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	LiNd2Si	data_[Li4Nd8Si4] 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 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.2730] _cell_length_b [7.2730] _cell_length_c [7.2730] _c...	5.585	0.069	0.2191	0.69
Mattergen	Ba2InHg2	data_[Ba4In2Hg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [8.7803] _cell_length_b [8.7803] _cell_length_c [4.7364] _...	7.191	0.088	0.2821	0.88
Mattergen	LiHgPd6	data_[Li1Hg1Pd6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Hg 2.0000 1.5000 1.2450 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [5.6448] _cell_length_b [5.6448] _cell_length_c [4.6079] _c...	11.049	0.056	0.4334	0.56
Mattergen	K2InCuBr6	data_[K8In4Cu4Br24] 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 Cu 1.9000 1.3500 0.8200 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.7815] _cell_length_b [10...	3.901	0.075	0.153	0.75
Mattergen	Sc(SnPd3)2	data_[Sc2Sn4Pd12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Sn 1.9600 1.4500 0.8300 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.8788] _cell_length_b [4.2777] _cell_length_c [8.3613] _c...	9.935	0.035	0.3897	0.35
Mattergen	Na2Ce3YSe6	data_[Na4Ce6Y2Se12] 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 Y 1.2200 1.8000 1.0400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.3005] _cell_length_b [12.6...	5.383	0.039	0.2111	0.39
Mattergen	Ba2DyScO6	data_[Ba4Dy2Sc2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Dy 1.2200 1.7500 1.1310 Sc 1.3600 1.6000 0.8850 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [6.1084] _cell_length_b [6.10...	5.904	0.073	0.2316	0.73
Mattergen	Y8CoAg2	data_[Y16Co2Ag4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Co 1.8800 1.3500 0.7683 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [17.4632] _cell_length_b [5.2315] _cell_length_c [6.7959] _ce...	5.532	0.046	0.217	0.46
Mattergen	RbAgHgBr5	data_[Rb4Ag4Hg4Br20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ag 1.9300 1.6000 1.0867 Hg 2.0000 1.5000 1.2450 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.9025] _cell_length_b [13...	4.489	0.031	0.1761	0.31
Mattergen	Ba(GaPd)2	data_[Ba2Ga4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ga 1.8100 1.3000 0.7600 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.5080] _cell_length_b [4.5080] _cell_length_c [11.0948] ...	7.212	0.014	0.2829	0.14
Mattergen	Y3ZrAs4	data_[Y6Zr2As8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Zr 1.3300 1.5500 0.8600 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [8.1316] _cell_length_b [11.4636] _cell_length_c [4.0509] _cel...	5.784	0.011	0.2269	0.11
Mattergen	VZnPd2	data_[V1Zn1Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Zn 1.6500 1.3500 0.8800 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [2.7811] _cell_length_b [2.7811] _cell_length_c [7.4498] _ce...	9.487	0.038	0.3721	0.38
Mattergen	HoAu5	data_[Ho4Au20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.8205] _cell_length_b [7.8205] _cell_length_c [7.8205] _cell_angle_alpha [90.0000] _cell...	15.967	0.091	0.6263	0.91
Mattergen	Zn2Hg5Pd12	data_[Zn4Hg10Pd24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Hg 2.0000 1.5000 1.2450 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.0401] _cell_length_b [7.6293] _cell_length_c [6.5917] ...	12.209	0.097	0.4789	0.97
Mattergen	Pr2ErGa3Pd4	data_[Pr2Er1Ga3Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Er 1.2400 1.7500 1.0300 Ga 1.8100 1.3000 0.7600 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.3175] _cell_length_b [4....	8.581	0.053	0.3366	0.53
Mattergen	LaEr(TmBi2)2	data_[La2Er2Tm4Bi8] 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 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [6.3919] _cell_length_b [6...	9.44	0.021	0.3703	0.21
Mattergen	BaSr2GeBr8	data_[Ba1Sr2Ge1Br8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 Ge 2.0100 1.2500 0.7700 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [6.9490] _cell_length_b [9.3...	3.668	0.046	0.1439	0.46
Mattergen	Sm3ErSe6	data_[Sm18Er6Se36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Er 1.2400 1.7500 1.0300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [12.1418] _cell_length_b [12.1418] _cell_length_c [14.4483]...	5.899	0.054	0.2314	0.54
Mattergen	Sm(H4Pd3)2	data_[Sm3H24Pd18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 H 2.2000 0.2500 0.0000 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [8.1393] _cell_length_b [8.1393] _cell_length_c [7.7253] _cel...	8.957	0.04	0.3513	0.4
Mattergen	TlInSnHg3	data_[Tl2In2Sn2Hg6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 In 1.7800 1.5500 0.9400 Sn 1.9600 1.4500 0.8300 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.3064] _cell_length_b [4...	10.101	0.048	0.3962	0.48
Mattergen	BaCdGa	data_[Ba4Cd4Ga4] 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 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [Ima2] _cell_length_a [5.0258] _cell_length_b [8.5546] _cell_length_c [8.4576] _ce...	5.836	0.036	0.2289	0.36
Mattergen	Tb2Dy9Ho	data_[Tb2Dy9Ho1] 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 Ho 1.2300 1.7500 1.0410 ] _symmetry_space_group_name_H-M [P6/mmm] _cell_length_a [11.2313] _cell_length_b [11.2313] _cell_length_c [3.4676]...	8.527	0.058	0.3345	0.58
Mattergen	Gd2Mg	data_[Gd8Mg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Mg 1.3100 1.5000 0.8600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.7310] _cell_length_b [17.3831] _cell_length_c [5.5649] _cell_angle_alpha [90.0000] _cell_...	6.235	0.016	0.2446	0.16
Mattergen	RbSr2MoF8	data_[Rb1Sr2Mo1F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sr 0.9500 2.0000 1.3200 Mo 2.1600 1.4500 0.7750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [4.4369] _cell_length_b [8.084...	4.124	0.049	0.1618	0.49
Mattergen	Tb6Nd2Dy3Sc	data_[Tb12Nd4Dy6Sc2] 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 Dy 1.2200 1.7500 1.1310 Sc 1.3600 1.6000 0.8850 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.1650] _cell_length_b [10...	7.717	0.033	0.3027	0.33
Mattergen	Ag4Hg2Au3	data_[Ag8Hg4Au6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Hg 2.0000 1.5000 1.2450 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.4173] _cell_length_b [4.3778] _cell_length_c [6.6148] _c...	13.817	0.052	0.542	0.52
Mattergen	NaSr3Tl2	data_[Na1Sr3Tl2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sr 0.9500 2.0000 1.3200 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.0222] _cell_length_b [4.0222] _cell_length_c [14.0818] ...	5.063	0.02	0.1986	0.2
Mattergen	LiTm2Cd5	data_[Li2Tm4Cd10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tm 1.2500 1.7500 1.0950 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.8562] _cell_length_b [4.8562] _cell_length_c [15.5256]...	8.226	0.043	0.3227	0.43
Mattergen	Y6SbAs2P3	data_[Y12Sb2As4P6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Sb 2.0500 1.4500 0.8300 As 2.1800 1.1500 0.6600 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [17.9646] _cell_length_b [4.100...	5.039	0.039	0.1977	0.39
Mattergen	Tb3(ScSe2)4	data_[Tb6Sc8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Sc 1.3600 1.6000 0.8850 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.2304] _cell_length_b [11.2372] _cell_length_c [7.9075] ...	6.036	0.025	0.2368	0.25
Mattergen	Ho2BeGa4Cu3	data_[Ho2Be1Ga4Cu3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Be 1.5700 1.0500 0.5900 Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.0829] _cell_length_b [4....	7.926	0.035	0.3109	0.35
Mattergen	SmTm2Si2Pt7	data_[Sm2Tm4Si4Pt14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Tm 1.2500 1.7500 1.0950 Si 1.9000 1.1000 0.5400 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.7772] _cell_length_b [5....	14.099	0.071	0.553	0.71
Mattergen	SrSi2Pb2Au7	data_[Sr2Si4Pb4Au14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Si 1.9000 1.1000 0.5400 Pb 2.3300 1.8000 1.1225 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9278] _cell_length_b [6....	11.562	0.026	0.4535	0.26
Mattergen	ScPd8	data_[Sc2Pd16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [8.4401] _cell_length_b [8.4401] _cell_length_c [3.9913] _cell_angle_alpha [90.0000] _cel...	10.47	0.0	0.4107	0.0
Mattergen	Ca(Mo3S4)2	data_[Ca1Mo6S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mo 2.1600 1.4500 0.7750 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.5191] _cell_length_b [6.5954] _cell_length_c [6.6215] _cell_...	5.088	0.023	0.1996	0.23
Mattergen	Rb2CoF5	data_[Rb2Co1F5] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Co 1.8800 1.3500 0.7683 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [6.2684] _cell_length_b [6.2684] _cell_length_c [3.8513] _ce...	3.565	0.008	0.1398	0.08
Mattergen	Y2AlSi4Ir3	data_[Y2Al1Si4Ir3] 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 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 [4.0802] _cell_length_b [4.08...	8.669	0.061	0.34	0.61
Mattergen	TmZnPt2	data_[Tm2Zn2Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Zn 1.6500 1.3500 0.8800 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [4.6858] _cell_length_b [5.8497] _cell_length_c [5.1384] _ce...	14.726	0.023	0.5776	0.23
Mattergen	Na6HgPb2	data_[Na18Hg3Pb6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [9.4291] _cell_length_b [9.4291] _cell_length_c [9.9149] _c...	4.913	0.031	0.1927	0.31
Mattergen	CsScS2	data_[Cs3Sc3S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Sc 1.3600 1.6000 0.8850 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.9077] _cell_length_b [3.9077] _cell_length_c [23.8930] _cel...	3.815	0.002	0.1496	0.02
Mattergen	SmMgSc	data_[Sm4Mg4Sc4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.5855] _cell_length_b [16.6728] _cell_length_c [5.4487] _c...	4.479	0.096	0.1757	0.96
Mattergen	AgAuO2	data_[Ag1Au1O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Au 2.5400 1.3500 1.0700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmmm] _cell_length_a [3.1288] _cell_length_b [3.5461] _cell_length_c [5.7287] _cell...	8.8	0.037	0.3452	0.37
Mattergen	Ti2BiC	data_[Ti6Bi3C3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Bi 2.0200 1.6000 1.0350 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.3038] _cell_length_b [3.3038] _cell_length_c [20.8095] _cel...	8.021	0.026	0.3146	0.26
Mattergen	Na3Cd2Hg5	data_[Na12Cd8Hg20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cd 1.6900 1.5500 1.0900 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [8.5317] _cell_length_b [20.3562] _cell_length_c [6.3244] ...	7.842	0.08	0.3076	0.8
Mattergen	K2GaAu3	data_[K4Ga2Au6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ga 1.8100 1.3000 0.7600 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [5.6281] _cell_length_b [6.6527] _cell_length_c [8.6308] _cell...	7.593	0.0	0.2978	0.0
Mattergen	Cs3Hg8Au3	data_[Cs6Hg16Au6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Hg 2.0000 1.5000 1.2450 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [5.1957] _cell_length_b [12.3611] _cell_length_c [15.0027] ...	8.942	0.02	0.3507	0.2
Mattergen	LiNd5Te8	data_[Li2Nd10Te16] 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 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [9.4707] _cell_length_b [9.4707] _cell_length_c [9.6430] _c...	6.716	0.019	0.2634	0.19
Mattergen	KRb2P	data_[K8Rb16P8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [9.9250] _cell_length_b [20.7551] _cell_length_c [7.8610] _cell...	1.977	0.083	0.0775	0.83
Mattergen	K4In3FeO8	data_[K12In9Fe3O24] 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 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.6157] _cell_length_b [6.615...	4.882	0.034	0.1915	0.34
Mattergen	ZrCuPdRh	data_[Zr1Cu1Pd1Rh1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cu 1.9000 1.3500 0.8200 Pd 2.2000 1.4000 0.8462 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Pmmm] _cell_length_a [3.7230] _cell_length_b [3.9...	9.717	0.0	0.3811	0.0
Mattergen	Pr2Al4RuPt3	data_[Pr2Al4Ru1Pt3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Al 1.6100 1.2500 0.6750 Ru 2.2000 1.3000 0.6610 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.3307] _cell_length_b [4....	9.329	0.0	0.3659	0.0
Mattergen	SrGa3Hg	data_[Sr4Ga12Hg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ga 1.8100 1.3000 0.7600 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [6.3953] _cell_length_b [11.3829] _cell_length_c [6.4466] _...	7.04	0.031	0.2761	0.31
Mattergen	Pr(Cd3Pd2)2	data_[Pr1Cd6Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Cd 1.6900 1.5500 1.0900 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [7.8585] _cell_length_b [7.8585] _cell_length_c [4.3281] _c...	8.903	0.065	0.3492	0.65
Mattergen	Pr2SmAg	data_[Pr8Sm4Ag4] 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 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.0528] _cell_length_b [12.1067] _cell_length_c [8.2428] _c...	7.114	0.096	0.279	0.96
Mattergen	Na2Sr6CdPt	data_[Na8Sr24Cd4Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sr 0.9500 2.0000 1.3200 Cd 1.6900 1.5500 1.0900 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [12.4554] _cell_length_b [...	3.022	0.077	0.1185	0.77
Mattergen	CsRbCd2Hg	data_[Cs2Rb2Cd4Hg2] 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 Cd 1.6900 1.5500 1.0900 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [4.6402] _cell_length_b [6.1...	4.701	0.07	0.1844	0.7
Mattergen	Pr2Sm(HoS2)3	data_[Pr4Sm2Ho6S12] 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 Ho 1.2300 1.7500 1.0410 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [17.4852] _cell_length_b [3.9...	6.939	0.008	0.2722	0.08
Mattergen	LiEr(GaPd2)2	data_[Li3Er3Ga6Pd12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Er 1.2400 1.7500 1.0300 Ga 1.8100 1.3000 0.7600 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.3650] _cell_length_b [4....	9.395	0.044	0.3685	0.44
Mattergen	Y2Ho2In	data_[Y8Ho8In4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ho 1.2300 1.7500 1.0410 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.0723] _cell_length_b [5.4530] _cell_length_c [9.4084] _cel...	6.918	0.057	0.2714	0.57
Mattergen	Ce2SmMgTl4	data_[Ce6Sm3Mg3Tl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Sm 1.1700 1.8500 1.2290 Mg 1.3100 1.5000 0.8600 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.3563] _cell_length_b [5....	9.31	0.04	0.3652	0.4
Mattergen	La3InCo	data_[La12In4Co4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 In 1.7800 1.5500 0.9400 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.3532] _cell_length_b [3.9336] _cell_length_c [11.3081] ...	6.661	0.032	0.2613	0.32
Mattergen	Li7N2Cl	data_[Li14N4Cl2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [6.4470] _cell_length_b [10.4248] _cell_length_c [3.8144] _ce...	1.452	0.082	0.057	0.82
Mattergen	RbBiPbBr6	data_[Rb2Bi2Pb2Br12] 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 Pb 2.3300 1.8000 1.1225 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [7.7409] _cell_length_b [7...	4.179	0.0	0.1639	0.0
Mattergen	Ca2GaGe4Pt3	data_[Ca2Ga1Ge4Pt3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.2752] _cell_length_b [4....	8.731	0.079	0.3425	0.79
Mattergen	Tb4IrPt	data_[Tb16Ir4Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ir 2.2000 1.3500 0.7650 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [6.8541] _cell_length_b [6.8541] _cell_length_c [13.732...	10.533	0.059	0.4132	0.59
Mattergen	HfCo4Ru	data_[Hf4Co16Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Co 1.8800 1.3500 0.7683 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.7725] _cell_length_b [6.7725] _cell_length_c [6.7725] _...	11.018	0.083	0.4322	0.83
Mattergen	Rb2NdYTe4	data_[Rb2Nd1Y1Te4] 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 Y 1.2200 1.8000 1.0400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.9557] _cell_length_b [4.596...	4.845	0.002	0.19	0.02
Mattergen	Sm	data_[Sm4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.6502] _cell_length_b [3.6502] _cell_length_c [11.7465] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_a...	7.368	0.0	0.289	0.0
Mattergen	Rb2HgPbBr6	data_[Rb6Hg3Pb3Br18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Hg 2.0000 1.5000 1.2450 Pb 2.3300 1.8000 1.1225 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.1773] _cell_length_b [8.17...	4.625	0.03	0.1814	0.3
Mattergen	CaCd2WO6	data_[Ca2Cd4W2O12] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.6299] _cell_length_b [5.75...	6.802	0.021	0.2668	0.21
Mattergen	TbMg(ScTl2)2	data_[Tb3Mg3Sc6Tl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.1445] _cell_length_b [5....	9.062	0.048	0.3555	0.48
Mattergen	LiMgGePd	data_[Li4Mg4Ge4Pd4] 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 Ge 2.0100 1.2500 0.7700 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.2654] _cell_length_b [6....	5.68	0.026	0.2228	0.26
Mattergen	La2InH	data_[La8In4H4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 In 1.7800 1.5500 0.9400 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.7772] _cell_length_b [5.0576] _cell_length_c [7.1910] _cel...	6.502	0.085	0.255	0.85
Mattergen	Na4Tm3BiTe8	data_[Na12Tm9Bi3Te24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Tm 1.2500 1.7500 1.0950 Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.8445] _cell_length_b [8...	5.915	0.005	0.232	0.05
Mattergen	La2PrAgS5	data_[La8Pr4Ag4S20] 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 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [4.0862] _cell_length_b [16...	5.319	0.052	0.2086	0.52
Mattergen	Rb(Tl2Se)6	data_[Rb3Tl36Se18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Tl 1.6200 1.9000 1.3325 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [14.4351] _cell_length_b [14.4351] _cell_length_c [11.3603...	7.319	0.081	0.2871	0.81
Mattergen	InCu3	data_[In4Cu12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.1028] _cell_length_b [8.5371] _cell_length_c [5.3309] _cell_angle_alpha [90.0000] _cell_...	8.737	0.081	0.3427	0.81
Mattergen	La6Pd2RhI3	data_[La12Pd4Rh2I6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Pd 2.2000 1.4000 0.8462 Rh 2.2800 1.3500 0.7450 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.4526] _cell_length_b [12.9...	6.401	0.0	0.2511	0.0
Mattergen	SrHgSb2	data_[Sr1Hg1Sb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Hg 2.0000 1.5000 1.2450 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [4.8731] _cell_length_b [4.4392] _cell_length_c [5.6610] _cell...	7.218	0.052	0.2831	0.52
Mattergen	Pr2Al2Cu	data_[Pr8Al8Cu4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Al 1.6100 1.2500 0.6750 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.6315] _cell_length_b [4.6447] _cell_length_c [10.7458] _...	5.607	0.035	0.2199	0.35
Mattergen	ErNi5	data_[Er4Ni20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.8058] _cell_length_b [6.8058] _cell_length_c [6.8058] _cell_angle_alpha [90.0000] _cell...	9.707	0.096	0.3808	0.96
Mattergen	CeAlNi2	data_[Ce3Al3Ni6] 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 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.2091] _cell_length_b [4.2091] _cell_length_c [13.2299] _c...	6.982	0.013	0.2739	0.13
Mattergen	Nd5InGa4	data_[Nd5In1Ga4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 In 1.7800 1.5500 0.9400 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7188] _cell_length_b [3.7188] _cell_length_c [18.8725] ...	7.093	0.029	0.2782	0.29
Mattergen	NaLi2Ca2Tl5	data_[Na2Li4Ca4Tl10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 Ca 1.0000 1.8000 1.1400 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [11.5809] _cell_length_b ...	7.222	0.05	0.2833	0.5
Mattergen	AsPtBr	data_[As1Pt1Br1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 Pt 2.2800 1.3500 0.8050 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.6486] _cell_length_b [3.6486] _cell_length_c [6.8639] _ce...	7.343	0.092	0.288	0.92
Mattergen	Nb2V2C3	data_[Nb4V4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.4310] _cell_length_b [3.0891] _cell_length_c [5.2495] _cell_...	6.625	0.004	0.2599	0.04
Mattergen	LaInAg4	data_[La4In4Ag16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 In 1.7800 1.5500 0.9400 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [8.0701] _cell_length_b [8.0701] _cell_length_c [8.0701] _...	8.66	0.0	0.3397	0.0
Mattergen	Y2NiRh	data_[Y4Ni2Rh2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ni 1.9100 1.3500 0.7400 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [4.1677] _cell_length_b [3.8187] _cell_length_c [10.6104] _cel...	6.675	0.018	0.2618	0.18
Mattergen	Er2Si4MoPt3	data_[Er2Si4Mo1Pt3] 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 Mo 2.1600 1.4500 0.7750 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.1706] _cell_length_b [4....	10.752	0.057	0.4217	0.57
Mattergen	DyTmGaAg	data_[Dy4Tm4Ga4Ag4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Tm 1.2500 1.7500 1.0950 Ga 1.8100 1.3000 0.7600 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.1888] _cell_length_b [7....	9.101	0.021	0.357	0.21
Mattergen	Cs2CdO2	data_[Cs4Cd2O4] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.5040] _cell_length_b [4.5040] _cell_length_c [14.7770] _c...	4.545	0.01	0.1783	0.1
Mattergen	Cs3AgTe2	data_[Cs12Ag4Te8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ag 1.9300 1.6000 1.0867 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [8.5549] _cell_length_b [15.4759] _cell_length_c [10.1778] ...	3.755	0.059	0.1473	0.59
Mattergen	TlIrO4	data_[Tl2Ir2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 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 [6.0508] _cell_length_b [4.9196] _cell_length_c [5.5057] _ce...	9.779	0.0	0.3836	0.0
Mattergen	K2Pb2O3	data_[K4Pb4O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.3323] _cell_length_b [8.0705] _cell_length_c [6.6030] _cell...	5.455	0.064	0.214	0.64
Mattergen	Pr3Er3ScSe8	data_[Pr9Er9Sc3Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Er 1.2400 1.7500 1.0300 Sc 1.3600 1.6000 0.8850 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.1667] _cell_length_b [8....	6.756	0.008	0.265	0.08
Mattergen	LiYb2Si	data_[Li4Yb8Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Yb 1.1000 1.7500 1.0840 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.2375] _cell_length_b [7.2375] _cell_length_c [7.2375] _c...	6.677	0.079	0.2619	0.79
Mattergen	LaY2Zn	data_[La1Y2Zn1] 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 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6173] _cell_length_b [3.6173] _cell_length_c [8.9209] _ce...	5.436	0.024	0.2132	0.24
Mattergen	KSbF6	data_[K4Sb4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sb 2.0500 1.4500 0.8300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.1679] _cell_length_b [9.1679] _cell_length_c [9.1679] _cell...	2.369	0.0	0.0929	0.0
Mattergen	Y2MnGa4Ni3	data_[Y2Mn1Ga4Ni3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Mn 1.5500 1.4000 0.6483 Ga 1.8100 1.3000 0.7600 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [3.9666] _cell_length_b [3.96...	6.856	0.054	0.2689	0.54
Mattergen	PrSiHg	data_[Pr1Si1Hg1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Si 1.9000 1.1000 0.5400 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [4.4071] _cell_length_b [4.4071] _cell_length_c [4.3219] _ce...	8.442	0.091	0.3311	0.91

Mattergen

LiNd2Si

data_[Li4Nd8Si4] 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 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.2730] _cell_length_b [7.2730] _cell_length_c [7.2730] _c...

5.585

0.069

0.2191

0.69

Mattergen

Ba2InHg2

data_[Ba4In2Hg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [8.7803] _cell_length_b [8.7803] _cell_length_c [4.7364] _...

7.191

0.088

0.2821

0.88

Mattergen

LiHgPd6

data_[Li1Hg1Pd6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Hg 2.0000 1.5000 1.2450 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [5.6448] _cell_length_b [5.6448] _cell_length_c [4.6079] _c...

11.049

0.056

0.4334

0.56

Mattergen

K2InCuBr6

data_[K8In4Cu4Br24] 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 Cu 1.9000 1.3500 0.8200 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.7815] _cell_length_b [10...

3.901

0.075

0.153

0.75

Mattergen

Sc(SnPd3)2

data_[Sc2Sn4Pd12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Sn 1.9600 1.4500 0.8300 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.8788] _cell_length_b [4.2777] _cell_length_c [8.3613] _c...

9.935

0.035

0.3897

0.35

Mattergen

Na2Ce3YSe6

data_[Na4Ce6Y2Se12] 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 Y 1.2200 1.8000 1.0400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.3005] _cell_length_b [12.6...

5.383

0.039

0.2111

0.39

Mattergen

Ba2DyScO6

data_[Ba4Dy2Sc2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Dy 1.2200 1.7500 1.1310 Sc 1.3600 1.6000 0.8850 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [6.1084] _cell_length_b [6.10...

5.904

0.073

0.2316

0.73

Mattergen

Y8CoAg2

data_[Y16Co2Ag4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Co 1.8800 1.3500 0.7683 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [17.4632] _cell_length_b [5.2315] _cell_length_c [6.7959] _ce...

5.532

0.046

0.217

0.46

Mattergen

RbAgHgBr5

data_[Rb4Ag4Hg4Br20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ag 1.9300 1.6000 1.0867 Hg 2.0000 1.5000 1.2450 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.9025] _cell_length_b [13...

4.489

0.031

0.1761

0.31

Mattergen

Ba(GaPd)2

data_[Ba2Ga4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ga 1.8100 1.3000 0.7600 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.5080] _cell_length_b [4.5080] _cell_length_c [11.0948] ...

7.212

0.014

0.2829

0.14

Mattergen

Y3ZrAs4

data_[Y6Zr2As8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Zr 1.3300 1.5500 0.8600 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [8.1316] _cell_length_b [11.4636] _cell_length_c [4.0509] _cel...

5.784

0.011

0.2269

0.11

Mattergen

VZnPd2

data_[V1Zn1Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Zn 1.6500 1.3500 0.8800 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [2.7811] _cell_length_b [2.7811] _cell_length_c [7.4498] _ce...

9.487

0.038

0.3721

0.38

Mattergen

HoAu5

data_[Ho4Au20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.8205] _cell_length_b [7.8205] _cell_length_c [7.8205] _cell_angle_alpha [90.0000] _cell...

15.967

0.091

0.6263

0.91

Mattergen

Zn2Hg5Pd12

data_[Zn4Hg10Pd24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Hg 2.0000 1.5000 1.2450 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.0401] _cell_length_b [7.6293] _cell_length_c [6.5917] ...

12.209

0.097

0.4789

0.97

Mattergen

Pr2ErGa3Pd4

data_[Pr2Er1Ga3Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Er 1.2400 1.7500 1.0300 Ga 1.8100 1.3000 0.7600 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.3175] _cell_length_b [4....

8.581

0.053

0.3366

0.53

Mattergen

LaEr(TmBi2)2

data_[La2Er2Tm4Bi8] 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 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [6.3919] _cell_length_b [6...

9.44

0.021

0.3703

0.21

Mattergen

BaSr2GeBr8

data_[Ba1Sr2Ge1Br8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 Ge 2.0100 1.2500 0.7700 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [6.9490] _cell_length_b [9.3...

3.668

0.046

0.1439

0.46

Mattergen

Sm3ErSe6

data_[Sm18Er6Se36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Er 1.2400 1.7500 1.0300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [12.1418] _cell_length_b [12.1418] _cell_length_c [14.4483]...

5.899

0.054

0.2314

0.54

Mattergen

Sm(H4Pd3)2

data_[Sm3H24Pd18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 H 2.2000 0.2500 0.0000 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [8.1393] _cell_length_b [8.1393] _cell_length_c [7.7253] _cel...

8.957

0.04

0.3513

0.4

Mattergen

TlInSnHg3

data_[Tl2In2Sn2Hg6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 In 1.7800 1.5500 0.9400 Sn 1.9600 1.4500 0.8300 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.3064] _cell_length_b [4...

10.101

0.048

0.3962

0.48

Mattergen

BaCdGa

data_[Ba4Cd4Ga4] 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 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [Ima2] _cell_length_a [5.0258] _cell_length_b [8.5546] _cell_length_c [8.4576] _ce...

5.836

0.036

0.2289

0.36

Mattergen

Tb2Dy9Ho

data_[Tb2Dy9Ho1] 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 Ho 1.2300 1.7500 1.0410 ] _symmetry_space_group_name_H-M [P6/mmm] _cell_length_a [11.2313] _cell_length_b [11.2313] _cell_length_c [3.4676]...

8.527

0.058

0.3345

0.58

Mattergen

Gd2Mg

data_[Gd8Mg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Mg 1.3100 1.5000 0.8600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.7310] _cell_length_b [17.3831] _cell_length_c [5.5649] _cell_angle_alpha [90.0000] _cell_...

6.235

0.016

0.2446

0.16

Mattergen

RbSr2MoF8

data_[Rb1Sr2Mo1F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sr 0.9500 2.0000 1.3200 Mo 2.1600 1.4500 0.7750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [4.4369] _cell_length_b [8.084...

4.124

0.049

0.1618

0.49

Mattergen

Tb6Nd2Dy3Sc

data_[Tb12Nd4Dy6Sc2] 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 Dy 1.2200 1.7500 1.1310 Sc 1.3600 1.6000 0.8850 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.1650] _cell_length_b [10...

7.717

0.033

0.3027

0.33

Mattergen

Ag4Hg2Au3

data_[Ag8Hg4Au6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Hg 2.0000 1.5000 1.2450 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.4173] _cell_length_b [4.3778] _cell_length_c [6.6148] _c...

13.817

0.052

0.542

0.52

Mattergen

NaSr3Tl2

data_[Na1Sr3Tl2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sr 0.9500 2.0000 1.3200 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.0222] _cell_length_b [4.0222] _cell_length_c [14.0818] ...

5.063

0.02

0.1986

0.2

Mattergen

LiTm2Cd5

data_[Li2Tm4Cd10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tm 1.2500 1.7500 1.0950 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.8562] _cell_length_b [4.8562] _cell_length_c [15.5256]...

8.226

0.043

0.3227

0.43

Mattergen

Y6SbAs2P3

data_[Y12Sb2As4P6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Sb 2.0500 1.4500 0.8300 As 2.1800 1.1500 0.6600 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [17.9646] _cell_length_b [4.100...

5.039

0.039

0.1977

0.39

Mattergen

Tb3(ScSe2)4

data_[Tb6Sc8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Sc 1.3600 1.6000 0.8850 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.2304] _cell_length_b [11.2372] _cell_length_c [7.9075] ...

6.036

0.025

0.2368

0.25

Mattergen

Ho2BeGa4Cu3

data_[Ho2Be1Ga4Cu3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Be 1.5700 1.0500 0.5900 Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.0829] _cell_length_b [4....

7.926

0.035

0.3109

0.35

Mattergen

SmTm2Si2Pt7

data_[Sm2Tm4Si4Pt14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Tm 1.2500 1.7500 1.0950 Si 1.9000 1.1000 0.5400 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.7772] _cell_length_b [5....

14.099

0.071

0.553

0.71

Mattergen

SrSi2Pb2Au7

data_[Sr2Si4Pb4Au14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Si 1.9000 1.1000 0.5400 Pb 2.3300 1.8000 1.1225 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9278] _cell_length_b [6....

11.562

0.026

0.4535

0.26

Mattergen

ScPd8

data_[Sc2Pd16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [8.4401] _cell_length_b [8.4401] _cell_length_c [3.9913] _cell_angle_alpha [90.0000] _cel...

10.47

0.0

0.4107

0.0

Mattergen

Ca(Mo3S4)2

data_[Ca1Mo6S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mo 2.1600 1.4500 0.7750 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.5191] _cell_length_b [6.5954] _cell_length_c [6.6215] _cell_...

5.088

0.023

0.1996

0.23

Mattergen

Rb2CoF5

data_[Rb2Co1F5] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Co 1.8800 1.3500 0.7683 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [6.2684] _cell_length_b [6.2684] _cell_length_c [3.8513] _ce...

3.565

0.008

0.1398

0.08

Mattergen

Y2AlSi4Ir3

data_[Y2Al1Si4Ir3] 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 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 [4.0802] _cell_length_b [4.08...

8.669

0.061

0.34

0.61

Mattergen

TmZnPt2

data_[Tm2Zn2Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Zn 1.6500 1.3500 0.8800 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [4.6858] _cell_length_b [5.8497] _cell_length_c [5.1384] _ce...

14.726

0.023

0.5776

0.23

Mattergen

Na6HgPb2

data_[Na18Hg3Pb6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [9.4291] _cell_length_b [9.4291] _cell_length_c [9.9149] _c...

4.913

0.031

0.1927

0.31

Mattergen

CsScS2

data_[Cs3Sc3S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Sc 1.3600 1.6000 0.8850 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.9077] _cell_length_b [3.9077] _cell_length_c [23.8930] _cel...

3.815

0.002

0.1496

0.02

Mattergen

SmMgSc

data_[Sm4Mg4Sc4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.5855] _cell_length_b [16.6728] _cell_length_c [5.4487] _c...

4.479

0.096

0.1757

0.96

Mattergen

AgAuO2

data_[Ag1Au1O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Au 2.5400 1.3500 1.0700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmmm] _cell_length_a [3.1288] _cell_length_b [3.5461] _cell_length_c [5.7287] _cell...

8.8

0.037

0.3452

0.37

Mattergen

Ti2BiC

data_[Ti6Bi3C3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Bi 2.0200 1.6000 1.0350 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.3038] _cell_length_b [3.3038] _cell_length_c [20.8095] _cel...

8.021

0.026

0.3146

0.26

Mattergen

Na3Cd2Hg5

data_[Na12Cd8Hg20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cd 1.6900 1.5500 1.0900 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [8.5317] _cell_length_b [20.3562] _cell_length_c [6.3244] ...

7.842

0.08

0.3076

0.8

Mattergen

K2GaAu3

data_[K4Ga2Au6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ga 1.8100 1.3000 0.7600 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [5.6281] _cell_length_b [6.6527] _cell_length_c [8.6308] _cell...

7.593

0.0

0.2978

0.0

Mattergen

Cs3Hg8Au3

data_[Cs6Hg16Au6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Hg 2.0000 1.5000 1.2450 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [5.1957] _cell_length_b [12.3611] _cell_length_c [15.0027] ...

8.942

0.02

0.3507

0.2

Mattergen

LiNd5Te8

data_[Li2Nd10Te16] 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 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [9.4707] _cell_length_b [9.4707] _cell_length_c [9.6430] _c...

6.716

0.019

0.2634

0.19

Mattergen

KRb2P

data_[K8Rb16P8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [9.9250] _cell_length_b [20.7551] _cell_length_c [7.8610] _cell...

1.977

0.083

0.0775

0.83

Mattergen

K4In3FeO8

data_[K12In9Fe3O24] 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 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.6157] _cell_length_b [6.615...

4.882

0.034

0.1915

0.34

Mattergen

ZrCuPdRh

data_[Zr1Cu1Pd1Rh1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cu 1.9000 1.3500 0.8200 Pd 2.2000 1.4000 0.8462 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Pmmm] _cell_length_a [3.7230] _cell_length_b [3.9...

9.717

0.0

0.3811

0.0

Mattergen

Pr2Al4RuPt3

data_[Pr2Al4Ru1Pt3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Al 1.6100 1.2500 0.6750 Ru 2.2000 1.3000 0.6610 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.3307] _cell_length_b [4....

9.329

0.0

0.3659

0.0

Mattergen

SrGa3Hg

data_[Sr4Ga12Hg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ga 1.8100 1.3000 0.7600 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [6.3953] _cell_length_b [11.3829] _cell_length_c [6.4466] _...

7.04

0.031

0.2761

0.31

Mattergen

Pr(Cd3Pd2)2

data_[Pr1Cd6Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Cd 1.6900 1.5500 1.0900 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [7.8585] _cell_length_b [7.8585] _cell_length_c [4.3281] _c...

8.903

0.065

0.3492

0.65

Mattergen

Pr2SmAg

data_[Pr8Sm4Ag4] 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 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.0528] _cell_length_b [12.1067] _cell_length_c [8.2428] _c...

7.114

0.096

0.279

0.96

Mattergen

Na2Sr6CdPt

data_[Na8Sr24Cd4Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sr 0.9500 2.0000 1.3200 Cd 1.6900 1.5500 1.0900 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [12.4554] _cell_length_b [...

3.022

0.077

0.1185

0.77

Mattergen

CsRbCd2Hg

data_[Cs2Rb2Cd4Hg2] 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 Cd 1.6900 1.5500 1.0900 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [4.6402] _cell_length_b [6.1...

4.701

0.07

0.1844

0.7

Mattergen

Pr2Sm(HoS2)3

data_[Pr4Sm2Ho6S12] 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 Ho 1.2300 1.7500 1.0410 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [17.4852] _cell_length_b [3.9...

6.939

0.008

0.2722

0.08

Mattergen

LiEr(GaPd2)2

data_[Li3Er3Ga6Pd12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Er 1.2400 1.7500 1.0300 Ga 1.8100 1.3000 0.7600 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.3650] _cell_length_b [4....

9.395

0.044

0.3685

0.44

Mattergen

Y2Ho2In

data_[Y8Ho8In4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ho 1.2300 1.7500 1.0410 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.0723] _cell_length_b [5.4530] _cell_length_c [9.4084] _cel...

6.918

0.057

0.2714

0.57

Mattergen

Ce2SmMgTl4

data_[Ce6Sm3Mg3Tl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Sm 1.1700 1.8500 1.2290 Mg 1.3100 1.5000 0.8600 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.3563] _cell_length_b [5....

9.31

0.04

0.3652

0.4

Mattergen

La3InCo

data_[La12In4Co4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 In 1.7800 1.5500 0.9400 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.3532] _cell_length_b [3.9336] _cell_length_c [11.3081] ...

6.661

0.032

0.2613

0.32

Mattergen

Li7N2Cl

data_[Li14N4Cl2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [6.4470] _cell_length_b [10.4248] _cell_length_c [3.8144] _ce...

1.452

0.082

0.057

0.82

Mattergen

RbBiPbBr6

data_[Rb2Bi2Pb2Br12] 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 Pb 2.3300 1.8000 1.1225 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [7.7409] _cell_length_b [7...

4.179

0.0

0.1639

0.0

Mattergen

Ca2GaGe4Pt3

data_[Ca2Ga1Ge4Pt3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.2752] _cell_length_b [4....

8.731

0.079

0.3425

0.79

Mattergen

Tb4IrPt

data_[Tb16Ir4Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ir 2.2000 1.3500 0.7650 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [6.8541] _cell_length_b [6.8541] _cell_length_c [13.732...

10.533

0.059

0.4132

0.59

Mattergen

HfCo4Ru

data_[Hf4Co16Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Co 1.8800 1.3500 0.7683 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.7725] _cell_length_b [6.7725] _cell_length_c [6.7725] _...

11.018

0.083

0.4322

0.83

Mattergen

Rb2NdYTe4

data_[Rb2Nd1Y1Te4] 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 Y 1.2200 1.8000 1.0400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.9557] _cell_length_b [4.596...

4.845

0.002

0.19

0.02

Mattergen

Sm

data_[Sm4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.6502] _cell_length_b [3.6502] _cell_length_c [11.7465] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_a...

7.368

0.0

0.289

0.0

Mattergen

Rb2HgPbBr6

data_[Rb6Hg3Pb3Br18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Hg 2.0000 1.5000 1.2450 Pb 2.3300 1.8000 1.1225 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.1773] _cell_length_b [8.17...

4.625

0.03

0.1814

0.3

Mattergen

CaCd2WO6

data_[Ca2Cd4W2O12] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.6299] _cell_length_b [5.75...

6.802

0.021

0.2668

0.21

Mattergen

TbMg(ScTl2)2

data_[Tb3Mg3Sc6Tl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.1445] _cell_length_b [5....

9.062

0.048

0.3555

0.48

Mattergen

LiMgGePd

data_[Li4Mg4Ge4Pd4] 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 Ge 2.0100 1.2500 0.7700 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.2654] _cell_length_b [6....

5.68

0.026

0.2228

0.26

Mattergen

La2InH

data_[La8In4H4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 In 1.7800 1.5500 0.9400 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.7772] _cell_length_b [5.0576] _cell_length_c [7.1910] _cel...

6.502

0.085

0.255

0.85

Mattergen

Na4Tm3BiTe8

data_[Na12Tm9Bi3Te24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Tm 1.2500 1.7500 1.0950 Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.8445] _cell_length_b [8...

5.915

0.005

0.232

0.05

Mattergen

La2PrAgS5

data_[La8Pr4Ag4S20] 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 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [4.0862] _cell_length_b [16...

5.319

0.052

0.2086

0.52

Mattergen

Rb(Tl2Se)6

data_[Rb3Tl36Se18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Tl 1.6200 1.9000 1.3325 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [14.4351] _cell_length_b [14.4351] _cell_length_c [11.3603...

7.319

0.081

0.2871

0.81

Mattergen

InCu3

data_[In4Cu12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.1028] _cell_length_b [8.5371] _cell_length_c [5.3309] _cell_angle_alpha [90.0000] _cell_...

8.737

0.081

0.3427

0.81

Mattergen

La6Pd2RhI3

data_[La12Pd4Rh2I6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Pd 2.2000 1.4000 0.8462 Rh 2.2800 1.3500 0.7450 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.4526] _cell_length_b [12.9...

6.401

0.0

0.2511

0.0

Mattergen

SrHgSb2

data_[Sr1Hg1Sb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Hg 2.0000 1.5000 1.2450 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [4.8731] _cell_length_b [4.4392] _cell_length_c [5.6610] _cell...

7.218

0.052

0.2831

0.52

Mattergen

Pr2Al2Cu

data_[Pr8Al8Cu4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Al 1.6100 1.2500 0.6750 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.6315] _cell_length_b [4.6447] _cell_length_c [10.7458] _...

5.607

0.035

0.2199

0.35

Mattergen

ErNi5

data_[Er4Ni20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.8058] _cell_length_b [6.8058] _cell_length_c [6.8058] _cell_angle_alpha [90.0000] _cell...

9.707

0.096

0.3808

0.96

Mattergen

CeAlNi2

data_[Ce3Al3Ni6] 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 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.2091] _cell_length_b [4.2091] _cell_length_c [13.2299] _c...

6.982

0.013

0.2739

0.13

Mattergen

Nd5InGa4

data_[Nd5In1Ga4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 In 1.7800 1.5500 0.9400 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7188] _cell_length_b [3.7188] _cell_length_c [18.8725] ...

7.093

0.029

0.2782

0.29

Mattergen

NaLi2Ca2Tl5

data_[Na2Li4Ca4Tl10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 Ca 1.0000 1.8000 1.1400 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [11.5809] _cell_length_b ...

7.222

0.05

0.2833

0.5

Mattergen

AsPtBr

data_[As1Pt1Br1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 Pt 2.2800 1.3500 0.8050 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.6486] _cell_length_b [3.6486] _cell_length_c [6.8639] _ce...

7.343

0.092

0.288

0.92

Mattergen

Nb2V2C3

data_[Nb4V4C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.4310] _cell_length_b [3.0891] _cell_length_c [5.2495] _cell_...

6.625

0.004

0.2599

0.04

Mattergen

LaInAg4

data_[La4In4Ag16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 In 1.7800 1.5500 0.9400 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [8.0701] _cell_length_b [8.0701] _cell_length_c [8.0701] _...

8.66

0.0

0.3397

0.0

Mattergen

Y2NiRh

data_[Y4Ni2Rh2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ni 1.9100 1.3500 0.7400 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [4.1677] _cell_length_b [3.8187] _cell_length_c [10.6104] _cel...

6.675

0.018

0.2618

0.18

Mattergen

Er2Si4MoPt3

data_[Er2Si4Mo1Pt3] 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 Mo 2.1600 1.4500 0.7750 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.1706] _cell_length_b [4....

10.752

0.057

0.4217

0.57

Mattergen

DyTmGaAg

data_[Dy4Tm4Ga4Ag4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Tm 1.2500 1.7500 1.0950 Ga 1.8100 1.3000 0.7600 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.1888] _cell_length_b [7....

9.101

0.021

0.357

0.21

Mattergen

Cs2CdO2

data_[Cs4Cd2O4] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.5040] _cell_length_b [4.5040] _cell_length_c [14.7770] _c...

4.545

0.01

0.1783

0.1

Mattergen

Cs3AgTe2

data_[Cs12Ag4Te8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ag 1.9300 1.6000 1.0867 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [8.5549] _cell_length_b [15.4759] _cell_length_c [10.1778] ...

3.755

0.059

0.1473

0.59

Mattergen

TlIrO4

data_[Tl2Ir2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 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 [6.0508] _cell_length_b [4.9196] _cell_length_c [5.5057] _ce...

9.779

0.0

0.3836

0.0

Mattergen

K2Pb2O3

data_[K4Pb4O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.3323] _cell_length_b [8.0705] _cell_length_c [6.6030] _cell...

5.455

0.064

0.214

0.64

Mattergen

Pr3Er3ScSe8

data_[Pr9Er9Sc3Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Er 1.2400 1.7500 1.0300 Sc 1.3600 1.6000 0.8850 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.1667] _cell_length_b [8....

6.756

0.008

0.265

0.08

Mattergen

LiYb2Si

data_[Li4Yb8Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Yb 1.1000 1.7500 1.0840 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.2375] _cell_length_b [7.2375] _cell_length_c [7.2375] _c...

6.677

0.079

0.2619

0.79

Mattergen

LaY2Zn

data_[La1Y2Zn1] 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 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6173] _cell_length_b [3.6173] _cell_length_c [8.9209] _ce...

5.436

0.024

0.2132

0.24

Mattergen

KSbF6

data_[K4Sb4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sb 2.0500 1.4500 0.8300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.1679] _cell_length_b [9.1679] _cell_length_c [9.1679] _cell...

2.369

0.0

0.0929

0.0

Mattergen

Y2MnGa4Ni3

data_[Y2Mn1Ga4Ni3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Mn 1.5500 1.4000 0.6483 Ga 1.8100 1.3000 0.7600 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [3.9666] _cell_length_b [3.96...

6.856

0.054

0.2689

0.54

Mattergen

PrSiHg

data_[Pr1Si1Hg1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Si 1.9000 1.1000 0.5400 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [4.4071] _cell_length_b [4.4071] _cell_length_c [4.3219] _ce...

8.442

0.091

0.3311

0.91