c-bone/mpdb-2prop_clean · Datasets at Hugging Face

Database stringclasses 1 value	Reduced Formula stringlengths 1 25	CIF stringlengths 762 8.74k	Bandgap (eV) stringlengths 3 6	Energy Above Hull (eV) stringlengths 3 5	norm_Bandgap (eV) stringlengths 3 6	norm_Energy Above Hull (eV) stringlengths 3 6
MP	GeBi2O5	data_[Ge4Bi8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [15.8534] _cell_length_b [5.6099] _cell_length_c [5.4816] _...	2.322	0.006	0.4886	0.0101
MP	CeAsO3	data_[Ce2As2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [4.4095] _cell_length_b [5.3294] _cell_length_c [6.1859] _ce...	0.061	0.153	0.044	0.128
MP	VF5	data_[V4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [5.0664] _cell_length_b [5.7677] _cell_length_c [12.9442] _cell_angle_alpha [90.0000] _ce...	3.091	0.007	0.5553	0.0115
MP	Sr3SiO5	data_[Sr12Si4O20] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/ncc] _cell_length_a [7.1272] _cell_length_b [7.1272] _cell_length_c [10.8381] ...	3.763	0.006	0.6028	0.0101
MP	Li3Nb2CrO6	data_[Li6Nb4Cr2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.7233] _cell_length_b [2.9...	0.394	0.089	0.1748	0.0849
MP	Na2Sr2Al2PO4F9	data_[Na8Sr8Al8P4O16F36] 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 Al 1.6100 1.2500 0.6750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group...	6.002	0.0	0.7192	0.0
MP	NaSr4(BN2)3	data_[Na2Sr8B6N12] 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 B 2.0400 0.8500 0.4100 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Im-3m] _cell_length_a [7.5915] _cell_length_b [7.591...	1.967	0.0	0.4515	0.0
MP	Sm9In(SiS7)3	data_[Sm54In6Si18S126] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 In 1.7800 1.5500 0.9400 Si 1.9000 1.1000 0.5400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [17.5634] _cell_length_b [17...	1.922	0.0	0.4464	0.0
MP	BaMn2Si2O7	data_[Ba8Mn16Si16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mn 1.5500 1.4000 0.6483 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 [7.4393] _cell_length_b [13...	2.646	0.0	0.5187	0.0
MP	Zn3(BO3)2	data_[Zn24B16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [24.5467] _cell_length_b [5.0842] _cell_length_c [8.4853] _cell...	2.718	0.019	0.525	0.0254
MP	DyBO3	data_[Dy4B4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.1890] _cell_length_b [6.3931] _cell_length_c [6.4104] _cell_a...	5.359	0.0	0.6905	0.0
MP	Li2CrFeO4	data_[Li8Cr4Fe4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [19.5964] _cell_length_b [2.9...	1.788	0.011	0.4307	0.0164
MP	KSm(WO4)2	data_[K4Sm4W8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sm 1.1700 1.8500 1.2290 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.9058] _cell_length_b [10.7382...	3.537	0.0	0.5877	0.0
MP	Hg3AsO4	data_[Hg12As4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.3311] _cell_length_b [5.2948] _cell_length_c [14.7022] ...	0.502	0.0	0.2056	0.0
MP	LiFeSiO4	data_[Li2Fe2Si2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [4.5395] _cell_length_b [4.5395...	2.628	0.079	0.5171	0.0775
MP	SiAs2	data_[Si8As16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [10.3510] _cell_length_b [15.2222] _cell_length_c [3.6935] _cell_angle_alpha [90.0000] _cel...	0.889	0.0	0.2939	0.0
MP	Sb2(SO4)3	data_[Sb8S12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [14.0325] _cell_length_b [9.1231] _cell_length_c [9.2953] _cel...	3.178	0.049	0.562	0.0535
MP	SrLiP	data_[Sr2Li2P2] 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 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.3848] _cell_length_b [4.3848] _cell_length_c [8.0627] _...	1.343	0.0	0.3712	0.0
MP	AgBi3S5	data_[Ag4Bi12S20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.6594] _cell_length_b [4.0607] _cell_length_c [16.6966] _...	0.526	0.0	0.212	0.0
MP	KPS3	data_[K4P4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [7.0064] _cell_length_b [8.6933] _cell_length_c [9.2833] _cell_an...	1.715	0.0	0.4218	0.0
MP	InGaBr4	data_[In4Ga4Br16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Ga 1.8100 1.3000 0.7600 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [9.2895] _cell_length_b [7.6205] _cell_length_c [13.3360] _...	2.929	0.0	0.5426	0.0
MP	TaNb(AgO3)2	data_[Ta4Nb4Ag8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12] _cell_length_a [5.6867] _cell_length_b [...	1.711	0.04	0.4213	0.0456
MP	K2GeAs2	data_[K8Ge4As8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ge 2.0100 1.2500 0.7700 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [7.0979] _cell_length_b [13.5298] _cell_length_c [6.6721] _cel...	0.844	0.0	0.285	0.0
MP	YB5O9	data_[Y4B20O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.3849] _cell_length_b [11.4889] _cell_length_c [8.1442] _cel...	5.319	0.0	0.6887	0.0
MP	Dy3CuGeS7	data_[Dy6Cu2Ge2S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Cu 1.9000 1.3500 0.8200 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [9.8843] _cell_length_b [9.88...	1.81	0.0	0.4333	0.0
MP	Ba3Dy(BO3)3	data_[Ba18Dy6B18O54] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3cm] _cell_length_a [9.5215] _cell_length_b [9....	3.853	0.0	0.6086	0.0
MP	Tb2Cu(GeO3)4	data_[Tb2Cu1Ge4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Cu 1.9000 1.3500 0.8200 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.9911] _cell_length_b [7.316...	0.716	0.03	0.2579	0.0364
MP	Na2LiPrCl6	data_[Na8Li4Pr4Cl24] 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 Pr 1.1300 1.8500 1.0600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.5083] _cell_length_b [...	3.981	0.17	0.6166	0.1384
MP	Hf3GeO8	data_[Hf6Ge2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [5.0039] _cell_length_b [5.0039] _cell_length_c [10.4752] _c...	4.55	0.03	0.6496	0.0364
MP	KMoO4	data_[K4Mo4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.5604] _cell_length_b [7.9160] _cell_length_c [8.4984] _cell_a...	0.668	0.165	0.247	0.1354
MP	K3Zn2F7	data_[K6Zn4F14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Zn 1.6500 1.3500 0.8800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.1420] _cell_length_b [4.1420] _cell_length_c [21.4652] _ce...	4.027	0.0	0.6194	0.0
MP	K2Al2O3F2	data_[K8Al8O12F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.3870] _cell_length_b [8.2862]...	4.022	0.012	0.6191	0.0176
MP	La6Sm2V5Cr3O20	data_[La24Sm8V20Cr12O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Sm 1.1700 1.8500 1.2290 V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_...	0.198	0.267	0.1074	0.1922
MP	CsB2P2HO9	data_[Cs4B8P8H4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [...	5.827	0.0	0.7117	0.0
MP	C8Cl3F2	data_[C32Cl12F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.1620] _cell_length_b [4.9304] _cell_length_c [15.6345] _...	2.155	0.167	0.4718	0.1366
MP	LiCrB2O5	data_[Li4Cr4B8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.9457] _cell_length_b [9.58...	2.87	0.051	0.5378	0.0552
MP	BaCuTeF	data_[Ba2Cu2Te2F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Cu 1.9000 1.3500 0.8200 Te 2.1000 1.4000 1.2933 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.4488] _cell_length_b [4.4...	0.988	0.0	0.3127	0.0
MP	Na4Sn2H26Se6O13	data_[Na8Sn4H52Se12O26] 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 H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_...	1.827	0.013	0.4354	0.0188
MP	BaAlSi5N7O2	data_[Ba1Al1Si5N7O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4...	4.016	0.0	0.6187	0.0
MP	Li2Nb4ZnO12	data_[Li6Nb12Zn3O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.6903] _cell_length_b [7.718...	3.048	0.026	0.552	0.0325
MP	LiSbP2O7	data_[Li2Sb2P4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sb 2.0500 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [4.9626] _cell_length_b [9.0019...	4.047	0.016	0.6206	0.0221
MP	Pr6S3(OF4)2	data_[Pr12S6O4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [13.7166] _cell_length_b [3.9188] ...	2.646	0.0	0.5187	0.0
MP	Li4Ti(Co4O9)2	data_[Li8Ti2Co16O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [2.8489] _cell_length_b [8...	0.228	0.086	0.119	0.0827
MP	Fe3C9S2O9	data_[Fe6C18S4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.8862] _cell_length_b [9.2109] ...	1.934	0.664	0.4478	0.3549
MP	RbUC3O8	data_[Rb4U4C12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 U 1.3800 1.7500 0.9913 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.1156] _cell_length_b [9.027...	1.927	0.05	0.447	0.0544
MP	MgPH13O9	data_[Mg3P3H39O27] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.8935] _cell_length_b [8.8935] _...	5.748	0.005	0.7082	0.0088
MP	OsC3I2O3	data_[Os4C12I8O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 C 2.5500 0.7000 0.3000 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.1960] _cell_length_b [7.8044...	1.796	0.0	0.4317	0.0
MP	CaMn2O4	data_[Ca4Mn8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [5.9184] _cell_length_b [5.9184] _cell_length_c [10.3305]...	1.229	0.038	0.3537	0.0438
MP	CuPb5Se4(ClO3)4	data_[Cu4Pb20Se16Cl16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Pb 2.3300 1.8000 1.1225 Se 2.5500 1.1500 1.0133 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_len...	0.685	0.0	0.2509	0.0
MP	NaH3C2O5	data_[Na2H6C4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.7301] _cell_length_b [6.5281] _...	3.183	0.062	0.5623	0.0643
MP	MgSb2H2F14	data_[Mg4Sb8H8F56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sb 2.0500 1.4500 0.8300 H 2.2000 0.2500 0.0000 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.6716] _cell_length_b [12.54...	4.5	0.0	0.6469	0.0
MP	Li2AgF5	data_[Li8Ag4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ag 1.9300 1.6000 1.0867 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.2316] _cell_length_b [5.2207] _cell_length_c [10.1711] _...	0.386	0.038	0.1724	0.0438
MP	NbTe2(SeI3)2	data_[Nb4Te8Se8I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Te 2.1000 1.4000 1.2933 Se 2.5500 1.1500 1.0133 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [11.5499] _cell_length_b [12.3...	0.937	0.001	0.3032	0.0024
MP	TaIn3O7	data_[Ta4In12O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.3193] _cell_length_b [10.5118] _cell_length_c [7.4939] _c...	1.464	0.109	0.3887	0.0992
MP	CsHoCdTe3	data_[Cs4Ho4Cd4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ho 1.2300 1.7500 1.0410 Cd 1.6900 1.5500 1.0900 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.5364] _cell_length_b [17...	1.547	0.0	0.4	0.0
MP	Ba4LiGa5Se12	data_[Ba8Li2Ga10Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Li 0.9800 1.4500 0.9000 Ga 1.8100 1.3000 0.7600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-42_1c] _cell_length_a [13.9009] _cell_length_...	1.735	0.023	0.4242	0.0295
MP	NaH9O5	data_[Na4H36O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [15.5065] _cell_length_b [4.0882] _cell_length_c [9.4372] _cell_...	4.714	0.0	0.6584	0.0
MP	NaNbS2	data_[Na2Nb2S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.4322] _cell_length_b [3.4322] _cell_length_c [14.2818] ...	0.625	0.0	0.2368	0.0
MP	AuS5N5Cl4	data_[Au2S10N10Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Au 2.5400 1.3500 1.0700 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.6540] _cell_length_b [12....	1.733	0.325	0.424	0.2208
MP	YBr3	data_[Y4Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.2820] _cell_length_b [12.5523] _cell_length_c [7.2992] _cell_angle_alpha [90.0000] _cell_a...	3.976	0.0	0.6163	0.0
MP	CsCo(CO)4	data_[Cs2Co2C8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Co 1.8800 1.3500 0.7683 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [8.6387] _cell_length_b [8.6387] ...	3.593	0.328	0.5915	0.2222
MP	Cs2Nb6PbCl18	data_[Cs6Nb18Pb3Cl54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Nb 1.6000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [9.7016] _cell_length_b [9....	1.064	0.0	0.3263	0.0
MP	BaFe2(PO4)2	data_[Ba1Fe2P2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.8269] _cell_length_b [4.9233] ...	3.521	0.008	0.5866	0.0128
MP	Ta6Pb4O19	data_[Ta24Pb16O76] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.0633] _cell_length_b [7.5125] _cell_length_c [18.4478] ...	0.549	0.026	0.2179	0.0325
MP	NaTaO3	data_[Na8Ta8O24] 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 [P1] _cell_length_a [7.4441] _cell_length_b [7.4450] _cell_length_c [12.6781] _cell...	3.407	0.096	0.5787	0.09
MP	Li9V14O35	data_[Li18V28O70] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [15.0074] _cell_length_b [4.8269] _cell_length_c [20.7524] _c...	0.507	0.073	0.2069	0.0729
MP	Mn6OF11	data_[Mn12O2F22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.9617] _cell_length_b [5.8910] _cell_length_c [16.2357] _cell...	0.413	0.041	0.1805	0.0465
MP	InSb2S4Cl	data_[In4Sb8S16Cl4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [20.2360] _cell_length_b [3.8...	1.552	0.0	0.4007	0.0
MP	SrH4Ir(OF3)2	data_[Sr4H16Ir4O8F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 H 2.2000 0.2500 0.0000 Ir 2.2000 1.3500 0.7650 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...	0.023	0.361	0.0205	0.2375
MP	NaIn(IO3)4	data_[Na2In2I8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 In 1.7800 1.5500 0.9400 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.3155] _cell_length_b [5.08...	3.022	0.0	0.55	0.0
MP	Sb2C6(Br3N)3	data_[Sb4C12Br18N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 C 2.5500 0.7000 0.3000 Br 2.9600 1.1500 0.8825 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [10.8487] _cell_length_b [8.68...	0.711	0.757	0.2567	0.3849
MP	Nb3ICl6	data_[Nb24I8Cl48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 I 2.6600 1.4000 1.2733 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [12.8917] _cell_length_b [12.8917] _cell_length_c [12.8917] ...	1.073	0.0	0.3278	0.0
MP	K2TiPCO7	data_[K4Ti2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ti 1.5400 1.4000 0.8517 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [...	0.135	0.112	0.0808	0.1012
MP	Ba2Cr7O14	data_[Ba6Cr21O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.8873] _cell_length_b [5.8873] _cell_length_c [28.0721] _c...	0.063	0.045	0.0451	0.0501
MP	Nb4P2S21	data_[Nb16P8S84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [27.0863] _cell_length_b [7.7993] _cell_length_c [13.1940] _cell...	1.192	0.0	0.3478	0.0
MP	Ta3Se12I	data_[Ta12Se48I4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Se 2.5500 1.1500 1.0133 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P4/mnc] _cell_length_a [9.7192] _cell_length_b [9.7192] _cell_length_c [19.3626] ...	0.18	0.0	0.1001	0.0
MP	Ba2Ge5Ir4	data_[Ba8Ge20Ir16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ge 2.0100 1.2500 0.7700 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [11.4536] _cell_length_b [6.8801] _cell_length_c [11.7388]...	0.201	0.0	0.1086	0.0
MP	AgClO4	data_[Ag2Cl2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [4.9662] _cell_length_b [5.5330] _cell_length_c [6.6475] _ce...	2.848	0.044	0.5359	0.0492
MP	Li3VOF4	data_[Li24V8O8F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.6807] _cell_length_b [10.2207] ...	1.564	0.1	0.4023	0.0929
MP	Li32Mn3Cr13O48	data_[Li32Mn3Cr13O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.0158] _cell_length_b [8.71...	0.978	0.029	0.3108	0.0354
MP	Fe2OF3	data_[Fe16O8F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.7301] _cell_length_b [6.2222] _cell_length_c [10.7259] _cel...	1.341	0.091	0.3709	0.0864
MP	SbH12C2N6F5	data_[Sb4H48C8N24F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [...	4.952	0.0	0.6707	0.0
MP	B2AsP	data_[B2As1P1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 As 2.1800 1.1500 0.6600 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [3.3087] _cell_length_b [3.3087] _cell_length_c [4.6846] _cell_...	1.062	0.068	0.3259	0.069
MP	LiVPO4	data_[Li4V4P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [5.7408] _cell_length_b [5.8085] ...	2.026	0.071	0.458	0.0714
MP	Fe(O2F)2	data_[Fe4O16F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [12.4258] _cell_length_b [5.4076] _cell_length_c [6.9184] _ce...	0.233	0.282	0.1209	0.1999
MP	RuS3Cl8	data_[Ru2S6Cl16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ru 2.2000 1.3000 0.6610 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.1831] _cell_length_b [8.4055] _cell_length_c [11.2133] _cel...	1.86	0.0	0.4392	0.0
MP	Na4TiO4	data_[Na16Ti4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [8.8184] _cell_length_b [8.6863] _cell_length_c [6.7933] _ce...	3.243	0.047	0.5668	0.0518
MP	Mn(InTe2)2	data_[Mn2In4Te8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 In 1.7800 1.5500 0.9400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [6.3140] _cell_length_b [6.3140] _cell_length_c [12.5609] _...	0.042	0.004	0.0329	0.0073
MP	TaTiMo2	data_[Ta2Ti2Mo4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 Mo 2.1600 1.4500 0.7750 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.1722] _cell_length_b [10.2774] _cell_length_c [14.9976] _...	0.015	4.435	0.0146	0.9278
MP	Cs2KCeI6	data_[Cs8K4Ce4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 Ce 1.1200 1.8500 1.0800 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [13.0283] _cell_length_b [13.0...	0.277	0.001	0.1368	0.0024
MP	CsMnH4Cl3O2	data_[Cs4Mn4H16Cl12O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Mn 1.5500 1.4000 0.6483 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pcca] _cell_length_...	3.942	0.0	0.6142	0.0
MP	Na4UO5	data_[Na8U2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 U 1.3800 1.7500 0.9913 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [7.6995] _cell_length_b [7.6995] _cell_length_c [4.6534] _cell_...	2.145	0.0	0.4707	0.0
MP	Li4V2Cr3Sb3O16	data_[Li4V2Cr3Sb3O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...	0.635	0.098	0.2392	0.0914
MP	SrCaI4	data_[Sr1Ca1I4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.4941] _cell_length_b [4.6828] _cell_length_c [8.1438] _cell...	3.801	0.0	0.6053	0.0
MP	V2H6C8N2O13	data_[V8H24C32N8O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [15.8...	0.045	1.114	0.0347	0.483
MP	VOF	data_[V8O8F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [6.2246] _cell_length_b [4.7140] _cell_length_c [9.9822] _cell_ang...	1.527	0.046	0.3973	0.0509
MP	Ba2Tb2Mn4O11	data_[Ba8Tb8Mn16O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Tb 1.1000 1.7500 0.9815 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [8.2613] _cell_length_b [15....	0.251	0.011	0.1275	0.0164
MP	Sr2Hf7O16	data_[Sr6Hf21O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Hf 1.3000 1.5500 0.8500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [6.4063] _cell_length_b [6.4063] _cell_length_c [26.8129] _ce...	4.441	0.003	0.6436	0.0058
MP	Ba3SrMg2(Si2O7)2	data_[Ba6Sr2Mg4Si8O28] 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 Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...	4.497	0.002	0.6467	0.0042
MP	ZnSiO3	data_[Zn6Si6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [4.8072] _cell_length_b [4.8072] _cell_length_c [14.0094] _cel...	3.594	0.15	0.5916	0.1261

MP

GeBi2O5

data_[Ge4Bi8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [15.8534] _cell_length_b [5.6099] _cell_length_c [5.4816] _...

2.322

0.006

0.4886

0.0101

MP

CeAsO3

data_[Ce2As2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [4.4095] _cell_length_b [5.3294] _cell_length_c [6.1859] _ce...

0.061

0.153

0.044

0.128

MP

VF5

data_[V4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [5.0664] _cell_length_b [5.7677] _cell_length_c [12.9442] _cell_angle_alpha [90.0000] _ce...

3.091

0.007

0.5553

0.0115

MP

Sr3SiO5

data_[Sr12Si4O20] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/ncc] _cell_length_a [7.1272] _cell_length_b [7.1272] _cell_length_c [10.8381] ...

3.763

0.006

0.6028

0.0101

MP

Li3Nb2CrO6

data_[Li6Nb4Cr2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.7233] _cell_length_b [2.9...

0.394

0.089

0.1748

0.0849

MP

Na2Sr2Al2PO4F9

data_[Na8Sr8Al8P4O16F36] 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 Al 1.6100 1.2500 0.6750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group...

6.002

0.0

0.7192

0.0

MP

NaSr4(BN2)3

data_[Na2Sr8B6N12] 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 B 2.0400 0.8500 0.4100 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Im-3m] _cell_length_a [7.5915] _cell_length_b [7.591...

1.967

0.0

0.4515

0.0

MP

Sm9In(SiS7)3

data_[Sm54In6Si18S126] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 In 1.7800 1.5500 0.9400 Si 1.9000 1.1000 0.5400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [17.5634] _cell_length_b [17...

1.922

0.0

0.4464

0.0

MP

BaMn2Si2O7

data_[Ba8Mn16Si16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mn 1.5500 1.4000 0.6483 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 [7.4393] _cell_length_b [13...

2.646

0.0

0.5187

0.0

MP

Zn3(BO3)2

data_[Zn24B16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [24.5467] _cell_length_b [5.0842] _cell_length_c [8.4853] _cell...

2.718

0.019

0.525

0.0254

MP

DyBO3

data_[Dy4B4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.1890] _cell_length_b [6.3931] _cell_length_c [6.4104] _cell_a...

5.359

0.0

0.6905

0.0

MP

Li2CrFeO4

data_[Li8Cr4Fe4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [19.5964] _cell_length_b [2.9...

1.788

0.011

0.4307

0.0164

MP

KSm(WO4)2

data_[K4Sm4W8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sm 1.1700 1.8500 1.2290 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.9058] _cell_length_b [10.7382...

3.537

0.0

0.5877

0.0

MP

Hg3AsO4

data_[Hg12As4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.3311] _cell_length_b [5.2948] _cell_length_c [14.7022] ...

0.502

0.0

0.2056

0.0

MP

LiFeSiO4

data_[Li2Fe2Si2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [4.5395] _cell_length_b [4.5395...

2.628

0.079

0.5171

0.0775

MP

SiAs2

data_[Si8As16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [10.3510] _cell_length_b [15.2222] _cell_length_c [3.6935] _cell_angle_alpha [90.0000] _cel...

0.889

0.0

0.2939

0.0

MP

Sb2(SO4)3

data_[Sb8S12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [14.0325] _cell_length_b [9.1231] _cell_length_c [9.2953] _cel...

3.178

0.049

0.562

0.0535

MP

SrLiP

data_[Sr2Li2P2] 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 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.3848] _cell_length_b [4.3848] _cell_length_c [8.0627] _...

1.343

0.0

0.3712

0.0

MP

AgBi3S5

data_[Ag4Bi12S20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.6594] _cell_length_b [4.0607] _cell_length_c [16.6966] _...

0.526

0.0

0.212

0.0

MP

KPS3

data_[K4P4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [7.0064] _cell_length_b [8.6933] _cell_length_c [9.2833] _cell_an...

1.715

0.0

0.4218

0.0

MP

InGaBr4

data_[In4Ga4Br16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Ga 1.8100 1.3000 0.7600 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [9.2895] _cell_length_b [7.6205] _cell_length_c [13.3360] _...

2.929

0.0

0.5426

0.0

MP

TaNb(AgO3)2

data_[Ta4Nb4Ag8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12] _cell_length_a [5.6867] _cell_length_b [...

1.711

0.04

0.4213

0.0456

MP

K2GeAs2

data_[K8Ge4As8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ge 2.0100 1.2500 0.7700 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [7.0979] _cell_length_b [13.5298] _cell_length_c [6.6721] _cel...

0.844

0.0

0.285

0.0

MP

YB5O9

data_[Y4B20O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.3849] _cell_length_b [11.4889] _cell_length_c [8.1442] _cel...

5.319

0.0

0.6887

0.0

MP

Dy3CuGeS7

data_[Dy6Cu2Ge2S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Cu 1.9000 1.3500 0.8200 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [9.8843] _cell_length_b [9.88...

1.81

0.0

0.4333

0.0

MP

Ba3Dy(BO3)3

data_[Ba18Dy6B18O54] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3cm] _cell_length_a [9.5215] _cell_length_b [9....

3.853

0.0

0.6086

0.0

MP

Tb2Cu(GeO3)4

data_[Tb2Cu1Ge4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Cu 1.9000 1.3500 0.8200 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.9911] _cell_length_b [7.316...

0.716

0.03

0.2579

0.0364

MP

Na2LiPrCl6

data_[Na8Li4Pr4Cl24] 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 Pr 1.1300 1.8500 1.0600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.5083] _cell_length_b [...

3.981

0.17

0.6166

0.1384

MP

Hf3GeO8

data_[Hf6Ge2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [5.0039] _cell_length_b [5.0039] _cell_length_c [10.4752] _c...

4.55

0.03

0.6496

0.0364

MP

KMoO4

data_[K4Mo4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.5604] _cell_length_b [7.9160] _cell_length_c [8.4984] _cell_a...

0.668

0.165

0.247

0.1354

MP

K3Zn2F7

data_[K6Zn4F14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Zn 1.6500 1.3500 0.8800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.1420] _cell_length_b [4.1420] _cell_length_c [21.4652] _ce...

4.027

0.0

0.6194

0.0

MP

K2Al2O3F2

data_[K8Al8O12F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.3870] _cell_length_b [8.2862]...

4.022

0.012

0.6191

0.0176

MP

La6Sm2V5Cr3O20

data_[La24Sm8V20Cr12O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Sm 1.1700 1.8500 1.2290 V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_...

0.198

0.267

0.1074

0.1922

MP

CsB2P2HO9

data_[Cs4B8P8H4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [...

5.827

0.0

0.7117

0.0

MP

C8Cl3F2

data_[C32Cl12F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.1620] _cell_length_b [4.9304] _cell_length_c [15.6345] _...

2.155

0.167

0.4718

0.1366

MP

LiCrB2O5

data_[Li4Cr4B8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.9457] _cell_length_b [9.58...

2.87

0.051

0.5378

0.0552

MP

BaCuTeF

data_[Ba2Cu2Te2F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Cu 1.9000 1.3500 0.8200 Te 2.1000 1.4000 1.2933 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.4488] _cell_length_b [4.4...

0.988

0.0

0.3127

0.0

MP

Na4Sn2H26Se6O13

data_[Na8Sn4H52Se12O26] 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 H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_...

1.827

0.013

0.4354

0.0188

MP

BaAlSi5N7O2

data_[Ba1Al1Si5N7O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4...

4.016

0.0

0.6187

0.0

MP

Li2Nb4ZnO12

data_[Li6Nb12Zn3O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.6903] _cell_length_b [7.718...

3.048

0.026

0.552

0.0325

MP

LiSbP2O7

data_[Li2Sb2P4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sb 2.0500 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [4.9626] _cell_length_b [9.0019...

4.047

0.016

0.6206

0.0221

MP

Pr6S3(OF4)2

data_[Pr12S6O4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [13.7166] _cell_length_b [3.9188] ...

2.646

0.0

0.5187

0.0

MP

Li4Ti(Co4O9)2

data_[Li8Ti2Co16O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [2.8489] _cell_length_b [8...

0.228

0.086

0.119

0.0827

MP

Fe3C9S2O9

data_[Fe6C18S4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.8862] _cell_length_b [9.2109] ...

1.934

0.664

0.4478

0.3549

MP

RbUC3O8

data_[Rb4U4C12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 U 1.3800 1.7500 0.9913 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.1156] _cell_length_b [9.027...

1.927

0.05

0.447

0.0544

MP

MgPH13O9

data_[Mg3P3H39O27] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.8935] _cell_length_b [8.8935] _...

5.748

0.005

0.7082

0.0088

MP

OsC3I2O3

data_[Os4C12I8O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 C 2.5500 0.7000 0.3000 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.1960] _cell_length_b [7.8044...

1.796

0.0

0.4317

0.0

MP

CaMn2O4

data_[Ca4Mn8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [5.9184] _cell_length_b [5.9184] _cell_length_c [10.3305]...

1.229

0.038

0.3537

0.0438

MP

CuPb5Se4(ClO3)4

data_[Cu4Pb20Se16Cl16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Pb 2.3300 1.8000 1.1225 Se 2.5500 1.1500 1.0133 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_len...

0.685

0.0

0.2509

0.0

MP

NaH3C2O5

data_[Na2H6C4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.7301] _cell_length_b [6.5281] _...

3.183

0.062

0.5623

0.0643

MP

MgSb2H2F14

data_[Mg4Sb8H8F56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sb 2.0500 1.4500 0.8300 H 2.2000 0.2500 0.0000 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.6716] _cell_length_b [12.54...

4.5

0.0

0.6469

0.0

MP

Li2AgF5

data_[Li8Ag4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ag 1.9300 1.6000 1.0867 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.2316] _cell_length_b [5.2207] _cell_length_c [10.1711] _...

0.386

0.038

0.1724

0.0438

MP

NbTe2(SeI3)2

data_[Nb4Te8Se8I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Te 2.1000 1.4000 1.2933 Se 2.5500 1.1500 1.0133 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [11.5499] _cell_length_b [12.3...

0.937

0.001

0.3032

0.0024

MP

TaIn3O7

data_[Ta4In12O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.3193] _cell_length_b [10.5118] _cell_length_c [7.4939] _c...

1.464

0.109

0.3887

0.0992

MP

CsHoCdTe3

data_[Cs4Ho4Cd4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ho 1.2300 1.7500 1.0410 Cd 1.6900 1.5500 1.0900 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.5364] _cell_length_b [17...

1.547

0.0

0.4

0.0

MP

Ba4LiGa5Se12

data_[Ba8Li2Ga10Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Li 0.9800 1.4500 0.9000 Ga 1.8100 1.3000 0.7600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-42_1c] _cell_length_a [13.9009] _cell_length_...

1.735

0.023

0.4242

0.0295

MP

NaH9O5

data_[Na4H36O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [15.5065] _cell_length_b [4.0882] _cell_length_c [9.4372] _cell_...

4.714

0.0

0.6584

0.0

MP

NaNbS2

data_[Na2Nb2S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.4322] _cell_length_b [3.4322] _cell_length_c [14.2818] ...

0.625

0.0

0.2368

0.0

MP

AuS5N5Cl4

data_[Au2S10N10Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Au 2.5400 1.3500 1.0700 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.6540] _cell_length_b [12....

1.733

0.325

0.424

0.2208

MP

YBr3

data_[Y4Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.2820] _cell_length_b [12.5523] _cell_length_c [7.2992] _cell_angle_alpha [90.0000] _cell_a...

3.976

0.0

0.6163

0.0

MP

CsCo(CO)4

data_[Cs2Co2C8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Co 1.8800 1.3500 0.7683 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [8.6387] _cell_length_b [8.6387] ...

3.593

0.328

0.5915

0.2222

MP

Cs2Nb6PbCl18

data_[Cs6Nb18Pb3Cl54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Nb 1.6000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [9.7016] _cell_length_b [9....

1.064

0.0

0.3263

0.0

MP

BaFe2(PO4)2

data_[Ba1Fe2P2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.8269] _cell_length_b [4.9233] ...

3.521

0.008

0.5866

0.0128

MP

Ta6Pb4O19

data_[Ta24Pb16O76] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.0633] _cell_length_b [7.5125] _cell_length_c [18.4478] ...

0.549

0.026

0.2179

0.0325

MP

NaTaO3

data_[Na8Ta8O24] 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 [P1] _cell_length_a [7.4441] _cell_length_b [7.4450] _cell_length_c [12.6781] _cell...

3.407

0.096

0.5787

0.09

MP

Li9V14O35

data_[Li18V28O70] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [15.0074] _cell_length_b [4.8269] _cell_length_c [20.7524] _c...

0.507

0.073

0.2069

0.0729

MP

Mn6OF11

data_[Mn12O2F22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.9617] _cell_length_b [5.8910] _cell_length_c [16.2357] _cell...

0.413

0.041

0.1805

0.0465

MP

InSb2S4Cl

data_[In4Sb8S16Cl4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [20.2360] _cell_length_b [3.8...

1.552

0.0

0.4007

0.0

MP

SrH4Ir(OF3)2

data_[Sr4H16Ir4O8F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 H 2.2000 0.2500 0.0000 Ir 2.2000 1.3500 0.7650 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...

0.023

0.361

0.0205

0.2375

MP

NaIn(IO3)4

data_[Na2In2I8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 In 1.7800 1.5500 0.9400 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.3155] _cell_length_b [5.08...

3.022

0.0

0.55

0.0

MP

Sb2C6(Br3N)3

data_[Sb4C12Br18N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 C 2.5500 0.7000 0.3000 Br 2.9600 1.1500 0.8825 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [10.8487] _cell_length_b [8.68...

0.711

0.757

0.2567

0.3849

MP

Nb3ICl6

data_[Nb24I8Cl48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 I 2.6600 1.4000 1.2733 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [12.8917] _cell_length_b [12.8917] _cell_length_c [12.8917] ...

1.073

0.0

0.3278

0.0

MP

K2TiPCO7

data_[K4Ti2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ti 1.5400 1.4000 0.8517 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [...

0.135

0.112

0.0808

0.1012

MP

Ba2Cr7O14

data_[Ba6Cr21O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.8873] _cell_length_b [5.8873] _cell_length_c [28.0721] _c...

0.063

0.045

0.0451

0.0501

MP

Nb4P2S21

data_[Nb16P8S84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [27.0863] _cell_length_b [7.7993] _cell_length_c [13.1940] _cell...

1.192

0.0

0.3478

0.0

MP

Ta3Se12I

data_[Ta12Se48I4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Se 2.5500 1.1500 1.0133 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P4/mnc] _cell_length_a [9.7192] _cell_length_b [9.7192] _cell_length_c [19.3626] ...

0.18

0.0

0.1001

0.0

MP

Ba2Ge5Ir4

data_[Ba8Ge20Ir16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ge 2.0100 1.2500 0.7700 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [11.4536] _cell_length_b [6.8801] _cell_length_c [11.7388]...

0.201

0.0

0.1086

0.0

MP

AgClO4

data_[Ag2Cl2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [4.9662] _cell_length_b [5.5330] _cell_length_c [6.6475] _ce...

2.848

0.044

0.5359

0.0492

MP

Li3VOF4

data_[Li24V8O8F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.6807] _cell_length_b [10.2207] ...

1.564

0.1

0.4023

0.0929

MP

Li32Mn3Cr13O48

data_[Li32Mn3Cr13O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.0158] _cell_length_b [8.71...

0.978

0.029

0.3108

0.0354

MP

Fe2OF3

data_[Fe16O8F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.7301] _cell_length_b [6.2222] _cell_length_c [10.7259] _cel...

1.341

0.091

0.3709

0.0864

MP

SbH12C2N6F5

data_[Sb4H48C8N24F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [...

4.952

0.0

0.6707

0.0

MP

B2AsP

data_[B2As1P1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 As 2.1800 1.1500 0.6600 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [3.3087] _cell_length_b [3.3087] _cell_length_c [4.6846] _cell_...

1.062

0.068

0.3259

0.069

MP

LiVPO4

data_[Li4V4P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [5.7408] _cell_length_b [5.8085] ...

2.026

0.071

0.458

0.0714

MP

Fe(O2F)2

data_[Fe4O16F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [12.4258] _cell_length_b [5.4076] _cell_length_c [6.9184] _ce...

0.233

0.282

0.1209

0.1999

MP

RuS3Cl8

data_[Ru2S6Cl16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ru 2.2000 1.3000 0.6610 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.1831] _cell_length_b [8.4055] _cell_length_c [11.2133] _cel...

1.86

0.0

0.4392

0.0

MP

Na4TiO4

data_[Na16Ti4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [8.8184] _cell_length_b [8.6863] _cell_length_c [6.7933] _ce...

3.243

0.047

0.5668

0.0518

MP

Mn(InTe2)2

data_[Mn2In4Te8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 In 1.7800 1.5500 0.9400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [6.3140] _cell_length_b [6.3140] _cell_length_c [12.5609] _...

0.042

0.004

0.0329

0.0073

MP

TaTiMo2

data_[Ta2Ti2Mo4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 Mo 2.1600 1.4500 0.7750 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.1722] _cell_length_b [10.2774] _cell_length_c [14.9976] _...

0.015

4.435

0.0146

0.9278

MP

Cs2KCeI6

data_[Cs8K4Ce4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 Ce 1.1200 1.8500 1.0800 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [13.0283] _cell_length_b [13.0...

0.277

0.001

0.1368

0.0024

MP

CsMnH4Cl3O2

data_[Cs4Mn4H16Cl12O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Mn 1.5500 1.4000 0.6483 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pcca] _cell_length_...

3.942

0.0

0.6142

0.0

MP

Na4UO5

data_[Na8U2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 U 1.3800 1.7500 0.9913 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [7.6995] _cell_length_b [7.6995] _cell_length_c [4.6534] _cell_...

2.145

0.0

0.4707

0.0

MP

Li4V2Cr3Sb3O16

data_[Li4V2Cr3Sb3O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...

0.635

0.098

0.2392

0.0914

MP

SrCaI4

data_[Sr1Ca1I4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.4941] _cell_length_b [4.6828] _cell_length_c [8.1438] _cell...

3.801

0.0

0.6053

0.0

MP

V2H6C8N2O13

data_[V8H24C32N8O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [15.8...

0.045

1.114

0.0347

0.483

MP

VOF

data_[V8O8F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [6.2246] _cell_length_b [4.7140] _cell_length_c [9.9822] _cell_ang...

1.527

0.046

0.3973

0.0509

MP

Ba2Tb2Mn4O11

data_[Ba8Tb8Mn16O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Tb 1.1000 1.7500 0.9815 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [8.2613] _cell_length_b [15....

0.251

0.011

0.1275

0.0164

MP

Sr2Hf7O16

data_[Sr6Hf21O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Hf 1.3000 1.5500 0.8500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [6.4063] _cell_length_b [6.4063] _cell_length_c [26.8129] _ce...

4.441

0.003

0.6436

0.0058

MP

Ba3SrMg2(Si2O7)2

data_[Ba6Sr2Mg4Si8O28] 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 Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...

4.497

0.002

0.6467

0.0042

MP

ZnSiO3

data_[Zn6Si6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [4.8072] _cell_length_b [4.8072] _cell_length_c [14.0094] _cel...

3.594

0.15

0.5916

0.1261