

KDy2MnSe4

data_[K4Dy8Mn4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Dy 1.2200 1.7500 1.1310 Mn 1.5500 1.4000 0.6483 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.1243] _cell_length_b [14.1...

5.807

0.079

0.2278

0.79

Mattergen

Hf3HN

data_[Hf18H6N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.6280] _cell_length_b [5.6280] _cell_length_c [15.4117] _cell_...

12.973

0.062

0.5089

0.62

Mattergen

HfPdPb

data_[Hf4Pd4Pb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Pd 2.2000 1.4000 0.8462 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.4548] _cell_length_b [6.4548] _cell_length_c [6.4548] _c...

12.154

0.022

0.4767

0.22

Mattergen

Er5AlCd4

data_[Er5Al1Cd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Al 1.6100 1.2500 0.6750 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6929] _cell_length_b [3.6929] _cell_length_c [18.4019] ...

8.688

0.015

0.3408

0.15

Mattergen

ZrNbNi

data_[Zr2Nb2Ni2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [3.2185] _cell_length_b [4.3518] _cell_length_c [7.5014] _...

7.694

0.092

0.3018

0.92

Mattergen

BaCd

data_[Ba4Cd4] 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 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.1206] _cell_length_b [5.1206] _cell_length_c [16.2557] _cell_angle_alpha [90.0000] _c...

4.494

0.073

0.1763

0.73

Mattergen

MgHgSe2

data_[Mg2Hg2Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Hg 2.0000 1.5000 1.2450 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [7.6360] _cell_length_b [4.0203] _cell_length_c [7.5793] _cell...

6.011

0.084

0.2358

0.84

Mattergen

Ca2NdScTe4

data_[Ca2Nd1Sc1Te4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Nd 1.1400 1.8500 1.2765 Sc 1.3600 1.6000 0.8850 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.5815] _cell_length_b [4.3...

5.324

0.058

0.2088

0.58

Mattergen

KNd(PbBr4)2

data_[K1Nd1Pb2Br8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nd 1.1400 1.8500 1.2765 Pb 2.3300 1.8000 1.1225 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [6.9507] _cell_length_b [9.313...

4.339

0.029

0.1702

0.29

Mattergen

Nd5Tm4Sc

data_[Nd5Tm4Sc1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Tm 1.2500 1.7500 1.0950 Sc 1.3600 1.6000 0.8850 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6244] _cell_length_b [3.6244] _cell_length_c [24.3636] ...

7.481

0.028

0.2934

0.28

Mattergen

TiNbMoIr

data_[Ti4Nb4Mo4Ir4] 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 Mo 2.1600 1.4500 0.7750 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.3479] _cell_length_b [6....

11.138

0.0

0.4369

0.0

Mattergen

Li2AlSi3Pt4

data_[Li2Al1Si3Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [3.9578] _cell_length_b [3....

9.07

0.05

0.3558

0.5

Mattergen

La3(CdSn2)2

data_[La6Cd4Sn8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cd 1.6900 1.5500 1.0900 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.3002] _cell_length_b [4.8024] _cell_length_c [9.6572] _c...

7.08

0.052

0.2777

0.52

Mattergen

Rb2Hf2AgSe6

data_[Rb4Hf4Ag2Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Hf 1.3000 1.5500 0.8500 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.7559] _cell_length_b [11...

5.537

0.068

0.2172

0.68

Mattergen

MgTaPd2

data_[Mg1Ta1Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ta 1.5000 1.4500 0.8200 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [2.9062] _cell_length_b [2.9062] _cell_length_c [7.6450] _...

10.752

0.081

0.4217

0.81

Mattergen

Li3Ti2MnSe6

data_[Li6Ti4Mn2Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.4497] _cell_length_b [11...

4.631

0.026

0.1817

0.26

Mattergen

La2HoRh9

data_[La6Ho3Rh27] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ho 1.2300 1.7500 1.0410 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.2941] _cell_length_b [5.2941] _cell_length_c [26.8962] _...

10.446

0.03

0.4097

0.3

Mattergen

Ce2Hf3S8

data_[Ce4Hf6S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Hf 1.3000 1.5500 0.8500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.8730] _cell_length_b [7.4108] _cell_length_c [6.4020] _ce...

5.689

0.062

0.2232

0.62

Mattergen

Cu4Au

data_[Cu8Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [2.7078] _cell_length_b [3.5922] _cell_length_c [13.6685] _cell_angle_alpha [90.0000] _cell_...

11.269

0.024

0.442

0.24

Mattergen

Sm2Si4NiPt3

data_[Sm2Si4Ni1Pt3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Si 1.9000 1.1000 0.5400 Ni 1.9100 1.3500 0.7400 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.2012] _cell_length_b [4....

10.143

0.018

0.3979

0.18

Mattergen

NdH3Pd

data_[Nd1H3Pd1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 H 2.2000 0.2500 0.0000 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.7968] _cell_length_b [3.7968] _cell_length_c [3.7968] _cel...

7.697

0.098

0.3019

0.98

Mattergen

Li2ZnCu

data_[Li4Zn2Cu2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Zn 1.6500 1.3500 0.8800 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.2863] _cell_length_b [3.9526] _cell_length_c [8.3863] _ce...

4.355

0.052

0.1708

0.52

Mattergen

Li2DyMgAu2

data_[Li2Dy1Mg1Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Dy 1.2200 1.7500 1.1310 Mg 1.3100 1.5000 0.8600 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.4724] _cell_length_b [4....

8.576

0.048

0.3364

0.48

Mattergen

Nd3Zn2In

data_[Nd3Zn2In1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Zn 1.6500 1.3500 0.8800 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6417] _cell_length_b [3.6417] _cell_length_c [11.9234] ...

7.124

0.007

0.2794

0.07

Mattergen

Ba2HfPbO6

data_[Ba8Hf4Pb4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Hf 1.3000 1.5500 0.8500 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.5392] _cell_length_b [8.5...

8.068

0.005

0.3165

0.05

Mattergen

K4Pr3YSe8

data_[K12Pr9Y3Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Pr 1.1300 1.8500 1.0600 Y 1.2200 1.8000 1.0400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.6820] _cell_length_b [8.682...

4.288

0.005

0.1682

0.05

Mattergen

Mg2TlIn9

data_[Mg2Tl1In9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Tl 1.6200 1.9000 1.3325 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [P6/mmm] _cell_length_a [10.2666] _cell_length_b [10.2666] _cell_length_c [3.5860]...

6.526

0.059

0.256

0.59

Mattergen

BaTbNiSe3

data_[Ba4Tb4Ni4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Tb 1.1000 1.7500 0.9815 Ni 1.9100 1.3500 0.7400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.1294] _cell_length_b [14...

6.312

0.042

0.2476

0.42

Mattergen

Cs2Tl3AgCl6

data_[Cs4Tl6Ag2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Tl 1.6200 1.9000 1.3325 Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.0773] _cell_length_b [14...

4.615

0.043

0.181

0.43

Mattergen

Ti5CN4

data_[Ti15C3N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.0220] _cell_length_b [3.0220] _cell_length_c [36.9441] _cel...

5.241

0.004

0.2056

0.04

Mattergen

Dy2MgZrP4

data_[Dy2Mg1Zr1P4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Mg 1.3100 1.5000 0.8600 Zr 1.3300 1.5500 0.8600 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [6.7054] _cell_length_b [3.898...

5.614

0.077

0.2202

0.77

Mattergen

CeTm2Pb3

data_[Ce1Tm2Pb3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Tm 1.2500 1.7500 1.0950 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.5390] _cell_length_b [3.5390] _cell_length_c [13.4483] ...

10.841

0.076

0.4252

0.76

Mattergen

BaEr(GeAu)2

data_[Ba1Er1Ge2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Er 1.2400 1.7500 1.0300 Ge 2.0100 1.2500 0.7700 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.6031] _cell_length_b [4....

9.585

0.005

0.376

0.05

Mattergen

InAgSbSe4

data_[In4Ag4Sb4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Ag 1.9300 1.6000 1.0867 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [8.0475] _cell_length_b [8....

5.692

0.056

0.2233

0.56

Mattergen

Tb2PrZn3

data_[Tb2Pr1Zn3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Pr 1.1300 1.8500 1.0600 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6266] _cell_length_b [3.6266] _cell_length_c [10.9776] ...

7.533

0.003

0.2955

0.03

Mattergen

Tb3Pr2YHo6

data_[Tb6Pr4Y2Ho12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Pr 1.1300 1.8500 1.0600 Y 1.2200 1.8000 1.0400 Ho 1.2300 1.7500 1.0410 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.2002] _cell_length_b [10.6...

7.903

0.023

0.31

0.23

Mattergen

EuNiP

data_[Eu1Ni1P1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.8939] _cell_length_b [3.8939] _cell_length_c [4.2018] _cel...

7.272

0.007

0.2852

0.07

Mattergen

K2Pr(HgTe2)2

data_[K4Pr2Hg4Te8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Pr 1.1300 1.8500 1.0600 Hg 2.0000 1.5000 1.2450 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [17.2262] _cell_length_b [4.75...

5.703

0.088

0.2237

0.88

Mattergen

CsMgTl2Pb

data_[Cs2Mg2Tl4Pb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Mg 1.3100 1.5000 0.8600 Tl 1.6200 1.9000 1.3325 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [5.1806] _cell_length_b [5....

6.976

0.093

0.2736

0.93

Mattergen

NaSb2

data_[Na2Sb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.0476] _cell_length_b [4.0476] _cell_length_c [11.2052] _cell_angle_alpha [90.0000] _cel...

4.821

0.0

0.1891

0.0

Mattergen

LiCe(MgGa)2

data_[Li1Ce1Mg2Ga2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ce 1.1200 1.8500 1.0800 Mg 1.3100 1.5000 0.8600 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.6748] _cell_length_b [4....

4.386

0.037

0.172

0.37

Mattergen

CePr3(SmTe3)2

data_[Ce2Pr6Sm4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Pr 1.1300 1.8500 1.0600 Sm 1.1700 1.8500 1.2290 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [19.9198] _cell_length_b [4...

6.748

0.052

0.2647

0.52

Mattergen

La4P3

data_[La16P12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [I-43d] _cell_length_a [9.0012] _cell_length_b [9.0012] _cell_length_c [9.0012] _cell_angle_alpha [90.0000] _cell_...

5.907

0.003

0.2317

0.03

Mattergen

Gd2Al6Si4Au

data_[Gd6Al18Si12Au3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.2354] _cell_length_b [4...

5.01

0.0

0.1965

0.0

Mattergen

Rb2NdScTe4

data_[Rb2Nd1Sc1Te4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Nd 1.1400 1.8500 1.2765 Sc 1.3600 1.6000 0.8850 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.8073] _cell_length_b [4.4...

4.819

0.017

0.189

0.17

Mattergen

DyY2TmO6

data_[Dy3Y6Tm3O18] 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 Tm 1.2500 1.7500 1.0950 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [5.7966] _cell_length_b [5.7966] ...

6.833

0.052

0.268

0.52

Mattergen

K2MgZrS4

data_[K2Mg1Zr1S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mg 1.3100 1.5000 0.8600 Zr 1.3300 1.5500 0.8600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [6.7001] _cell_length_b [3.8579]...

2.837

0.03

0.1113

0.3

Mattergen

Cd7Au

data_[Cd28Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.8888] _cell_length_b [8.8888] _cell_length_c [8.8888] _cell_angle_alpha [90.0000] _cell...

9.305

0.038

0.365

0.38

Mattergen

NbO2

data_[Nb6O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [9.6417] _cell_length_b [4.0071] _cell_length_c [6.8119] _cell_angle_alpha [90.0000] _cell_angl...

5.14

0.077

0.2016

0.77

Mattergen

ZnCu6Sn

data_[Zn1Cu6Sn1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Cu 1.9000 1.3500 0.8200 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [5.3651] _cell_length_b [5.3651] _cell_length_c [4.2957] _c...

8.768

0.038

0.3439

0.38

Mattergen

Sr2Pt2Pb

data_[Sr4Pt4Pb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Pt 2.2800 1.3500 0.8050 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [4.4798] _cell_length_b [14.8024] _cell_length_c [4.1747] _c...

9.269

0.051

0.3636

0.51

Mattergen

K3H2F

data_[K6H4F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 H 2.2000 0.2500 0.0000 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.9378] _cell_length_b [5.5667] _cell_length_c [11.8617] _cell_an...

1.767

0.062

0.0693

0.62

Mattergen

RbCaPS4

data_[Rb2Ca2P2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ca 1.0000 1.8000 1.1400 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.5305] _cell_length_b [6.727...

2.498

0.0

0.098

0.0

Mattergen

K12InHg7

data_[K36In3Hg21] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 In 1.7800 1.5500 0.9400 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [17.9902] _cell_length_b [17.9902] _cell_length_c [10.6750] _...

3.31

0.031

0.1298

0.31

Mattergen

Ca2Au3

data_[Ca6Au9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.6877] _cell_length_b [4.6877] _cell_length_c [19.8733] _cell_angle_alpha [90.0000] _cell_...

8.839

0.07

0.3467

0.7

Mattergen

BaP3

data_[Ba4P12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.8135] _cell_length_b [7.7492] _cell_length_c [4.8002] _cell_angle_alpha [90.0000] _cell_a...

3.767

0.0

0.1478

0.0

Mattergen

Sm(FeBr4)2

data_[Sm2Fe4Br16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Fe 1.8300 1.4000 0.8525 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.8277] _cell_length_b [10.2873] _cell_length_c [6.6346] ...

3.433

0.02

0.1347

0.2

Mattergen

Na2ZnSn3Pt4

data_[Na2Zn1Sn3Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zn 1.6500 1.3500 0.8800 Sn 1.9600 1.4500 0.8300 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.1875] _cell_length_b [4....

9.81

0.071

0.3848

0.71

Mattergen

CeAlAgS4

data_[Ce4Al4Ag4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Al 1.6100 1.2500 0.6750 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.2966] _cell_length_b [8.08...

4.197

0.079

0.1646

0.79

Mattergen

TbPrYMg

data_[Tb1Pr1Y1Mg1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Pr 1.1300 1.8500 1.0600 Y 1.2200 1.8000 1.0400 Mg 1.3100 1.5000 0.8600 ] _symmetry_space_group_name_H-M [P4mm] _cell_length_a [3.6682] _cell_length_b [3.668...

5.601

0.046

0.2197

0.46

Mattergen

FePtRh6

data_[Fe1Pt1Rh6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Pt 2.2800 1.3500 0.8050 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [5.4911] _cell_length_b [5.4911] _cell_length_c [4.4095] _c...

12.523

0.065

0.4912

0.65

Mattergen

La2YTl

data_[La4Y2Tl2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Y 1.2200 1.8000 1.0400 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.8822] _cell_length_b [4.8822] _cell_length_c [10.5710] _c...

7.527

0.032

0.2952

0.32

Mattergen

La4GeS2Cl

data_[La8Ge2S4Cl2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.9586] _cell_length_b [5.9...

5.668

0.014

0.2223

0.14

Mattergen

Zn5In

data_[Zn20In4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.4840] _cell_length_b [7.4840] _cell_length_c [7.4840] _cell_angle_alpha [90.0000] _cell...

7.002

0.091

0.2747

0.91

Mattergen

TbNd5Tl6

data_[Tb2Nd10Tl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Nd 1.1400 1.8500 1.2765 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [5.5118] _cell_length_b [7.7620] _cell_length_c [16.5857] ...

9.859

0.006

0.3867

0.06

Mattergen

Cs3K4Rb

data_[Cs6K8Rb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [8.4043] _cell_length_b [12.2228] _cell_length_c [15.1217] _ce...

1.37

0.075

0.0537

0.75