c-bone/mattergen_den_ehull_1K · Datasets at Hugging Face

Database stringclasses 1 value	Reduced Formula stringlengths 2 13	CIF stringlengths 772 1.6k	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	Y2AlIn	data_[Y4Al2In2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Al 1.6100 1.2500 0.6750 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [7.0987] _cell_length_b [8.0408] _cell_length_c [3.5364] _cell...	5.259	0.043	0.2063	0.43
Mattergen	YScTlAu	data_[Y4Sc4Tl4Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.2369] _cell_length_b [7.23...	9.38	0.055	0.3679	0.55
Mattergen	TaV(PbO3)2	data_[Ta4V4Pb8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 V 1.6300 1.3500 0.7775 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 [8.0600] _cell_length_b [8.060...	9.416	0.049	0.3693	0.49
Mattergen	Ca2NiSn4Rh3	data_[Ca2Ni1Sn4Rh3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ni 1.9100 1.3500 0.7400 Sn 1.9600 1.4500 0.8300 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.5213] _cell_length_b [4....	7.01	0.046	0.275	0.46
Mattergen	Pr3(GaCu)4	data_[Pr6Ga8Cu8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.1579] _cell_length_b [4.3142] _cell_length_c [24.9832] _c...	7.083	0.016	0.2778	0.16
Mattergen	K4Tm3InO8	data_[K12Tm9In3O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Tm 1.2500 1.7500 1.0950 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.8061] _cell_length_b [6.806...	6.007	0.016	0.2356	0.16
Mattergen	Rb2Dy(BO3)2	data_[Rb6Dy3B6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Dy 1.2200 1.7500 1.1310 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.5623] _cell_length_b [5.5623...	4.346	0.0	0.1705	0.0
Mattergen	Cs2SrSnI6	data_[Cs8Sr4Sn4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Sr 0.9500 2.0000 1.3200 Sn 1.9600 1.4500 0.8300 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [12.8186] _cell_length_b [12...	3.89	0.04	0.1526	0.4
Mattergen	NdAlSi	data_[Nd2Al2Si2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [4.3105] _cell_length_b [4.1994] _cell_length_c [7.2848] _ce...	5.02	0.081	0.1969	0.81
Mattergen	TiTe	data_[Ti2Te2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.5851] _cell_length_b [3.5851] _cell_length_c [7.2713] _cell_angle_alpha [90.0000] _cell...	6.235	0.021	0.2446	0.21
Mattergen	Cs3Rb2VF9	data_[Cs3Rb2V1F9] 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 V 1.6300 1.3500 0.7775 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [7.0219] _cell_length_b [7.0219...	3.711	0.022	0.1456	0.22
Mattergen	CaCd(AgBr3)2	data_[Ca3Cd3Ag6Br18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Cd 1.6900 1.5500 1.0900 Ag 1.9300 1.6000 1.0867 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [7.2405] _cell_length_b [7.24...	4.728	0.044	0.1855	0.44
Mattergen	LiH4Pd2Rh	data_[Li2H8Pd4Rh2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 H 2.2000 0.2500 0.0000 Pd 2.2000 1.4000 0.8462 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [4.1552] _cell_length_b [4.15...	7.223	0.074	0.2833	0.74
Mattergen	Tb5Zr	data_[Tb10Zr2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Zr 1.3300 1.5500 0.8600 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [4.9536] _cell_length_b [14.8635] _cell_length_c [4.9432] _cell_angle_alpha [90.0000] _cell...	8.083	0.071	0.3171	0.71
Mattergen	Tl2CdHg	data_[Tl4Cd2Hg2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Cd 1.6900 1.5500 1.0900 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Cmm2] _cell_length_a [4.6980] _cell_length_b [5.1137] _cell_length_c [9.4783] _ce...	10.527	0.018	0.4129	0.18
Mattergen	MnIr3	data_[Mn4Ir12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.8270] _cell_length_b [3.8270] _cell_length_c [15.3181] _cell_angle_alpha [90.0000] _ce...	18.699	0.013	0.7335	0.13
Mattergen	Ca3(Sn2Hg)2	data_[Ca6Sn8Hg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sn 1.9600 1.4500 0.8300 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.0851] _cell_length_b [4.7986] _cell_length_c [9.2024] _c...	6.438	0.059	0.2525	0.59
Mattergen	LiNd2Ru	data_[Li1Nd2Ru1] 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 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.5088] _cell_length_b [3.5088] _cell_length_c [8.2946] _...	6.447	0.063	0.2529	0.63
Mattergen	LiLa(YIn2)2	data_[Li3La3Y6In12] 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 Y 1.2200 1.8000 1.0400 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.2874] _cell_length_b [5.28...	5.99	0.053	0.235	0.53
Mattergen	Ba2CdNi3F12	data_[Ba6Cd3Ni9F36] 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 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.2665] _cell_length_b [7.26...	5.023	0.083	0.197	0.83
Mattergen	RbBiSb	data_[Rb2Bi2Sb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Bi 2.0200 1.6000 1.0350 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [4.1713] _cell_length_b [4.1713] _cell_length_c [13.2658] _c...	5.988	0.069	0.2349	0.69
Mattergen	Zn2Ga2Cu2Ag	data_[Zn4Ga4Cu4Ag2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.6993] _cell_length_b [3.8...	7.901	0.075	0.3099	0.75
Mattergen	Ba2AlCdHg6	data_[Ba2Al1Cd1Hg6] 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 Cd 1.6900 1.5500 1.0900 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.2877] _cell_length_b [7.35...	8.61	0.096	0.3377	0.96
Mattergen	Rb2PrMnO4	data_[Rb4Pr2Mn2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pr 1.1300 1.8500 1.0600 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [6.3570] _cell_length_b [6.3570...	4.512	0.099	0.177	0.99
Mattergen	SrMgHg	data_[Sr2Mg2Hg2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Mg 1.3100 1.5000 0.8600 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.6602] _cell_length_b [4.6602] _cell_length_c [8.3806] _...	5.702	0.0	0.2237	0.0
Mattergen	Li4In3Au2	data_[Li8In6Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 In 1.7800 1.5500 0.9400 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.5170] _cell_length_b [4.4054] _cell_length_c [8.7988] _ce...	7.787	0.054	0.3054	0.54
Mattergen	CaPtAu2	data_[Ca1Pt1Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Pt 2.2800 1.3500 0.8050 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.2595] _cell_length_b [4.2595] _cell_length_c [4.1801] _...	13.774	0.081	0.5403	0.81
Mattergen	MgGaNiRu	data_[Mg4Ga4Ni4Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ga 1.8100 1.3000 0.7600 Ni 1.9100 1.3500 0.7400 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.0239] _cell_length_b [6....	7.712	0.04	0.3025	0.4
Mattergen	NdSmZnRh	data_[Nd2Sm2Zn2Rh2] 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 Zn 1.6500 1.3500 0.8800 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [4.4458] _cell_length_b [4.0...	7.941	0.037	0.3115	0.37
Mattergen	Cs3(BiO3)2	data_[Cs6Bi4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.2910] _cell_length_b [4.2910] _cell_length_c [26.7601] _...	6.152	0.051	0.2413	0.51
Mattergen	Tb2TlIr	data_[Tb6Tl3Ir3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Tl 1.6200 1.9000 1.3325 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.0421] _cell_length_b [4.0421] _cell_length_c [23.9187] _ce...	10.516	0.087	0.4125	0.87
Mattergen	Ba2Sn3HgAu4	data_[Ba2Sn3Hg1Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sn 1.9600 1.4500 0.8300 Hg 2.0000 1.5000 1.2450 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.9656] _cell_length_b [4....	9.817	0.006	0.3851	0.06
Mattergen	Ba6TlZn2	data_[Ba24Tl4Zn8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Tl 1.6200 1.9000 1.3325 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.3211] _cell_length_b [11.8914] _cell_length_c [12.0145]...	4.76	0.033	0.1867	0.33
Mattergen	Ba2Ca(IrO4)3	data_[Ba6Ca3Ir9O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ca 1.0000 1.8000 1.1400 Ir 2.2000 1.3500 0.7650 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.3302] _cell_length_b [7.33...	6.958	0.014	0.2729	0.14
Mattergen	Zr2Ir3	data_[Zr16Ir24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [8.9847] _cell_length_b [13.2784] _cell_length_c [6.0184] _cell_angle_alpha [90.0000] _cel...	14.045	0.087	0.5509	0.87
Mattergen	Pr2Sn3PdPt4	data_[Pr2Sn3Pd1Pt4] 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 Pd 2.2000 1.4000 0.8462 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.2647] _cell_length_b [4....	11.529	0.057	0.4522	0.57
Mattergen	Li3Tl(RhO3)2	data_[Li6Tl2Rh4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tl 1.6200 1.9000 1.3325 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.4906] _cell_length_b [9.72...	6.736	0.042	0.2642	0.42
Mattergen	Sr2InSb2	data_[Sr4In2Sb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 In 1.7800 1.5500 0.9400 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [8.4550] _cell_length_b [8.4550] _cell_length_c [4.6913] _...	5.284	0.089	0.2073	0.89
Mattergen	KBa3Cu	data_[K1Ba3Cu1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ba 0.8900 2.1500 1.4900 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [6.5288] _cell_length_b [6.5288] _cell_length_c [6.5288] _cel...	3.071	0.064	0.1205	0.64
Mattergen	LiMgCu2	data_[Li1Mg1Cu2] 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 [Pmmm] _cell_length_a [3.0269] _cell_length_b [3.2207] _cell_length_c [5.8227] _ce...	4.632	0.09	0.1817	0.9
Mattergen	RbCa2(HgPb)2	data_[Rb3Ca6Hg6Pb6] 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 Hg 2.0000 1.5000 1.2450 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.2519] _cell_length_b [5.2...	6.55	0.08	0.2569	0.8
Mattergen	BiSBr	data_[Bi1S1Br1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [4.1027] _cell_length_b [4.1027] _cell_length_c [7.1141] _cell...	5.139	0.015	0.2016	0.15
Mattergen	Sr2CuSi4Ir3	data_[Sr2Cu1Si4Ir3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cu 1.9000 1.3500 0.8200 Si 1.9000 1.1000 0.5400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.2466] _cell_length_b [4....	8.568	0.078	0.3361	0.78
Mattergen	La2ZnSi3Pt4	data_[La2Zn1Si3Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Zn 1.6500 1.3500 0.8800 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 [4.3320] _cell_length_b [4....	10.682	0.0	0.419	0.0
Mattergen	Na2Nb3O8	data_[Na4Nb6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.7948] _cell_length_b [6.3387] _cell_length_c [5.2554] _ce...	4.105	0.075	0.161	0.75
Mattergen	Ce4CSI2	data_[Ce4C1S1I2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [6.9751] _cell_length_b [3.9472] _...	6.718	0.057	0.2635	0.57
Mattergen	LiZnIO4	data_[Li4Zn4I4O16] 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 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [5.8863] _cell_length_b [11.010...	4.289	0.097	0.1682	0.97
Mattergen	ScHRh3	data_[Sc4H4Rh12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 H 2.2000 0.2500 0.0000 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.7204] _cell_length_b [5.7512] _cell_length_c [4.5491] _cel...	9.266	0.051	0.3635	0.51
Mattergen	Sr2AgRh	data_[Sr4Ag2Rh2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ag 1.9300 1.6000 1.0867 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.2040] _cell_length_b [4.5566] _cell_length_c [8.6748] _...	5.582	0.03	0.219	0.3
Mattergen	TbMnPH	data_[Tb2Mn2P2H2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.7159] _cell_length_b [3.715...	7.422	0.0	0.2911	0.0
Mattergen	Li2NiRu	data_[Li6Ni3Ru3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ni 1.9100 1.3500 0.7400 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [2.5938] _cell_length_b [2.5938] _cell_length_c [26.2270] _c...	5.661	0.1	0.2221	1.0
Mattergen	K2AsAuCl6	data_[K8As4Au4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 As 2.1800 1.1500 0.6600 Au 2.5400 1.3500 1.0700 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.3888] _cell_length_b [10...	3.334	0.095	0.1308	0.95
Mattergen	ZnCu2PbS4	data_[Zn2Cu4Pb2S8] 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 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [5.5689] _cell_length_b [5.56...	5.163	0.074	0.2025	0.74
Mattergen	CaNi2Rh3	data_[Ca1Ni2Rh3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ni 1.9100 1.3500 0.7400 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P6/mmm] _cell_length_a [5.2440] _cell_length_b [5.2440] _cell_length_c [4.0358] _...	8.054	0.064	0.3159	0.64
Mattergen	La8Ga3CuI4	data_[La24Ga9Cu3I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.9359] _cell_length_b [8.9...	5.952	0.07	0.2335	0.7
Mattergen	Er4Si3Pt	data_[Er4Si3Pt1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Si 1.9000 1.1000 0.5400 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Pmm2] _cell_length_a [3.9004] _cell_length_b [4.1580] _cell_length_c [10.6134] _c...	9.149	0.001	0.3589	0.01
Mattergen	InSiSe3	data_[In2Si2Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Si 1.9000 1.1000 0.5400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-31m] _cell_length_a [6.5972] _cell_length_b [6.5972] _cell_length_c [7.3669] _c...	4.542	0.0	0.1782	0.0
Mattergen	LaNiPt	data_[La1Ni1Pt1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ni 1.9100 1.3500 0.7400 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.2501] _cell_length_b [4.2501] _cell_length_c [4.0704] _c...	10.241	0.069	0.4017	0.69
Mattergen	MgPd5S	data_[Mg1Pd5S1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Pd 2.2000 1.4000 0.8462 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.9780] _cell_length_b [3.9780] _cell_length_c [6.9358] _ce...	8.903	0.003	0.3492	0.03
Mattergen	LaErTm	data_[La4Er4Tm4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Er 1.2400 1.7500 1.0300 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.5487] _cell_length_b [20.1946] _cell_length_c [5.4378] _c...	8.098	0.04	0.3176	0.4
Mattergen	Pr2NdPd	data_[Pr2Nd1Pd1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Nd 1.1400 1.8500 1.2765 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7011] _cell_length_b [3.7011] _cell_length_c [8.8203] _...	7.318	0.09	0.287	0.9
Mattergen	Cu2PdAu2	data_[Cu8Pd4Au8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Pd 2.2000 1.4000 0.8462 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [4.2101] _cell_length_b [13.5683] _cell_length_c [5.3800] ...	13.561	0.055	0.5319	0.55
Mattergen	TbEr2InN	data_[Tb1Er2In1N1] 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 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.7686] _cell_length_b [4.7...	9.38	0.005	0.3679	0.05
Mattergen	AlGaPd	data_[Al2Ga2Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Ga 1.8100 1.3000 0.7600 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [3.3936] _cell_length_b [3.3936] _cell_length_c [8.1264] _ce...	7.208	0.094	0.2827	0.94
Mattergen	La3Pr3SmS8	data_[La9Pr9Sm3S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Pr 1.1300 1.8500 1.0600 Sm 1.1700 1.8500 1.2290 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.2051] _cell_length_b [8.20...	5.249	0.001	0.2059	0.01
Mattergen	TmMgZnAu	data_[Tm4Mg4Zn4Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.8189] _cell_length_b [6....	9.545	0.027	0.3744	0.27
Mattergen	Ce2DyZrAs4	data_[Ce2Dy1Zr1As4] 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 Zr 1.3300 1.5500 0.8600 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.1045] _cell_length_b [4.1...	7.09	0.009	0.2781	0.09
Mattergen	CeSbHRu	data_[Ce1Sb1H1Ru1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Sb 2.0500 1.4500 0.8300 H 2.2000 0.2500 0.0000 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.6424] _cell_length_b [4.64...	8.76	0.013	0.3436	0.13
Mattergen	CsCu2GeI6	data_[Cs4Cu8Ge4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cu 1.9000 1.3500 0.8200 Ge 2.0100 1.2500 0.7700 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.3405] _cell_length_b [14....	4.123	0.076	0.1617	0.76
Mattergen	PrYTmCu	data_[Pr1Y1Tm1Cu1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Y 1.2200 1.8000 1.0400 Tm 1.2500 1.7500 1.0950 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [P4mm] _cell_length_a [3.5058] _cell_length_b [3.505...	7.263	0.046	0.2849	0.46
Mattergen	Li2Cd2Ag3	data_[Li4Cd4Ag6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cd 1.6900 1.5500 1.0900 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.2443] _cell_length_b [4.1732] _cell_length_c [6.7683] _ce...	7.257	0.012	0.2847	0.12
Mattergen	CsMgSbTe3	data_[Cs2Mg2Sb2Te6] 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 Sb 2.0500 1.4500 0.8300 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [10.4059] _cell_length_b [...	4.432	0.0	0.1738	0.0
Mattergen	Nd4Dy2Ho2Er	data_[Nd8Dy4Ho4Er2] 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 Ho 1.2300 1.7500 1.0410 Er 1.2400 1.7500 1.0300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [15.2653] _cell_length_b [5....	7.894	0.029	0.3096	0.29
Mattergen	Nb6Al2Ni	data_[Nb6Al2Ni1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.2056] _cell_length_b [7.2056] _cell_length_c [3.4466] _c...	7.18	0.096	0.2816	0.96
Mattergen	DySbPd	data_[Dy4Sb4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Sb 2.0500 1.4500 0.8300 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.6022] _cell_length_b [6.6022] _cell_length_c [6.6022] _c...	9.017	0.0	0.3537	0.0
Mattergen	CrMoAs2	data_[Cr2Mo2As4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [3.4064] _cell_length_b [6.3641] _cell_length_c [5.9046] _...	7.726	0.052	0.3031	0.52
Mattergen	SrZn2InAu	data_[Sr2Zn4In2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Zn 1.6500 1.3500 0.8800 In 1.7800 1.5500 0.9400 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [4.3402] _cell_length_b [4.3...	7.631	0.026	0.2993	0.26
Mattergen	Nd2Y3Er6Zr	data_[Nd4Y6Er12Zr2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Y 1.2200 1.8000 1.0400 Er 1.2400 1.7500 1.0300 Zr 1.3300 1.5500 0.8600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.1232] _cell_length_b [10.5...	7.351	0.062	0.2883	0.62
Mattergen	SnRhPb	data_[Sn4Rh4Pb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 Rh 2.2800 1.3500 0.7450 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [6.6370] _cell_length_b [6.6370] _cell_length_c [5.9038] _...	10.952	0.09	0.4296	0.9
Mattergen	Sn2HgPb5	data_[Sn8Hg4Pb20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 Hg 2.0000 1.5000 1.2450 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [8.7199] _cell_length_b [8.7199] _cell_length_c [12.9380]...	9.952	0.078	0.3904	0.78
Mattergen	PrTiRh	data_[Pr2Ti2Rh2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ti 1.5400 1.4000 0.8517 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.4523] _cell_length_b [4.4523] _cell_length_c [6.7381] _...	7.252	0.034	0.2845	0.34
Mattergen	YTmPtRh	data_[Y4Tm4Pt4Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Tm 1.2500 1.7500 1.0950 Pt 2.2800 1.3500 0.8050 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.8975] _cell_length_b [6.89...	11.251	0.061	0.4413	0.61
Mattergen	ErLuAgPd	data_[Er4Lu4Ag4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Lu 1.2700 1.7500 1.0010 Ag 1.9300 1.6000 1.0867 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.0356] _cell_length_b [7....	10.614	0.021	0.4163	0.21
Mattergen	Sc2Co3Pd	data_[Sc4Co6Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Co 1.8800 1.3500 0.7683 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.8813] _cell_length_b [4.8813] _cell_length_c [8.6010]...	6.982	0.062	0.2739	0.62
Mattergen	Tb3Pr2DyBi6	data_[Tb6Pr4Dy2Bi12] 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 Dy 1.2200 1.7500 1.1310 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [19.7326] _cell_length_b [4...	9.102	0.005	0.357	0.05
Mattergen	CsNa2SbSe4	data_[Cs2Na4Sb2Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [7.7525] _cell_length_b [7....	3.629	0.0	0.1423	0.0
Mattergen	Er(Mn3As2)2	data_[Er1Mn6As4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [7.2003] _cell_length_b [7.2003] _cell_length_c [3.6210] _c...	8.136	0.047	0.3191	0.47
Mattergen	Pr2DyY4Sc	data_[Pr2Dy1Y4Sc1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Dy 1.2200 1.7500 1.1310 Y 1.2200 1.8000 1.0400 Sc 1.3600 1.6000 0.8850 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [5.0556] _cell_length_b [5.0...	5.435	0.045	0.2132	0.45
Mattergen	Cs2Ho2PbO6	data_[Cs4Ho4Pb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ho 1.2300 1.7500 1.0410 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.0129] _cell_length_b [10.4...	6.763	0.084	0.2653	0.84
Mattergen	Hg4PBr3	data_[Hg8P2Br6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 P 2.1900 1.0000 0.5500 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [11.4110] _cell_length_b [7.5082] _cell_length_c [7.6778] _c...	5.418	0.066	0.2125	0.66
Mattergen	Al(AgAu)2	data_[Al4Ag8Au8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Ag 1.9300 1.6000 1.0867 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [4.6014] _cell_length_b [14.7493] _cell_length_c [5.2953] ...	11.767	0.048	0.4616	0.48
Mattergen	Fe(CoSe2)2	data_[Fe2Co4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.1987] _cell_length_b [3.5511] _cell_length_c [6.1994] _c...	6.977	0.04	0.2737	0.4
Mattergen	Ca3Ce2NdN6	data_[Ca6Ce4Nd2N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ce 1.1200 1.8500 1.0800 Nd 1.1400 1.8500 1.2765 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.2190] _cell_length_b [10.7...	5.398	0.055	0.2117	0.55
Mattergen	Ca2AlHg2	data_[Ca8Al4Hg8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.5256] _cell_length_b [4.5485] _cell_length_c [11.3314] _...	6.384	0.049	0.2504	0.49
Mattergen	KAsI6	data_[K1As1I6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 As 2.1800 1.1500 0.6600 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.1607] _cell_length_b [7.3779] _cell_length_c [9.1361] _cell_an...	3.608	0.098	0.1415	0.98
Mattergen	Sm2CuPt	data_[Sm2Cu1Pt1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Cu 1.9000 1.3500 0.8200 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [5.0050] _cell_length_b [5.0050] _cell_length_c [3.5838] _...	10.346	0.077	0.4058	0.77
Mattergen	Sr2MnZn3Ge4	data_[Sr2Mn1Zn3Ge4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Mn 1.5500 1.4000 0.6483 Zn 1.6500 1.3500 0.8800 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.4172] _cell_length_b [4....	5.721	0.065	0.2244	0.65
Mattergen	V2O3	data_[V12O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.6198] _cell_length_b [3.0818] _cell_length_c [7.6215] _cell_angle_alpha [90.0000] _cell_an...	4.724	0.083	0.1853	0.83
Mattergen	Pr2SmCu2	data_[Pr8Sm4Cu8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Sm 1.1700 1.8500 1.2290 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.0079] _cell_length_b [4.6895] _cell_length_c [10.5502] _...	7.293	0.082	0.2861	0.82
Mattergen	SrMn(AgS2)2	data_[Sr2Mn2Ag4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Mn 1.5500 1.4000 0.6483 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I222] _cell_length_a [6.7514] _cell_length_b [6.928...	4.588	0.092	0.18	0.92

Mattergen

Y2AlIn

data_[Y4Al2In2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Al 1.6100 1.2500 0.6750 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [7.0987] _cell_length_b [8.0408] _cell_length_c [3.5364] _cell...

5.259

0.043

0.2063

0.43

Mattergen

YScTlAu

data_[Y4Sc4Tl4Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.2369] _cell_length_b [7.23...

9.38

0.055

0.3679

0.55

Mattergen

TaV(PbO3)2

data_[Ta4V4Pb8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 V 1.6300 1.3500 0.7775 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 [8.0600] _cell_length_b [8.060...

9.416

0.049

0.3693

0.49

Mattergen

Ca2NiSn4Rh3

data_[Ca2Ni1Sn4Rh3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ni 1.9100 1.3500 0.7400 Sn 1.9600 1.4500 0.8300 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.5213] _cell_length_b [4....

7.01

0.046

0.275

0.46

Mattergen

Pr3(GaCu)4

data_[Pr6Ga8Cu8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.1579] _cell_length_b [4.3142] _cell_length_c [24.9832] _c...

7.083

0.016

0.2778

0.16

Mattergen

K4Tm3InO8

data_[K12Tm9In3O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Tm 1.2500 1.7500 1.0950 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.8061] _cell_length_b [6.806...

6.007

0.016

0.2356

0.16

Mattergen

Rb2Dy(BO3)2

data_[Rb6Dy3B6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Dy 1.2200 1.7500 1.1310 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.5623] _cell_length_b [5.5623...

4.346

0.0

0.1705

0.0

Mattergen

Cs2SrSnI6

data_[Cs8Sr4Sn4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Sr 0.9500 2.0000 1.3200 Sn 1.9600 1.4500 0.8300 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [12.8186] _cell_length_b [12...

3.89

0.04

0.1526

0.4

Mattergen

NdAlSi

data_[Nd2Al2Si2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [4.3105] _cell_length_b [4.1994] _cell_length_c [7.2848] _ce...

5.02

0.081

0.1969

0.81

Mattergen

TiTe

data_[Ti2Te2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.5851] _cell_length_b [3.5851] _cell_length_c [7.2713] _cell_angle_alpha [90.0000] _cell...

6.235

0.021

0.2446

0.21

Mattergen

Cs3Rb2VF9

data_[Cs3Rb2V1F9] 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 V 1.6300 1.3500 0.7775 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [7.0219] _cell_length_b [7.0219...

3.711

0.022

0.1456

0.22

Mattergen

CaCd(AgBr3)2

data_[Ca3Cd3Ag6Br18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Cd 1.6900 1.5500 1.0900 Ag 1.9300 1.6000 1.0867 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [7.2405] _cell_length_b [7.24...

4.728

0.044

0.1855

0.44

Mattergen

LiH4Pd2Rh

data_[Li2H8Pd4Rh2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 H 2.2000 0.2500 0.0000 Pd 2.2000 1.4000 0.8462 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [4.1552] _cell_length_b [4.15...

7.223

0.074

0.2833

0.74

Mattergen

Tb5Zr

data_[Tb10Zr2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Zr 1.3300 1.5500 0.8600 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [4.9536] _cell_length_b [14.8635] _cell_length_c [4.9432] _cell_angle_alpha [90.0000] _cell...

8.083

0.071

0.3171

0.71

Mattergen

Tl2CdHg

data_[Tl4Cd2Hg2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Cd 1.6900 1.5500 1.0900 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Cmm2] _cell_length_a [4.6980] _cell_length_b [5.1137] _cell_length_c [9.4783] _ce...

10.527

0.018

0.4129

0.18

Mattergen

MnIr3

data_[Mn4Ir12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.8270] _cell_length_b [3.8270] _cell_length_c [15.3181] _cell_angle_alpha [90.0000] _ce...

18.699

0.013

0.7335

0.13

Mattergen

Ca3(Sn2Hg)2

data_[Ca6Sn8Hg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sn 1.9600 1.4500 0.8300 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.0851] _cell_length_b [4.7986] _cell_length_c [9.2024] _c...

6.438

0.059

0.2525

0.59

Mattergen

LiNd2Ru

data_[Li1Nd2Ru1] 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 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.5088] _cell_length_b [3.5088] _cell_length_c [8.2946] _...

6.447

0.063

0.2529

0.63

Mattergen

LiLa(YIn2)2

data_[Li3La3Y6In12] 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 Y 1.2200 1.8000 1.0400 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.2874] _cell_length_b [5.28...

5.99

0.053

0.235

0.53

Mattergen

Ba2CdNi3F12

data_[Ba6Cd3Ni9F36] 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 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.2665] _cell_length_b [7.26...

5.023

0.083

0.197

0.83

Mattergen

RbBiSb

data_[Rb2Bi2Sb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Bi 2.0200 1.6000 1.0350 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [4.1713] _cell_length_b [4.1713] _cell_length_c [13.2658] _c...

5.988

0.069

0.2349

0.69

Mattergen

Zn2Ga2Cu2Ag

data_[Zn4Ga4Cu4Ag2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.6993] _cell_length_b [3.8...

7.901

0.075

0.3099

0.75

Mattergen

Ba2AlCdHg6

data_[Ba2Al1Cd1Hg6] 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 Cd 1.6900 1.5500 1.0900 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.2877] _cell_length_b [7.35...

8.61

0.096

0.3377

0.96

Mattergen

Rb2PrMnO4

data_[Rb4Pr2Mn2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pr 1.1300 1.8500 1.0600 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [6.3570] _cell_length_b [6.3570...

4.512

0.099

0.177

0.99

Mattergen

SrMgHg

data_[Sr2Mg2Hg2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Mg 1.3100 1.5000 0.8600 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.6602] _cell_length_b [4.6602] _cell_length_c [8.3806] _...

5.702

0.0

0.2237

0.0

Mattergen

Li4In3Au2

data_[Li8In6Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 In 1.7800 1.5500 0.9400 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.5170] _cell_length_b [4.4054] _cell_length_c [8.7988] _ce...

7.787

0.054

0.3054

0.54

Mattergen

CaPtAu2

data_[Ca1Pt1Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Pt 2.2800 1.3500 0.8050 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.2595] _cell_length_b [4.2595] _cell_length_c [4.1801] _...

13.774

0.081

0.5403

0.81

Mattergen

MgGaNiRu

data_[Mg4Ga4Ni4Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ga 1.8100 1.3000 0.7600 Ni 1.9100 1.3500 0.7400 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.0239] _cell_length_b [6....

7.712

0.04

0.3025

0.4

Mattergen

NdSmZnRh

data_[Nd2Sm2Zn2Rh2] 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 Zn 1.6500 1.3500 0.8800 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [4.4458] _cell_length_b [4.0...

7.941

0.037

0.3115

0.37

Mattergen

Cs3(BiO3)2

data_[Cs6Bi4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.2910] _cell_length_b [4.2910] _cell_length_c [26.7601] _...

6.152

0.051

0.2413

0.51

Mattergen

Tb2TlIr

data_[Tb6Tl3Ir3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Tl 1.6200 1.9000 1.3325 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.0421] _cell_length_b [4.0421] _cell_length_c [23.9187] _ce...

10.516

0.087

0.4125

0.87

Mattergen

Ba2Sn3HgAu4

data_[Ba2Sn3Hg1Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sn 1.9600 1.4500 0.8300 Hg 2.0000 1.5000 1.2450 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.9656] _cell_length_b [4....

9.817

0.006

0.3851

0.06

Mattergen

Ba6TlZn2

data_[Ba24Tl4Zn8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Tl 1.6200 1.9000 1.3325 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.3211] _cell_length_b [11.8914] _cell_length_c [12.0145]...

4.76

0.033

0.1867

0.33

Mattergen

Ba2Ca(IrO4)3

data_[Ba6Ca3Ir9O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ca 1.0000 1.8000 1.1400 Ir 2.2000 1.3500 0.7650 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.3302] _cell_length_b [7.33...

6.958

0.014

0.2729

0.14

Mattergen

Zr2Ir3

data_[Zr16Ir24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [8.9847] _cell_length_b [13.2784] _cell_length_c [6.0184] _cell_angle_alpha [90.0000] _cel...

14.045

0.087

0.5509

0.87

Mattergen

Pr2Sn3PdPt4

data_[Pr2Sn3Pd1Pt4] 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 Pd 2.2000 1.4000 0.8462 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.2647] _cell_length_b [4....

11.529

0.057

0.4522

0.57

Mattergen

Li3Tl(RhO3)2

data_[Li6Tl2Rh4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tl 1.6200 1.9000 1.3325 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.4906] _cell_length_b [9.72...

6.736

0.042

0.2642

0.42

Mattergen

Sr2InSb2

data_[Sr4In2Sb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 In 1.7800 1.5500 0.9400 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [8.4550] _cell_length_b [8.4550] _cell_length_c [4.6913] _...

5.284

0.089

0.2073

0.89

Mattergen

KBa3Cu

data_[K1Ba3Cu1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ba 0.8900 2.1500 1.4900 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [6.5288] _cell_length_b [6.5288] _cell_length_c [6.5288] _cel...

3.071

0.064

0.1205

0.64

Mattergen

LiMgCu2

data_[Li1Mg1Cu2] 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 [Pmmm] _cell_length_a [3.0269] _cell_length_b [3.2207] _cell_length_c [5.8227] _ce...

4.632

0.09

0.1817

0.9

Mattergen

RbCa2(HgPb)2

data_[Rb3Ca6Hg6Pb6] 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 Hg 2.0000 1.5000 1.2450 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.2519] _cell_length_b [5.2...

6.55

0.08

0.2569

0.8

Mattergen

BiSBr

data_[Bi1S1Br1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [4.1027] _cell_length_b [4.1027] _cell_length_c [7.1141] _cell...

5.139

0.015

0.2016

0.15

Mattergen

Sr2CuSi4Ir3

data_[Sr2Cu1Si4Ir3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cu 1.9000 1.3500 0.8200 Si 1.9000 1.1000 0.5400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.2466] _cell_length_b [4....

8.568

0.078

0.3361

0.78

Mattergen

La2ZnSi3Pt4

data_[La2Zn1Si3Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Zn 1.6500 1.3500 0.8800 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 [4.3320] _cell_length_b [4....

10.682

0.0

0.419

0.0

Mattergen

Na2Nb3O8

data_[Na4Nb6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.7948] _cell_length_b [6.3387] _cell_length_c [5.2554] _ce...

4.105

0.075

0.161

0.75

Mattergen

Ce4CSI2

data_[Ce4C1S1I2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [6.9751] _cell_length_b [3.9472] _...

6.718

0.057

0.2635

0.57

Mattergen

LiZnIO4

data_[Li4Zn4I4O16] 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 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [5.8863] _cell_length_b [11.010...

4.289

0.097

0.1682

0.97

Mattergen

ScHRh3

data_[Sc4H4Rh12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 H 2.2000 0.2500 0.0000 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.7204] _cell_length_b [5.7512] _cell_length_c [4.5491] _cel...

9.266

0.051

0.3635

0.51

Mattergen

Sr2AgRh

data_[Sr4Ag2Rh2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ag 1.9300 1.6000 1.0867 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.2040] _cell_length_b [4.5566] _cell_length_c [8.6748] _...

5.582

0.03

0.219

0.3

Mattergen

TbMnPH

data_[Tb2Mn2P2H2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.7159] _cell_length_b [3.715...

7.422

0.0

0.2911

0.0

Mattergen

Li2NiRu

data_[Li6Ni3Ru3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ni 1.9100 1.3500 0.7400 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [2.5938] _cell_length_b [2.5938] _cell_length_c [26.2270] _c...

5.661

0.1

0.2221

1.0

Mattergen

K2AsAuCl6

data_[K8As4Au4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 As 2.1800 1.1500 0.6600 Au 2.5400 1.3500 1.0700 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.3888] _cell_length_b [10...

3.334

0.095

0.1308

0.95

Mattergen

ZnCu2PbS4

data_[Zn2Cu4Pb2S8] 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 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [5.5689] _cell_length_b [5.56...

5.163

0.074

0.2025

0.74

Mattergen

CaNi2Rh3

data_[Ca1Ni2Rh3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ni 1.9100 1.3500 0.7400 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P6/mmm] _cell_length_a [5.2440] _cell_length_b [5.2440] _cell_length_c [4.0358] _...

8.054

0.064

0.3159

0.64

Mattergen

La8Ga3CuI4

data_[La24Ga9Cu3I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.9359] _cell_length_b [8.9...

5.952

0.07

0.2335

0.7

Mattergen

Er4Si3Pt

data_[Er4Si3Pt1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Si 1.9000 1.1000 0.5400 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Pmm2] _cell_length_a [3.9004] _cell_length_b [4.1580] _cell_length_c [10.6134] _c...

9.149

0.001

0.3589

0.01

Mattergen

InSiSe3

data_[In2Si2Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Si 1.9000 1.1000 0.5400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-31m] _cell_length_a [6.5972] _cell_length_b [6.5972] _cell_length_c [7.3669] _c...

4.542

0.0

0.1782

0.0

Mattergen

LaNiPt

data_[La1Ni1Pt1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ni 1.9100 1.3500 0.7400 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.2501] _cell_length_b [4.2501] _cell_length_c [4.0704] _c...

10.241

0.069

0.4017

0.69

Mattergen

MgPd5S

data_[Mg1Pd5S1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Pd 2.2000 1.4000 0.8462 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.9780] _cell_length_b [3.9780] _cell_length_c [6.9358] _ce...

8.903

0.003

0.3492

0.03

Mattergen

LaErTm

data_[La4Er4Tm4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Er 1.2400 1.7500 1.0300 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.5487] _cell_length_b [20.1946] _cell_length_c [5.4378] _c...

8.098

0.04

0.3176

0.4

Mattergen

Pr2NdPd

data_[Pr2Nd1Pd1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Nd 1.1400 1.8500 1.2765 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7011] _cell_length_b [3.7011] _cell_length_c [8.8203] _...

7.318

0.09

0.287

0.9

Mattergen

Cu2PdAu2

data_[Cu8Pd4Au8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Pd 2.2000 1.4000 0.8462 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [4.2101] _cell_length_b [13.5683] _cell_length_c [5.3800] ...

13.561

0.055

0.5319

0.55

Mattergen

TbEr2InN

data_[Tb1Er2In1N1] 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 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.7686] _cell_length_b [4.7...

9.38

0.005

0.3679

0.05

Mattergen

AlGaPd

data_[Al2Ga2Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Ga 1.8100 1.3000 0.7600 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [3.3936] _cell_length_b [3.3936] _cell_length_c [8.1264] _ce...

7.208

0.094

0.2827

0.94

Mattergen

La3Pr3SmS8

data_[La9Pr9Sm3S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Pr 1.1300 1.8500 1.0600 Sm 1.1700 1.8500 1.2290 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.2051] _cell_length_b [8.20...

5.249

0.001

0.2059

0.01

Mattergen

TmMgZnAu

data_[Tm4Mg4Zn4Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.8189] _cell_length_b [6....

9.545

0.027

0.3744

0.27

Mattergen

Ce2DyZrAs4

data_[Ce2Dy1Zr1As4] 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 Zr 1.3300 1.5500 0.8600 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.1045] _cell_length_b [4.1...

7.09

0.009

0.2781

0.09

Mattergen

CeSbHRu

data_[Ce1Sb1H1Ru1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Sb 2.0500 1.4500 0.8300 H 2.2000 0.2500 0.0000 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.6424] _cell_length_b [4.64...

8.76

0.013

0.3436

0.13

Mattergen

CsCu2GeI6

data_[Cs4Cu8Ge4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cu 1.9000 1.3500 0.8200 Ge 2.0100 1.2500 0.7700 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.3405] _cell_length_b [14....

4.123

0.076

0.1617

0.76

Mattergen

PrYTmCu

data_[Pr1Y1Tm1Cu1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Y 1.2200 1.8000 1.0400 Tm 1.2500 1.7500 1.0950 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [P4mm] _cell_length_a [3.5058] _cell_length_b [3.505...

7.263

0.046

0.2849

0.46

Mattergen

Li2Cd2Ag3

data_[Li4Cd4Ag6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cd 1.6900 1.5500 1.0900 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.2443] _cell_length_b [4.1732] _cell_length_c [6.7683] _ce...

7.257

0.012

0.2847

0.12

Mattergen

CsMgSbTe3

data_[Cs2Mg2Sb2Te6] 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 Sb 2.0500 1.4500 0.8300 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [10.4059] _cell_length_b [...

4.432

0.0

0.1738

0.0

Mattergen

Nd4Dy2Ho2Er

data_[Nd8Dy4Ho4Er2] 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 Ho 1.2300 1.7500 1.0410 Er 1.2400 1.7500 1.0300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [15.2653] _cell_length_b [5....

7.894

0.029

0.3096

0.29

Mattergen

Nb6Al2Ni

data_[Nb6Al2Ni1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.2056] _cell_length_b [7.2056] _cell_length_c [3.4466] _c...

7.18

0.096

0.2816

0.96

Mattergen

DySbPd

data_[Dy4Sb4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Sb 2.0500 1.4500 0.8300 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.6022] _cell_length_b [6.6022] _cell_length_c [6.6022] _c...

9.017

0.0

0.3537

0.0

Mattergen

CrMoAs2

data_[Cr2Mo2As4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Mo 2.1600 1.4500 0.7750 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [3.4064] _cell_length_b [6.3641] _cell_length_c [5.9046] _...

7.726

0.052

0.3031

0.52

Mattergen

SrZn2InAu

data_[Sr2Zn4In2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Zn 1.6500 1.3500 0.8800 In 1.7800 1.5500 0.9400 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [4.3402] _cell_length_b [4.3...

7.631

0.026

0.2993

0.26

Mattergen

Nd2Y3Er6Zr

data_[Nd4Y6Er12Zr2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Y 1.2200 1.8000 1.0400 Er 1.2400 1.7500 1.0300 Zr 1.3300 1.5500 0.8600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.1232] _cell_length_b [10.5...

7.351

0.062

0.2883

0.62

Mattergen

SnRhPb

data_[Sn4Rh4Pb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 Rh 2.2800 1.3500 0.7450 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [6.6370] _cell_length_b [6.6370] _cell_length_c [5.9038] _...

10.952

0.09

0.4296

0.9

Mattergen

Sn2HgPb5

data_[Sn8Hg4Pb20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 Hg 2.0000 1.5000 1.2450 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [8.7199] _cell_length_b [8.7199] _cell_length_c [12.9380]...

9.952

0.078

0.3904

0.78

Mattergen

PrTiRh

data_[Pr2Ti2Rh2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ti 1.5400 1.4000 0.8517 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.4523] _cell_length_b [4.4523] _cell_length_c [6.7381] _...

7.252

0.034

0.2845

0.34

Mattergen

YTmPtRh

data_[Y4Tm4Pt4Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Tm 1.2500 1.7500 1.0950 Pt 2.2800 1.3500 0.8050 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.8975] _cell_length_b [6.89...

11.251

0.061

0.4413

0.61

Mattergen

ErLuAgPd

data_[Er4Lu4Ag4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Lu 1.2700 1.7500 1.0010 Ag 1.9300 1.6000 1.0867 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.0356] _cell_length_b [7....

10.614

0.021

0.4163

0.21

Mattergen

Sc2Co3Pd

data_[Sc4Co6Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Co 1.8800 1.3500 0.7683 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.8813] _cell_length_b [4.8813] _cell_length_c [8.6010]...

6.982

0.062

0.2739

0.62

Mattergen

Tb3Pr2DyBi6

data_[Tb6Pr4Dy2Bi12] 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 Dy 1.2200 1.7500 1.1310 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [19.7326] _cell_length_b [4...

9.102

0.005

0.357

0.05

Mattergen

CsNa2SbSe4

data_[Cs2Na4Sb2Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [7.7525] _cell_length_b [7....

3.629

0.0

0.1423

0.0

Mattergen

Er(Mn3As2)2

data_[Er1Mn6As4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [7.2003] _cell_length_b [7.2003] _cell_length_c [3.6210] _c...

8.136

0.047

0.3191

0.47

Mattergen

Pr2DyY4Sc

data_[Pr2Dy1Y4Sc1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Dy 1.2200 1.7500 1.1310 Y 1.2200 1.8000 1.0400 Sc 1.3600 1.6000 0.8850 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [5.0556] _cell_length_b [5.0...

5.435

0.045

0.2132

0.45

Mattergen

Cs2Ho2PbO6

data_[Cs4Ho4Pb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ho 1.2300 1.7500 1.0410 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.0129] _cell_length_b [10.4...

6.763

0.084

0.2653

0.84

Mattergen

Hg4PBr3

data_[Hg8P2Br6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 P 2.1900 1.0000 0.5500 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [11.4110] _cell_length_b [7.5082] _cell_length_c [7.6778] _c...

5.418

0.066

0.2125

0.66

Mattergen

Al(AgAu)2

data_[Al4Ag8Au8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Ag 1.9300 1.6000 1.0867 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [4.6014] _cell_length_b [14.7493] _cell_length_c [5.2953] ...

11.767

0.048

0.4616

0.48

Mattergen

Fe(CoSe2)2

data_[Fe2Co4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.1987] _cell_length_b [3.5511] _cell_length_c [6.1994] _c...

6.977

0.04

0.2737

0.4

Mattergen

Ca3Ce2NdN6

data_[Ca6Ce4Nd2N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ce 1.1200 1.8500 1.0800 Nd 1.1400 1.8500 1.2765 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.2190] _cell_length_b [10.7...

5.398

0.055

0.2117

0.55

Mattergen

Ca2AlHg2

data_[Ca8Al4Hg8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.5256] _cell_length_b [4.5485] _cell_length_c [11.3314] _...

6.384

0.049

0.2504

0.49

Mattergen

KAsI6

data_[K1As1I6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 As 2.1800 1.1500 0.6600 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.1607] _cell_length_b [7.3779] _cell_length_c [9.1361] _cell_an...

3.608

0.098

0.1415

0.98

Mattergen

Sm2CuPt

data_[Sm2Cu1Pt1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Cu 1.9000 1.3500 0.8200 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [5.0050] _cell_length_b [5.0050] _cell_length_c [3.5838] _...

10.346

0.077

0.4058

0.77

Mattergen

Sr2MnZn3Ge4

data_[Sr2Mn1Zn3Ge4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Mn 1.5500 1.4000 0.6483 Zn 1.6500 1.3500 0.8800 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.4172] _cell_length_b [4....

5.721

0.065

0.2244

0.65

Mattergen

V2O3

data_[V12O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.6198] _cell_length_b [3.0818] _cell_length_c [7.6215] _cell_angle_alpha [90.0000] _cell_an...

4.724

0.083

0.1853

0.83

Mattergen

Pr2SmCu2

data_[Pr8Sm4Cu8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Sm 1.1700 1.8500 1.2290 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.0079] _cell_length_b [4.6895] _cell_length_c [10.5502] _...

7.293

0.082

0.2861

0.82

Mattergen

SrMn(AgS2)2

data_[Sr2Mn2Ag4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Mn 1.5500 1.4000 0.6483 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I222] _cell_length_a [6.7514] _cell_length_b [6.928...

4.588

0.092

0.18

0.92