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	Ca2Ga3Ru	data_[Ca4Ga6Ru2] 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 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.5956] _cell_length_b [5.5956] _cell_length_c [8.6972]...	5.498	0.0	0.2157	0.0
Mattergen	LaAl3	data_[La9Al27] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.6836] _cell_length_b [5.6836] _cell_length_c [27.3841] _cell_angle_alpha [90.0000] _cell...	4.289	0.047	0.1682	0.47
Mattergen	Mg2Bi	data_[Mg8Bi4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.4754] _cell_length_b [6.4948] _cell_length_c [8.0288] _cell_angle_alpha [90.0000] _cell_a...	5.497	0.084	0.2156	0.84
Mattergen	Na2HgO	data_[Na6Hg3O3] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [3.6750] _cell_length_b [3.6750] _cell_length_c [22.1437] _cell...	5.05	0.075	0.1981	0.75
Mattergen	SrZn5Pd2	data_[Sr2Zn10Pd4] 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 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.1214] _cell_length_b [7.4177] _cell_length_c [10.0896] _...	6.756	0.064	0.265	0.64
Mattergen	Zr2Cu2Pb	data_[Zr4Cu4Pb2] 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 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [6.8703] _cell_length_b [6.8703] _cell_length_c [4.0069] _...	9.074	0.068	0.3559	0.68
Mattergen	BaHfCuAs3	data_[Ba4Hf4Cu4As12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Hf 1.3000 1.5500 0.8500 Cu 1.9000 1.3500 0.8200 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.1957] _cell_length_b [15...	6.838	0.029	0.2682	0.29
Mattergen	EuMgNi	data_[Eu3Mg3Ni3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Mg 1.3100 1.5000 0.8600 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.4459] _cell_length_b [7.4459] _cell_length_c [4.1300] _c...	5.903	0.014	0.2315	0.14
Mattergen	Nd2DyMg3	data_[Nd2Dy1Mg3] 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 Mg 1.3100 1.5000 0.8600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.8496] _cell_length_b [3.8496] _cell_length_c [11.6005] ...	5.061	0.048	0.1985	0.48
Mattergen	InCuSn	data_[In2Cu2Sn2] 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 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [5.0246] _cell_length_b [4.1749] _cell_length_c [6.4600] _cell...	7.337	0.067	0.2878	0.67
Mattergen	La2ScAl	data_[La4Sc2Al2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [3.8201] _cell_length_b [5.4232] _cell_length_c [11.1748] _c...	5.017	0.071	0.1968	0.71
Mattergen	Rb2Tl4HgBi3	data_[Rb2Tl4Hg1Bi3] 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 Hg 2.0000 1.5000 1.2450 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [5.3713] _cell_length_b [5....	7.734	0.043	0.3034	0.43
Mattergen	LaPr4(YTm)2	data_[La2Pr8Y4Tm4] 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 Y 1.2200 1.8000 1.0400 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [15.4667] _cell_length_b [5.12...	6.557	0.029	0.2572	0.29
Mattergen	Li2BeSiO4	data_[Li4Be2Si2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [5.6578] _cell_length_b [5.3...	2.652	0.037	0.104	0.37
Mattergen	Pr2Dy(HoTm2)3	data_[Pr4Dy2Ho6Tm12] 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 Ho 1.2300 1.7500 1.0410 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.1319] _cell_length_b [10...	8.68	0.032	0.3405	0.32
Mattergen	Dy3(Si2Pd)2	data_[Dy6Si8Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Si 1.9000 1.1000 0.5400 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.4217] _cell_length_b [4.2330] _cell_length_c [8.2092] _c...	7.8	0.039	0.306	0.39
Mattergen	ZrTiO4	data_[Zr4Ti4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [5.0153] _cell_length_b [5.0153] _cell_length_c [10.6306] _...	5.045	0.025	0.1979	0.25
Mattergen	LaNd2HoTl2	data_[La2Nd4Ho2Tl4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Nd 1.1400 1.8500 1.2765 Ho 1.2300 1.7500 1.0410 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [5.2487] _cell_length_b [1...	8.842	0.019	0.3468	0.19
Mattergen	SrLi4CdSn2	data_[Sr3Li12Cd3Sn6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Li 0.9800 1.4500 0.9000 Cd 1.6900 1.5500 1.0900 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.7773] _cell_length_b [4....	4.333	0.061	0.17	0.61
Mattergen	LiAlMoOs	data_[Li4Al4Mo4Os4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 Mo 2.1600 1.4500 0.7750 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.0712] _cell_length_b [6....	9.501	0.0	0.3727	0.0
Mattergen	Tb2Ni4As3Pt	data_[Tb2Ni4As3Pt1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ni 1.9100 1.3500 0.7400 As 2.1800 1.1500 0.6600 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.0268] _cell_length_b [4....	9.947	0.057	0.3902	0.57
Mattergen	Er2ZnSi	data_[Er4Zn2Si2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Zn 1.6500 1.3500 0.8800 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.7245] _cell_length_b [4.0306] _cell_length_c [8.1886] _...	7.952	0.035	0.3119	0.35
Mattergen	Zr2AlZn	data_[Zr4Al2Zn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [6.0042] _cell_length_b [8.1201] _cell_length_c [3.1286] _ce...	5.984	0.037	0.2347	0.37
Mattergen	NaCuSnTe2	data_[Na2Cu2Sn2Te4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cu 1.9000 1.3500 0.8200 Sn 1.9600 1.4500 0.8300 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [7.7709] _cell_length_b [4.9...	5.055	0.063	0.1983	0.63
Mattergen	Sm2NbSi3Ir4	data_[Sm2Nb1Si3Ir4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Nb 1.6000 1.4500 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 [4.1466] _cell_length_b [4....	11.53	0.005	0.4523	0.05
Mattergen	LiMg2TlO4	data_[Li1Mg2Tl1O4] 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 Tl 1.6200 1.9000 1.3325 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.3230] _cell_length_b [3.179...	6.131	0.089	0.2405	0.89
Mattergen	LiCe2Ga3Cu4	data_[Li1Ce2Ga3Cu4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ce 1.1200 1.8500 1.0800 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 [4.2644] _cell_length_b [4....	7.049	0.043	0.2765	0.43
Mattergen	Eu2ZnGe3	data_[Eu8Zn4Ge12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Zn 1.6500 1.3500 0.8800 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.0221] _cell_length_b [8.4682] _cell_length_c [8.6171] _c...	6.949	0.016	0.2726	0.16
Mattergen	NbTl2(IrO4)3	data_[Nb3Tl6Ir9O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [R-3m] _cell_length_a [7.1877] _cell_length_b [7.18...	7.784	0.065	0.3053	0.65
Mattergen	Sr2HoSn3Pt4	data_[Sr2Ho1Sn3Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ho 1.2300 1.7500 1.0410 Sn 1.9600 1.4500 0.8300 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.6609] _cell_length_b [4....	10.058	0.047	0.3945	0.47
Mattergen	NdDy2Rh	data_[Nd4Dy8Rh4] 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 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.8114] _cell_length_b [12.2144] _cell_length_c [9.4622] _c...	8.627	0.04	0.3384	0.4
Mattergen	ZnCu(SiO3)2	data_[Zn4Cu4Si8O24] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.1208] _cell_length_b [9.4...	3.973	0.09	0.1558	0.9
Mattergen	Co4Ni4Ir	data_[Co8Ni8Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Ni 1.9100 1.3500 0.7400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [7.5530] _cell_length_b [7.5530] _cell_length_c [3.5897] _...	10.748	0.028	0.4216	0.28
Mattergen	KInS2	data_[K4In4S8] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.1600] _cell_length_b [9.5935] _cell_length_c [6.7096] _cell_a...	3.018	0.041	0.1184	0.41
Mattergen	NdZnPO	data_[Nd6Zn6P6O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Zn 1.6500 1.3500 0.8800 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.0023] _cell_length_b [4.0023]...	5.903	0.0	0.2315	0.0
Mattergen	Na2HgF6	data_[Na4Hg2F12] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.9282] _cell_length_b [5.7555] _cell_length_c [10.1700] _...	3.973	0.007	0.1558	0.07
Mattergen	Na5Hg2Bi5	data_[Na10Hg4Bi10] 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 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.0357] _cell_length_b [5.3963] _cell_length_c [12.4128]...	6.549	0.086	0.2569	0.86
Mattergen	TbIn2Rh3	data_[Tb1In2Rh3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 In 1.7800 1.5500 0.9400 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.6860] _cell_length_b [4.6860] _cell_length_c [5.6986] _c...	10.684	0.004	0.4191	0.04
Mattergen	TmIrPb	data_[Tm3Ir3Pb3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Ir 2.2000 1.3500 0.7650 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.7733] _cell_length_b [7.7733] _cell_length_c [3.7401] _c...	14.466	0.075	0.5674	0.75
Mattergen	Tb2B5Ru3	data_[Tb4B10Ru6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 B 2.0400 0.8500 0.4100 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [10.3625] _cell_length_b [4.0310] _cell_length_c [8.1662] _cell...	8.176	0.058	0.3207	0.58
Mattergen	RbScCoSe3	data_[Rb4Sc4Co4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sc 1.3600 1.6000 0.8850 Co 1.8800 1.3500 0.7683 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.9087] _cell_length_b [15...	4.496	0.051	0.1764	0.51
Mattergen	KScRhCl6	data_[K2Sc2Rh2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sc 1.3600 1.6000 0.8850 Rh 2.2800 1.3500 0.7450 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [6.5965] _cell_length_b [10.936...	2.578	0.087	0.1011	0.87
Mattergen	Na2Sn2Cl7	data_[Na4Sn4Cl14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sn 1.9600 1.4500 0.8300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.8941] _cell_length_b [11.6227] _cell_length_c [7.6992] _...	2.221	0.088	0.0871	0.88
Mattergen	Pr2ErPd2	data_[Pr8Er4Pd8] 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 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.1102] _cell_length_b [4.0178] _cell_length_c [11.4913] _...	8.31	0.029	0.326	0.29
Mattergen	Cs2YbH4	data_[Cs4Yb2H8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Yb 1.1000 1.7500 1.0840 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.6156] _cell_length_b [4.6156] _cell_length_c [15.5002] _c...	4.454	0.027	0.1747	0.27
Mattergen	KBaTaS4	data_[K2Ba2Ta2S8] 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 Ta 1.5000 1.4500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.3319] _cell_length_b [7.011...	3.617	0.0	0.1419	0.0
Mattergen	La8Pt3RhCl4	data_[La24Pt9Rh3Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Pt 2.2800 1.3500 0.8050 Rh 2.2800 1.3500 0.7450 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.5144] _cell_length_b [8...	6.733	0.001	0.2641	0.01
Mattergen	Ba2BiPd2	data_[Ba8Bi4Pd8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Bi 2.0200 1.6000 1.0350 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.8146] _cell_length_b [6.2445] _cell_length_c [8.9918] _c...	7.849	0.043	0.3079	0.43
Mattergen	Y5Cd4Hg	data_[Y5Cd4Hg1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Cd 1.6900 1.5500 1.0900 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7817] _cell_length_b [3.7817] _cell_length_c [18.5039] _c...	6.869	0.003	0.2694	0.03
Mattergen	Pr2Zn3Ga4Cu	data_[Pr2Zn3Ga4Cu1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Zn 1.6500 1.3500 0.8800 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 [4.3023] _cell_length_b [4....	7.048	0.0	0.2765	0.0
Mattergen	Tm3(GaCo)4	data_[Tm6Ga8Co8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Ga 1.8100 1.3000 0.7600 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [7.2223] _cell_length_b [7.2223] _cell_length_c [7.2223] _c...	9.005	0.032	0.3532	0.32
Mattergen	EuAl3Cd	data_[Eu2Al6Cd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Al 1.6100 1.2500 0.6750 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [4.4639] _cell_length_b [4.4639] _cell_length_c [11.6191] _...	4.953	0.014	0.1943	0.14
Mattergen	NdHo2(TmBi2)3	data_[Nd2Ho4Tm6Bi12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ho 1.2300 1.7500 1.0410 Tm 1.2500 1.7500 1.0950 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [19.4313] _cell_length_b [4...	9.767	0.004	0.3831	0.04
Mattergen	TbYAs2	data_[Tb3Y3As6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Y 1.2200 1.8000 1.0400 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.1391] _cell_length_b [4.1391] _cell_length_c [20.2251] _cel...	6.602	0.001	0.259	0.01
Mattergen	Sm2Dy2ErTm	data_[Sm4Dy4Er2Tm2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Dy 1.2200 1.7500 1.1310 Er 1.2400 1.7500 1.0300 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [6.9296] _cell_length_b [5.6...	8.419	0.096	0.3302	0.96
Mattergen	Pr2Ga6Ru	data_[Pr2Ga6Ru1] 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 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [6.0803] _cell_length_b [6.0803] _cell_length_c [5.6205] _c...	7.393	0.076	0.29	0.76
Mattergen	Er5Rh4Au	data_[Er5Rh4Au1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Rh 2.2800 1.3500 0.7450 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.4206] _cell_length_b [3.4206] _cell_length_c [17.1851] ...	11.932	0.021	0.468	0.21
Mattergen	Y2Ga3GePd4	data_[Y2Ga3Ge1Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.1857] _cell_length_b [4.18...	7.818	0.067	0.3067	0.67
Mattergen	Er6CuTe2	data_[Er6Cu1Te2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Cu 1.9000 1.3500 0.8200 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [8.3624] _cell_length_b [8.3624] _cell_length_c [3.8976] _c...	9.302	0.002	0.3649	0.02
Mattergen	Na2Mn(NbSe3)2	data_[Na4Mn2Nb4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.5191] _cell_length_b [11...	4.824	0.065	0.1892	0.65
Mattergen	Li3La(DyTe3)2	data_[Li6La2Dy4Te12] 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 Dy 1.2200 1.7500 1.1310 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.6476] _cell_length_b [13...	5.804	0.015	0.2277	0.15
Mattergen	CaPr2HoBi4	data_[Ca1Pr2Ho1Bi4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Pr 1.1300 1.8500 1.0600 Ho 1.2300 1.7500 1.0410 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.9280] _cell_length_b [4.5...	8.021	0.046	0.3146	0.46
Mattergen	Ca2C2Cl	data_[Ca8C8Cl4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 C 2.5500 0.7000 0.3000 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [14.2475] _cell_length_b [4.1846] _cell_length_c [6.9506] _cel...	2.319	0.07	0.091	0.7
Mattergen	Ho8Te4C3N	data_[Ho24Te12C9N3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Te 2.1000 1.4000 1.2933 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.5962] _cell_length_b [7.596...	9.003	0.072	0.3531	0.72
Mattergen	TmPRh	data_[Tm4P4Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 P 2.1900 1.0000 0.5500 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [I4_1md] _cell_length_a [3.9045] _cell_length_b [3.9045] _cell_length_c [14.3629] _c...	9.186	0.022	0.3603	0.22
Mattergen	Rb(Tl2Sb)2	data_[Rb2Tl8Sb4] 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 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [5.1119] _cell_length_b [19.2053] _cell_length_c [5.1121] _c...	7.587	0.007	0.2976	0.07
Mattergen	NaTaO2	data_[Na2Ta2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9699] _cell_length_b [2.9699] _cell_length_c [11.7205] ...	8.752	0.031	0.3433	0.31
Mattergen	TaRh3	data_[Ta4Rh12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.9188] _cell_length_b [3.9188] _cell_length_c [15.5730] _cell_angle_alpha [90.0000] _ce...	13.6	0.053	0.5335	0.53
Mattergen	CaGa2Au3	data_[Ca2Ga4Au6] 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 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.6195] _cell_length_b [4.6195] _cell_length_c [12.7332...	10.873	0.046	0.4265	0.46
Mattergen	CuAu	data_[Cu2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [2.8217] _cell_length_b [2.8217] _cell_length_c [8.9540] _cell_angle_alpha [90.0000] _cell_...	14.013	0.1	0.5497	1.0
Mattergen	CsH3O2	data_[Cs4H12O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [4.3887] _cell_length_b [11.8478] _cell_length_c [6.4203] _ce...	3.341	0.0	0.1311	0.0
Mattergen	NdY2ZrP4	data_[Nd1Y2Zr1P4] 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 Zr 1.3300 1.5500 0.8600 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [6.8892] _cell_length_b [3.9747]...	4.996	0.03	0.196	0.3
Mattergen	MgSnMoO6	data_[Mg2Sn2Mo2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2nm] _cell_length_a [4.7851] _cell_length_b [4....	5.214	0.098	0.2045	0.98
Mattergen	NaDyAgCl5	data_[Na4Dy4Ag4Cl20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Dy 1.2200 1.7500 1.1310 Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.8562] _cell_length_b [13...	3.288	0.02	0.129	0.2
Mattergen	Ho2TlCd	data_[Ho2Tl1Cd1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Tl 1.6200 1.9000 1.3325 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7620] _cell_length_b [3.7620] _cell_length_c [7.4633] _...	10.166	0.006	0.3988	0.06
Mattergen	Cd7Hg6	data_[Cd21Hg18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.8236] _cell_length_b [5.8236] _cell_length_c [34.0706] _cell_angle_alpha [90.0000] _cel...	9.909	0.071	0.3887	0.71
Mattergen	Na4Ho3AsS8	data_[Na12Ho9As3S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ho 1.2300 1.7500 1.0410 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.8531] _cell_length_b [7.8...	4.283	0.031	0.168	0.31
Mattergen	La4SiCBr2	data_[La4Si1C1Br2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.1979] _cell_length_b [4.125...	5.55	0.044	0.2177	0.44
Mattergen	Ba2MgRuO6	data_[Ba8Mg4Ru4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mg 1.3100 1.5000 0.8600 Ru 2.2000 1.3000 0.6610 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.1606] _cell_length_b [8.1...	6.063	0.0	0.2378	0.0
Mattergen	Er2Ag3Sn	data_[Er16Ag24Sn8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Ag 1.9300 1.6000 1.0867 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Fmmm] _cell_length_a [6.7988] _cell_length_b [9.5578] _cell_length_c [16.7031] ...	9.508	0.082	0.373	0.82
Mattergen	Ce2P3Ir4Au	data_[Ce2P3Ir4Au1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 P 2.1900 1.0000 0.5500 Ir 2.2000 1.3500 0.7650 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.0003] _cell_length_b [4.00...	12.688	0.093	0.4977	0.93
Mattergen	Pr2Y3Ho6In	data_[Pr4Y6Ho12In2] 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 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 [6.1194] _cell_length_b [10.6...	7.292	0.052	0.286	0.52
Mattergen	Rb3(SnTe2)2	data_[Rb12Sn8Te16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sn 1.9600 1.4500 0.8300 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [14.3973] _cell_length_b [12.5254] _cell_length_c [9.5665]...	3.909	0.011	0.1533	0.11
Mattergen	Na5SrTl7	data_[Na10Sr2Tl14] 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 [Imm2] _cell_length_a [6.4331] _cell_length_b [11.0265] _cell_length_c [11.0607]...	6.913	0.057	0.2712	0.57
Mattergen	ErSe2	data_[Er2Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.0487] _cell_length_b [4.0487] _cell_length_c [8.2822] _cell_angle_alpha [90.0000] _cell...	7.955	0.042	0.312	0.42
Mattergen	Cs3Au2Br7	data_[Cs6Au4Br14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Au 2.5400 1.3500 1.0700 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [5.6081] _cell_length_b [27.7292] _cell_length_c [5.4810] _...	5.268	0.055	0.2066	0.55
Mattergen	NdDy4Er3	data_[Nd2Dy8Er6] 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 Er 1.2400 1.7500 1.0300 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [11.2362] _cell_length_b [7.2590] _cell_length_c [6.2819] ...	8.4	0.015	0.3295	0.15
Mattergen	NaCe(SiO3)2	data_[Na4Ce4Si8O24] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.4163] _cell_length_b [10....	3.761	0.03	0.1475	0.3
Mattergen	DyAl(ZnPt2)2	data_[Dy3Al3Zn6Pt12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Al 1.6100 1.2500 0.6750 Zn 1.6500 1.3500 0.8800 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.3821] _cell_length_b [4....	13.599	0.048	0.5334	0.48
Mattergen	Ca(BrO3)2	data_[Ca4Br8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.6393] _cell_length_b [8.7076] _cell_length_c [7.4294] _ce...	3.281	0.0	0.1287	0.0
Mattergen	CsZnAgCl4	data_[Cs2Zn2Ag2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Zn 1.6500 1.3500 0.8800 Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.4994] _cell_length_b [7...	3.435	0.013	0.1347	0.13
Mattergen	DyYTm	data_[Dy4Y4Tm4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Y 1.2200 1.8000 1.0400 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.0015] _cell_length_b [15.0090] _cell_length_c [4.9972] _cel...	7.443	0.031	0.292	0.31
Mattergen	Na2Ca2Ag15	data_[Na6Ca6Ag45] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [9.7566] _cell_length_b [9.7566] _cell_length_c [14.4589] _...	7.289	0.025	0.2859	0.25
Mattergen	HoTm7	data_[Ho4Tm28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.8621] _cell_length_b [9.8621] _cell_length_c [9.8621] _cell_angle_alpha [90.0000] _cell...	9.331	0.028	0.366	0.28
Mattergen	CdHg2	data_[Cd4Hg8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [14.0461] _cell_length_b [3.3039] _cell_length_c [7.1199] _cell_angle_alpha [90.0000] _cell_...	10.981	0.037	0.4307	0.37
Mattergen	CrRuRh3	data_[Cr4Ru4Rh12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ru 2.2000 1.3000 0.6610 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.6104] _cell_length_b [2.7089] _cell_length_c [8.9340] _...	11.124	0.085	0.4363	0.85
Mattergen	Sr2HgBi	data_[Sr2Hg1Bi1] 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 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.1723] _cell_length_b [4.1723] _cell_length_c [7.8521] _...	7.104	0.051	0.2787	0.51
Mattergen	Ho2PbN	data_[Ho4Pb2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.5218] _cell_length_b [3.5218] _cell_length_c [15.7408] ...	10.824	0.0	0.4246	0.0
Mattergen	La2Cu3Ge4Ir	data_[La2Cu3Ge4Ir1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cu 1.9000 1.3500 0.8200 Ge 2.0100 1.2500 0.7700 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.2579] _cell_length_b [4....	8.533	0.095	0.3347	0.95
Mattergen	Tb2Cd3Ni2	data_[Tb4Cd6Ni4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Cd 1.6900 1.5500 1.0900 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.1347] _cell_length_b [3.9283] _cell_length_c [7.5068] _c...	8.654	0.028	0.3395	0.28

Mattergen

Ca2Ga3Ru

data_[Ca4Ga6Ru2] 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 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.5956] _cell_length_b [5.5956] _cell_length_c [8.6972]...

5.498

0.0

0.2157

0.0

Mattergen

LaAl3

data_[La9Al27] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.6836] _cell_length_b [5.6836] _cell_length_c [27.3841] _cell_angle_alpha [90.0000] _cell...

4.289

0.047

0.1682

0.47

Mattergen

Mg2Bi

data_[Mg8Bi4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.4754] _cell_length_b [6.4948] _cell_length_c [8.0288] _cell_angle_alpha [90.0000] _cell_a...

5.497

0.084

0.2156

0.84

Mattergen

Na2HgO

data_[Na6Hg3O3] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [3.6750] _cell_length_b [3.6750] _cell_length_c [22.1437] _cell...

5.05

0.075

0.1981

0.75

Mattergen

SrZn5Pd2

data_[Sr2Zn10Pd4] 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 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.1214] _cell_length_b [7.4177] _cell_length_c [10.0896] _...

6.756

0.064

0.265

0.64

Mattergen

Zr2Cu2Pb

data_[Zr4Cu4Pb2] 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 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [6.8703] _cell_length_b [6.8703] _cell_length_c [4.0069] _...

9.074

0.068

0.3559

0.68

Mattergen

BaHfCuAs3

data_[Ba4Hf4Cu4As12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Hf 1.3000 1.5500 0.8500 Cu 1.9000 1.3500 0.8200 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.1957] _cell_length_b [15...

6.838

0.029

0.2682

0.29

Mattergen

EuMgNi

data_[Eu3Mg3Ni3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Mg 1.3100 1.5000 0.8600 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.4459] _cell_length_b [7.4459] _cell_length_c [4.1300] _c...

5.903

0.014

0.2315

0.14

Mattergen

Nd2DyMg3

data_[Nd2Dy1Mg3] 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 Mg 1.3100 1.5000 0.8600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.8496] _cell_length_b [3.8496] _cell_length_c [11.6005] ...

5.061

0.048

0.1985

0.48

Mattergen

InCuSn

data_[In2Cu2Sn2] 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 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [5.0246] _cell_length_b [4.1749] _cell_length_c [6.4600] _cell...

7.337

0.067

0.2878

0.67

Mattergen

La2ScAl

data_[La4Sc2Al2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [3.8201] _cell_length_b [5.4232] _cell_length_c [11.1748] _c...

5.017

0.071

0.1968

0.71

Mattergen

Rb2Tl4HgBi3

data_[Rb2Tl4Hg1Bi3] 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 Hg 2.0000 1.5000 1.2450 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [5.3713] _cell_length_b [5....

7.734

0.043

0.3034

0.43

Mattergen

LaPr4(YTm)2

data_[La2Pr8Y4Tm4] 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 Y 1.2200 1.8000 1.0400 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [15.4667] _cell_length_b [5.12...

6.557

0.029

0.2572

0.29

Mattergen

Li2BeSiO4

data_[Li4Be2Si2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [5.6578] _cell_length_b [5.3...

2.652

0.037

0.104

0.37

Mattergen

Pr2Dy(HoTm2)3

data_[Pr4Dy2Ho6Tm12] 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 Ho 1.2300 1.7500 1.0410 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.1319] _cell_length_b [10...

8.68

0.032

0.3405

0.32

Mattergen

Dy3(Si2Pd)2

data_[Dy6Si8Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Si 1.9000 1.1000 0.5400 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.4217] _cell_length_b [4.2330] _cell_length_c [8.2092] _c...

7.8

0.039

0.306

0.39

Mattergen

ZrTiO4

data_[Zr4Ti4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [5.0153] _cell_length_b [5.0153] _cell_length_c [10.6306] _...

5.045

0.025

0.1979

0.25

Mattergen

LaNd2HoTl2

data_[La2Nd4Ho2Tl4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Nd 1.1400 1.8500 1.2765 Ho 1.2300 1.7500 1.0410 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [5.2487] _cell_length_b [1...

8.842

0.019

0.3468

0.19

Mattergen

SrLi4CdSn2

data_[Sr3Li12Cd3Sn6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Li 0.9800 1.4500 0.9000 Cd 1.6900 1.5500 1.0900 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.7773] _cell_length_b [4....

4.333

0.061

0.17

0.61

Mattergen

LiAlMoOs

data_[Li4Al4Mo4Os4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 Mo 2.1600 1.4500 0.7750 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.0712] _cell_length_b [6....

9.501

0.0

0.3727

0.0

Mattergen

Tb2Ni4As3Pt

data_[Tb2Ni4As3Pt1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ni 1.9100 1.3500 0.7400 As 2.1800 1.1500 0.6600 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.0268] _cell_length_b [4....

9.947

0.057

0.3902

0.57

Mattergen

Er2ZnSi

data_[Er4Zn2Si2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Zn 1.6500 1.3500 0.8800 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.7245] _cell_length_b [4.0306] _cell_length_c [8.1886] _...

7.952

0.035

0.3119

0.35

Mattergen

Zr2AlZn

data_[Zr4Al2Zn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [6.0042] _cell_length_b [8.1201] _cell_length_c [3.1286] _ce...

5.984

0.037

0.2347

0.37

Mattergen

NaCuSnTe2

data_[Na2Cu2Sn2Te4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cu 1.9000 1.3500 0.8200 Sn 1.9600 1.4500 0.8300 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [7.7709] _cell_length_b [4.9...

5.055

0.063

0.1983

0.63

Mattergen

Sm2NbSi3Ir4

data_[Sm2Nb1Si3Ir4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Nb 1.6000 1.4500 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 [4.1466] _cell_length_b [4....

11.53

0.005

0.4523

0.05

Mattergen

LiMg2TlO4

data_[Li1Mg2Tl1O4] 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 Tl 1.6200 1.9000 1.3325 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.3230] _cell_length_b [3.179...

6.131

0.089

0.2405

0.89

Mattergen

LiCe2Ga3Cu4

data_[Li1Ce2Ga3Cu4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ce 1.1200 1.8500 1.0800 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 [4.2644] _cell_length_b [4....

7.049

0.043

0.2765

0.43

Mattergen

Eu2ZnGe3

data_[Eu8Zn4Ge12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Zn 1.6500 1.3500 0.8800 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.0221] _cell_length_b [8.4682] _cell_length_c [8.6171] _c...

6.949

0.016

0.2726

0.16

Mattergen

NbTl2(IrO4)3

data_[Nb3Tl6Ir9O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 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 [R-3m] _cell_length_a [7.1877] _cell_length_b [7.18...

7.784

0.065

0.3053

0.65

Mattergen

Sr2HoSn3Pt4

data_[Sr2Ho1Sn3Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ho 1.2300 1.7500 1.0410 Sn 1.9600 1.4500 0.8300 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.6609] _cell_length_b [4....

10.058

0.047

0.3945

0.47

Mattergen

NdDy2Rh

data_[Nd4Dy8Rh4] 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 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.8114] _cell_length_b [12.2144] _cell_length_c [9.4622] _c...

8.627

0.04

0.3384

0.4

Mattergen

ZnCu(SiO3)2

data_[Zn4Cu4Si8O24] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.1208] _cell_length_b [9.4...

3.973

0.09

0.1558

0.9

Mattergen

Co4Ni4Ir

data_[Co8Ni8Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Ni 1.9100 1.3500 0.7400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [7.5530] _cell_length_b [7.5530] _cell_length_c [3.5897] _...

10.748

0.028

0.4216

0.28

Mattergen

KInS2

data_[K4In4S8] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.1600] _cell_length_b [9.5935] _cell_length_c [6.7096] _cell_a...

3.018

0.041

0.1184

0.41

Mattergen

NdZnPO

data_[Nd6Zn6P6O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Zn 1.6500 1.3500 0.8800 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.0023] _cell_length_b [4.0023]...

5.903

0.0

0.2315

0.0

Mattergen

Na2HgF6

data_[Na4Hg2F12] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.9282] _cell_length_b [5.7555] _cell_length_c [10.1700] _...

3.973

0.007

0.1558

0.07

Mattergen

Na5Hg2Bi5

data_[Na10Hg4Bi10] 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 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.0357] _cell_length_b [5.3963] _cell_length_c [12.4128]...

6.549

0.086

0.2569

0.86

Mattergen

TbIn2Rh3

data_[Tb1In2Rh3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 In 1.7800 1.5500 0.9400 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.6860] _cell_length_b [4.6860] _cell_length_c [5.6986] _c...

10.684

0.004

0.4191

0.04

Mattergen

TmIrPb

data_[Tm3Ir3Pb3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Ir 2.2000 1.3500 0.7650 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.7733] _cell_length_b [7.7733] _cell_length_c [3.7401] _c...

14.466

0.075

0.5674

0.75

Mattergen

Tb2B5Ru3

data_[Tb4B10Ru6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 B 2.0400 0.8500 0.4100 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [10.3625] _cell_length_b [4.0310] _cell_length_c [8.1662] _cell...

8.176

0.058

0.3207

0.58

Mattergen

RbScCoSe3

data_[Rb4Sc4Co4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sc 1.3600 1.6000 0.8850 Co 1.8800 1.3500 0.7683 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.9087] _cell_length_b [15...

4.496

0.051

0.1764

0.51

Mattergen

KScRhCl6

data_[K2Sc2Rh2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sc 1.3600 1.6000 0.8850 Rh 2.2800 1.3500 0.7450 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [6.5965] _cell_length_b [10.936...

2.578

0.087

0.1011

0.87

Mattergen

Na2Sn2Cl7

data_[Na4Sn4Cl14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sn 1.9600 1.4500 0.8300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.8941] _cell_length_b [11.6227] _cell_length_c [7.6992] _...

2.221

0.088

0.0871

0.88

Mattergen

Pr2ErPd2

data_[Pr8Er4Pd8] 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 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.1102] _cell_length_b [4.0178] _cell_length_c [11.4913] _...

8.31

0.029

0.326

0.29

Mattergen

Cs2YbH4

data_[Cs4Yb2H8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Yb 1.1000 1.7500 1.0840 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.6156] _cell_length_b [4.6156] _cell_length_c [15.5002] _c...

4.454

0.027

0.1747

0.27

Mattergen

KBaTaS4

data_[K2Ba2Ta2S8] 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 Ta 1.5000 1.4500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.3319] _cell_length_b [7.011...

3.617

0.0

0.1419

0.0

Mattergen

La8Pt3RhCl4

data_[La24Pt9Rh3Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Pt 2.2800 1.3500 0.8050 Rh 2.2800 1.3500 0.7450 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.5144] _cell_length_b [8...

6.733

0.001

0.2641

0.01

Mattergen

Ba2BiPd2

data_[Ba8Bi4Pd8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Bi 2.0200 1.6000 1.0350 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.8146] _cell_length_b [6.2445] _cell_length_c [8.9918] _c...

7.849

0.043

0.3079

0.43

Mattergen

Y5Cd4Hg

data_[Y5Cd4Hg1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Cd 1.6900 1.5500 1.0900 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7817] _cell_length_b [3.7817] _cell_length_c [18.5039] _c...

6.869

0.003

0.2694

0.03

Mattergen

Pr2Zn3Ga4Cu

data_[Pr2Zn3Ga4Cu1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Zn 1.6500 1.3500 0.8800 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 [4.3023] _cell_length_b [4....

7.048

0.0

0.2765

0.0

Mattergen

Tm3(GaCo)4

data_[Tm6Ga8Co8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Ga 1.8100 1.3000 0.7600 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [7.2223] _cell_length_b [7.2223] _cell_length_c [7.2223] _c...

9.005

0.032

0.3532

0.32

Mattergen

EuAl3Cd

data_[Eu2Al6Cd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Al 1.6100 1.2500 0.6750 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [4.4639] _cell_length_b [4.4639] _cell_length_c [11.6191] _...

4.953

0.014

0.1943

0.14

Mattergen

NdHo2(TmBi2)3

data_[Nd2Ho4Tm6Bi12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ho 1.2300 1.7500 1.0410 Tm 1.2500 1.7500 1.0950 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [19.4313] _cell_length_b [4...

9.767

0.004

0.3831

0.04

Mattergen

TbYAs2

data_[Tb3Y3As6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Y 1.2200 1.8000 1.0400 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.1391] _cell_length_b [4.1391] _cell_length_c [20.2251] _cel...

6.602

0.001

0.259

0.01

Mattergen

Sm2Dy2ErTm

data_[Sm4Dy4Er2Tm2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Dy 1.2200 1.7500 1.1310 Er 1.2400 1.7500 1.0300 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [6.9296] _cell_length_b [5.6...

8.419

0.096

0.3302

0.96

Mattergen

Pr2Ga6Ru

data_[Pr2Ga6Ru1] 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 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [6.0803] _cell_length_b [6.0803] _cell_length_c [5.6205] _c...

7.393

0.076

0.29

0.76

Mattergen

Er5Rh4Au

data_[Er5Rh4Au1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Rh 2.2800 1.3500 0.7450 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.4206] _cell_length_b [3.4206] _cell_length_c [17.1851] ...

11.932

0.021

0.468

0.21

Mattergen

Y2Ga3GePd4

data_[Y2Ga3Ge1Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.1857] _cell_length_b [4.18...

7.818

0.067

0.3067

0.67

Mattergen

Er6CuTe2

data_[Er6Cu1Te2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Cu 1.9000 1.3500 0.8200 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [8.3624] _cell_length_b [8.3624] _cell_length_c [3.8976] _c...

9.302

0.002

0.3649

0.02

Mattergen

Na2Mn(NbSe3)2

data_[Na4Mn2Nb4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.5191] _cell_length_b [11...

4.824

0.065

0.1892

0.65

Mattergen

Li3La(DyTe3)2

data_[Li6La2Dy4Te12] 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 Dy 1.2200 1.7500 1.1310 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.6476] _cell_length_b [13...

5.804

0.015

0.2277

0.15

Mattergen

CaPr2HoBi4

data_[Ca1Pr2Ho1Bi4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Pr 1.1300 1.8500 1.0600 Ho 1.2300 1.7500 1.0410 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.9280] _cell_length_b [4.5...

8.021

0.046

0.3146

0.46

Mattergen

Ca2C2Cl

data_[Ca8C8Cl4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 C 2.5500 0.7000 0.3000 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [14.2475] _cell_length_b [4.1846] _cell_length_c [6.9506] _cel...

2.319

0.07

0.091

0.7

Mattergen

Ho8Te4C3N

data_[Ho24Te12C9N3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Te 2.1000 1.4000 1.2933 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.5962] _cell_length_b [7.596...

9.003

0.072

0.3531

0.72

Mattergen

TmPRh

data_[Tm4P4Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 P 2.1900 1.0000 0.5500 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [I4_1md] _cell_length_a [3.9045] _cell_length_b [3.9045] _cell_length_c [14.3629] _c...

9.186

0.022

0.3603

0.22

Mattergen

Rb(Tl2Sb)2

data_[Rb2Tl8Sb4] 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 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [5.1119] _cell_length_b [19.2053] _cell_length_c [5.1121] _c...

7.587

0.007

0.2976

0.07

Mattergen

NaTaO2

data_[Na2Ta2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.9699] _cell_length_b [2.9699] _cell_length_c [11.7205] ...

8.752

0.031

0.3433

0.31

Mattergen

TaRh3

data_[Ta4Rh12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.9188] _cell_length_b [3.9188] _cell_length_c [15.5730] _cell_angle_alpha [90.0000] _ce...

13.6

0.053

0.5335

0.53

Mattergen

CaGa2Au3

data_[Ca2Ga4Au6] 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 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.6195] _cell_length_b [4.6195] _cell_length_c [12.7332...

10.873

0.046

0.4265

0.46

Mattergen

CuAu

data_[Cu2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [2.8217] _cell_length_b [2.8217] _cell_length_c [8.9540] _cell_angle_alpha [90.0000] _cell_...

14.013

0.1

0.5497

1.0

Mattergen

CsH3O2

data_[Cs4H12O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [4.3887] _cell_length_b [11.8478] _cell_length_c [6.4203] _ce...

3.341

0.0

0.1311

0.0

Mattergen

NdY2ZrP4

data_[Nd1Y2Zr1P4] 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 Zr 1.3300 1.5500 0.8600 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [6.8892] _cell_length_b [3.9747]...

4.996

0.03

0.196

0.3

Mattergen

MgSnMoO6

data_[Mg2Sn2Mo2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sn 1.9600 1.4500 0.8300 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2nm] _cell_length_a [4.7851] _cell_length_b [4....

5.214

0.098

0.2045

0.98

Mattergen

NaDyAgCl5

data_[Na4Dy4Ag4Cl20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Dy 1.2200 1.7500 1.1310 Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.8562] _cell_length_b [13...

3.288

0.02

0.129

0.2

Mattergen

Ho2TlCd

data_[Ho2Tl1Cd1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Tl 1.6200 1.9000 1.3325 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7620] _cell_length_b [3.7620] _cell_length_c [7.4633] _...

10.166

0.006

0.3988

0.06

Mattergen

Cd7Hg6

data_[Cd21Hg18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.8236] _cell_length_b [5.8236] _cell_length_c [34.0706] _cell_angle_alpha [90.0000] _cel...

9.909

0.071

0.3887

0.71

Mattergen

Na4Ho3AsS8

data_[Na12Ho9As3S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ho 1.2300 1.7500 1.0410 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.8531] _cell_length_b [7.8...

4.283

0.031

0.168

0.31

Mattergen

La4SiCBr2

data_[La4Si1C1Br2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.1979] _cell_length_b [4.125...

5.55

0.044

0.2177

0.44

Mattergen

Ba2MgRuO6

data_[Ba8Mg4Ru4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mg 1.3100 1.5000 0.8600 Ru 2.2000 1.3000 0.6610 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.1606] _cell_length_b [8.1...

6.063

0.0

0.2378

0.0

Mattergen

Er2Ag3Sn

data_[Er16Ag24Sn8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Ag 1.9300 1.6000 1.0867 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Fmmm] _cell_length_a [6.7988] _cell_length_b [9.5578] _cell_length_c [16.7031] ...

9.508

0.082

0.373

0.82

Mattergen

Ce2P3Ir4Au

data_[Ce2P3Ir4Au1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 P 2.1900 1.0000 0.5500 Ir 2.2000 1.3500 0.7650 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.0003] _cell_length_b [4.00...

12.688

0.093

0.4977

0.93

Mattergen

Pr2Y3Ho6In

data_[Pr4Y6Ho12In2] 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 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 [6.1194] _cell_length_b [10.6...

7.292

0.052

0.286

0.52

Mattergen

Rb3(SnTe2)2

data_[Rb12Sn8Te16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sn 1.9600 1.4500 0.8300 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [14.3973] _cell_length_b [12.5254] _cell_length_c [9.5665]...

3.909

0.011

0.1533

0.11

Mattergen

Na5SrTl7

data_[Na10Sr2Tl14] 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 [Imm2] _cell_length_a [6.4331] _cell_length_b [11.0265] _cell_length_c [11.0607]...

6.913

0.057

0.2712

0.57

Mattergen

ErSe2

data_[Er2Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.0487] _cell_length_b [4.0487] _cell_length_c [8.2822] _cell_angle_alpha [90.0000] _cell...

7.955

0.042

0.312

0.42

Mattergen

Cs3Au2Br7

data_[Cs6Au4Br14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Au 2.5400 1.3500 1.0700 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [5.6081] _cell_length_b [27.7292] _cell_length_c [5.4810] _...

5.268

0.055

0.2066

0.55

Mattergen

NdDy4Er3

data_[Nd2Dy8Er6] 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 Er 1.2400 1.7500 1.0300 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [11.2362] _cell_length_b [7.2590] _cell_length_c [6.2819] ...

8.4

0.015

0.3295

0.15

Mattergen

NaCe(SiO3)2

data_[Na4Ce4Si8O24] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.4163] _cell_length_b [10....

3.761

0.03

0.1475

0.3

Mattergen

DyAl(ZnPt2)2

data_[Dy3Al3Zn6Pt12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Al 1.6100 1.2500 0.6750 Zn 1.6500 1.3500 0.8800 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.3821] _cell_length_b [4....

13.599

0.048

0.5334

0.48

Mattergen

Ca(BrO3)2

data_[Ca4Br8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.6393] _cell_length_b [8.7076] _cell_length_c [7.4294] _ce...

3.281

0.0

0.1287

0.0

Mattergen

CsZnAgCl4

data_[Cs2Zn2Ag2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Zn 1.6500 1.3500 0.8800 Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.4994] _cell_length_b [7...

3.435

0.013

0.1347

0.13

Mattergen

DyYTm

data_[Dy4Y4Tm4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Y 1.2200 1.8000 1.0400 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.0015] _cell_length_b [15.0090] _cell_length_c [4.9972] _cel...

7.443

0.031

0.292

0.31

Mattergen

Na2Ca2Ag15

data_[Na6Ca6Ag45] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [9.7566] _cell_length_b [9.7566] _cell_length_c [14.4589] _...

7.289

0.025

0.2859

0.25

Mattergen

HoTm7

data_[Ho4Tm28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.8621] _cell_length_b [9.8621] _cell_length_c [9.8621] _cell_angle_alpha [90.0000] _cell...

9.331

0.028

0.366

0.28

Mattergen

CdHg2

data_[Cd4Hg8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [14.0461] _cell_length_b [3.3039] _cell_length_c [7.1199] _cell_angle_alpha [90.0000] _cell_...

10.981

0.037

0.4307

0.37

Mattergen

CrRuRh3

data_[Cr4Ru4Rh12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ru 2.2000 1.3000 0.6610 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.6104] _cell_length_b [2.7089] _cell_length_c [8.9340] _...

11.124

0.085

0.4363

0.85

Mattergen

Sr2HgBi

data_[Sr2Hg1Bi1] 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 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.1723] _cell_length_b [4.1723] _cell_length_c [7.8521] _...

7.104

0.051

0.2787

0.51

Mattergen

Ho2PbN

data_[Ho4Pb2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.5218] _cell_length_b [3.5218] _cell_length_c [15.7408] ...

10.824

0.0

0.4246

0.0

Mattergen

La2Cu3Ge4Ir

data_[La2Cu3Ge4Ir1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cu 1.9000 1.3500 0.8200 Ge 2.0100 1.2500 0.7700 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.2579] _cell_length_b [4....

8.533

0.095

0.3347

0.95

Mattergen

Tb2Cd3Ni2

data_[Tb4Cd6Ni4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Cd 1.6900 1.5500 1.0900 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.1347] _cell_length_b [3.9283] _cell_length_c [7.5068] _c...

8.654

0.028

0.3395

0.28