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	LiAlO2	data_[Li3Al3O6] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [2.8281] _cell_length_b [2.8281] _cell_length_c [14.3882] _cel...	6.118	0.0	0.724	0.0
MP	Li3Fe(BO3)2	data_[Li6Fe2B4O12] 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 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 [5.2235] _cell_length_b [6.8839]...	2.52	0.278	0.5074	0.1978
MP	Na3Mo2N5	data_[Na24Mo16N40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [I4_1] _cell_length_a [12.1418] _cell_length_b [12.1418] _cell_length_c [8.7001] ...	1.818	0.0	0.4343	0.0
MP	TlCo(NCl)6	data_[Tl4Co4N24Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Co 1.8800 1.3500 0.7683 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [10.6512] _cell_length_b [10.8...	0.438	1.241	0.1878	0.5129
MP	Rb2CdCl4	data_[Rb4Cd2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Cd 1.6900 1.5500 1.0900 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.3136] _cell_length_b [5.3136] _cell_length_c [16.3930] ...	3.168	0.008	0.5612	0.0128
MP	H18PbC6S4N2O9	data_[H36Pb2C12S8N4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_na...	4.974	0.297	0.6718	0.2073
MP	SnPbS3	data_[Sn4Pb4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.0663] _cell_length_b [3.8548] _cell_length_c [14.4328] _ce...	1.093	0.007	0.3313	0.0115
MP	HfI4	data_[Hf8I32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.5787] _cell_length_b [12.4946] _cell_length_c [13.2938] _cell_angle_alpha [90.0000] _cell...	2.349	0.0	0.4913	0.0
MP	HfMg30NiO32	data_[Hf1Mg30Ni1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mg 1.3100 1.5000 0.8600 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5578] _cell_length_b [8...	0.014	0.094	0.0138	0.0886
MP	GaBO3	data_[Ga6B6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [4.6206] _cell_length_b [4.6206] _cell_length_c [14.4218] _cell...	3.864	0.004	0.6093	0.0073
MP	Sm6Th4O17	data_[Sm18Th12O51] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Th 1.3000 1.8000 1.0800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [3.9045] _cell_length_b [3.9045] _cell_length_c [98.7054] _c...	1.923	0.082	0.4465	0.0798
MP	Ca3TaGa3(SiO7)2	data_[Ca3Ta1Ga3Si2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ta 1.5000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length...	3.912	0.0	0.6123	0.0
MP	TlSbWO6	data_[Tl4Sb4W4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Sb 2.0500 1.4500 0.8300 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ima2] _cell_length_a [7.3122] _cell_length_b [10.464...	2.769	0.0	0.5293	0.0
MP	SiO2	data_[Si4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [4.3037] _cell_length_b [4.2518] _cell_length_c [8.2618] _cell_angle_alpha [90.0000] _cell_angle...	3.602	0.366	0.5922	0.2397
MP	NaNbO3	data_[Na24Nb24O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.9696] _cell_length_b [7.9264] _cell_length_c [23.7033] _...	1.805	0.025	0.4327	0.0315
MP	CsUSbO6	data_[Cs4U4Sb4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 U 1.3800 1.7500 0.9913 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.4161] _cell_length_b [7.9597...	1.682	0.0	0.4176	0.0
MP	Li5TiV3O8	data_[Li20Ti4V12O32] 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 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [8.5400] _cell_length_b...	0.693	0.101	0.2527	0.0936
MP	Zn(C4N3)2	data_[Zn2C16N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pmna] _cell_length_a [7.4919] _cell_length_b [5.3926] _cell_length_c [10.6517] _cel...	3.036	0.325	0.5511	0.2208
MP	CdPbS2	data_[Cd3Pb3S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.0786] _cell_length_b [4.0786] _cell_length_c [19.8678] _cel...	0.925	0.079	0.3009	0.0775
MP	Na7La7Th2Ti18O54	data_[Na28La28Th8Ti72O216] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 La 1.1000 1.9500 1.1720 Th 1.3000 1.8000 1.0800 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fmm2] _cell_le...	1.925	0.047	0.4467	0.0518
MP	SnH6CI3N	data_[Sn4H24C4I12N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8...	0.956	0.032	0.3068	0.0383
MP	Th4Ta18O53	data_[Th4Ta18O53] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Th 1.3000 1.8000 1.0800 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3] _cell_length_a [6.4139] _cell_length_b [6.4139] _cell_length_c [28.1124] _cel...	1.612	0.065	0.4086	0.0667
MP	RbMo3Cl7	data_[Rb8Mo24Cl56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Mo 2.1600 1.4500 0.7750 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [19.8572] _cell_length_b [15.1467] _cell_length_c [9.5203]...	2.577	0.0	0.5126	0.0
MP	Ga2PbSe4	data_[Ga64Pb32Se128] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Pb 2.3300 1.8000 1.1225 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [12.9009] _cell_length_b [21.6085] _cell_length_c [21.98...	2.031	0.0	0.4586	0.0
MP	ZnS	data_[Zn22S22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.8532] _cell_length_b [3.8532] _cell_length_c [69.2484] _cell_angle_alpha [90.0000] _cell_...	2.016	0.0	0.4569	0.0
MP	Li5Fe7O3F13	data_[Li10Fe14O6F26] 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 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.7452] _cell_length_b [6.071...	0.68	0.113	0.2497	0.1019
MP	Ge6Bi7O22	data_[Ge6Bi7O22] 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 [P1] _cell_length_a [9.1381] _cell_length_b [9.2457] _cell_length_c [9.2633] _cell_...	0.667	0.124	0.2467	0.1093
MP	Ba3Li2V2Cl4O7	data_[Ba12Li8V8Cl16O28] 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 V 1.6300 1.3500 0.7775 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length...	3.15	0.01	0.5598	0.0152
MP	Sr(AlS2)2	data_[Sr32Al64S128] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Al 1.6100 1.2500 0.6750 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [12.2277] _cell_length_b [20.6360] _cell_length_c [21.2235...	3.64	0.0	0.5947	0.0
MP	Ba3Al2(Sb2O7)3	data_[Ba6Al4Sb12O42] 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 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [14.3651] _cell_length_b [5.22...	1.358	0.223	0.3734	0.1689
MP	Cs3Li2Cl5	data_[Cs6Li4Cl10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Li 0.9800 1.4500 0.9000 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [7.2462] _cell_length_b [24.5773] _cell_length_c [4.2438] _ce...	5.089	0.027	0.6776	0.0335
MP	Li3CuO3	data_[Li12Cu4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [8.7959] _cell_length_b [8.7959] _cell_length_c [3.6296]...	1.178	0.0	0.3455	0.0
MP	NaCr(WO4)2	data_[Na2Cr2W4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cr 1.6600 1.4000 0.9400 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [9.9799] _cell_length_b [5.8062...	2.267	0.007	0.4832	0.0115
MP	Li3Mn3TeO8	data_[Li12Mn12Te4O32] 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 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.8123] _cell_length_b [6...	0.723	0.044	0.2594	0.0492
MP	Sr3CdO4	data_[Sr3Cd1O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cd 1.6900 1.5500 1.0900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [5.1097] _cell_length_b [5.1097] _cell_length_c [5.1097] _cel...	0.541	0.019	0.2159	0.0254
MP	Li5Nb2Co3O10	data_[Li5Nb2Co3O10] 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 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.2099] _cell_length_b [5.306...	0.864	0.093	0.289	0.0879
MP	RbSbS(O2F)2	data_[Rb4Sb4S4O16F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sb 2.0500 1.4500 0.8300 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 [Pna2_1] _cell_length_a...	4.687	0.0	0.657	0.0
MP	KCdCl3	data_[K4Cd4Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cd 1.6900 1.5500 1.0900 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.0136] _cell_length_b [4.0697] _cell_length_c [14.9068] _ce...	3.51	0.0	0.5859	0.0
MP	Na6Sn2O7	data_[Na24Sn8O28] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.4877] _cell_length_b [6.6289] _cell_length_c [11.0500] _...	1.601	0.074	0.4072	0.0737
MP	CaSn2S5	data_[Ca4Sn8S20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [9.5319] _cell_length_b [10.8651] _cell_length_c [7.5043] _ce...	0.817	0.085	0.2795	0.082
MP	Bi4Te7Pb	data_[Bi4Te7Pb1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.4749] _cell_length_b [4.4749] _cell_length_c [24.6641] _...	0.422	0.001	0.1831	0.0024
MP	Ga2(MoO4)3	data_[Ga16Mo24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [16.0758] _cell_length_b [9.3934] _cell_length_c [16.0576...	3.667	0.0	0.5965	0.0
MP	Li2Fe3SnO8	data_[Li4Fe6Sn2O16] 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 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.3492] _cell_length_b [6.0...	0.17	0.024	0.096	0.0305
MP	HfMg30CuO32	data_[Hf1Mg30Cu1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mg 1.3100 1.5000 0.8600 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5838] _cell_length_b [8...	0.012	0.088	0.0122	0.0842
MP	FeO	data_[Fe40O40] 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 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.9449] _cell_length_b [10.4574] _cell_length_c [10.6591] _cell_angle_alpha [81.2191] _cell_a...	0.291	0.278	0.1417	0.1978
MP	Ag2SnSe3	data_[Ag32Sn16Se48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Sn 1.9600 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [7.5175] _cell_length_b [12.9747] _cell_length_c [28.5216] ...	0.059	0.004	0.0429	0.0073
MP	LiFeB2O5	data_[Li8Fe8B16O40] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.2493] _cell_length_b [10.4...	2.804	0.044	0.5323	0.0492
MP	Li3V4O5F7	data_[Li3V4O5F7] 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 [5.7735] _cell_length_b [5.8636] _ce...	1.21	0.098	0.3507	0.0914
MP	Ba3MgTiWO9	data_[Ba6Mg2Ti2W2O18] 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 Ti 1.5400 1.4000 0.8517 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length...	3.083	0.006	0.5547	0.0101
MP	YN	data_[Y4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [5.2960] _cell_length_b [5.2960] _cell_length_c [5.2960] _cell_angle_alpha [90.0000] _cell_angl...	2.069	0.248	0.4627	0.1824
MP	Na3SiTe3	data_[Na12Si4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Si 1.9000 1.1000 0.5400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.8928] _cell_length_b [12.8972] _cell_length_c [9.0184...	1.94	0.0	0.4484	0.0
MP	Li3AlFeO4	data_[Li48Al16Fe16O64] 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 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [10.7023] _cell_length_b...	2.503	0.027	0.5058	0.0335
MP	KB6S4(Cl3O4)2	data_[K4B24S16Cl24O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 B 2.0400 0.8500 0.4100 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...	1.754	0.565	0.4266	0.3203
MP	Fe2P3(O3F)3	data_[Fe12P18O54F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [14.6323] _cell_length_b [14...	2.503	0.0	0.5058	0.0
MP	LiVF6	data_[Li2V2F12] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.0443] _cell_length_b [8.6372] _cell_length_c [5.1667] _cell_...	3.164	0.046	0.5609	0.0509
MP	Ba3Te3(BrO4)2	data_[Ba12Te12Br8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Te 2.1000 1.4000 1.2933 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.8505] _cell_length_b [6...	3.296	0.0	0.5707	0.0
MP	SrMg30CuO32	data_[Sr1Mg30Cu1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Mg 1.3100 1.5000 0.8600 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6278] _cell_length_b [8...	0.572	0.048	0.2238	0.0526
MP	K2RbGdCl6	data_[K8Rb4Gd4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 Gd 1.2000 1.8000 1.0750 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.5307] _cell_length_b [11...	3.231	0.095	0.5659	0.0893
MP	VPO5	data_[V8P8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P4_2/mbc] _cell_length_a [9.3761] _cell_length_b [9.3761] _cell_length_c [8.7459] _cel...	2.012	0.002	0.4565	0.0042
MP	InH8C4NO10	data_[In3H24C12N3O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 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 [P6_222] _cell_length_a...	3.567	0.028	0.5898	0.0345
MP	SnICl	data_[Sn4I4Cl4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 I 2.6600 1.4000 1.2733 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.0147] _cell_length_b [4.4320] _cell_length_c [10.5102] _cel...	2.512	0.0	0.5067	0.0
MP	SrCdB2O5	data_[Sr8Cd8B16O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cd 1.6900 1.5500 1.0900 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.7290] _cell_length_b [10.32...	3.531	0.0	0.5873	0.0
MP	KHO	data_[K2H2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [4.0540] _cell_length_b [3.9839] _cell_length_c [5.7537] _cell_ang...	3.619	0.0	0.5933	0.0
MP	KNb4AsO13	data_[K4Nb16As4O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [10.6736] _cell_length_b [10...	2.415	0.0	0.4976	0.0
MP	NiBiPO5	data_[Ni4Bi4P4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 Bi 2.0200 1.6000 1.0350 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.2486] _cell_length_b [11.3...	3.853	0.0	0.6086	0.0
MP	BPBr6	data_[B4P4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.3428] _cell_length_b [11.9348] _cell_length_c [7.6091] _cel...	2.725	0.0	0.5256	0.0
MP	Ti3(BiO3)4	data_[Ti6Bi8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.8381] _cell_length_b [3.8381] _cell_length_c [33.2418] _...	1.102	0.065	0.3328	0.0667
MP	Tl4PbSe3	data_[Tl16Pb4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Pb 2.3300 1.8000 1.1225 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P4/ncc] _cell_length_a [8.6335] _cell_length_b [8.6335] _cell_length_c [13.2499...	0.281	0.0	0.1382	0.0
MP	La(IO3)4	data_[La4I16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 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 [10.7571] _cell_length_b [7.7450] _cell_length_c [14.5366] _...	0.014	0.049	0.0138	0.0535
MP	K4B10H4O19	data_[K16B40H16O76] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [18.3910] _cell_length_b [6.9566...	5.12	0.0	0.6791	0.0
MP	LiYS2	data_[Li4Y4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Y 1.2200 1.8000 1.0400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [5.4495] _cell_length_b [5.4495] _cell_length_c [11.1365] _c...	2.066	0.006	0.4623	0.0101
MP	In4Bi2S9	data_[In8Bi4S18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [11.3209] _cell_length_b [3.9778] _cell_length_c [16.5342] ...	1.631	0.002	0.4111	0.0042
MP	LiV2(PO4)3	data_[Li4V8P12O48] 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 [Pbcm] _cell_length_a [8.7436] _cell_length_b [8.8673]...	0.66	0.078	0.2451	0.0768
MP	K2Tc9O27F11	data_[K8Tc36O108F44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Tc 1.9000 1.3500 0.7417 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_a [8.5645] _cell_length_b [14....	2.654	0.0	0.5194	0.0
MP	Zn2SiO4	data_[Zn8Si4O16] 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 [P2_1/c] _cell_length_a [5.5508] _cell_length_b [8.0901] _cell_length_c [9.0482] _c...	2.469	0.111	0.5027	0.1005
MP	InTeO3F	data_[In4Te4O12F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Te 2.1000 1.4000 1.2933 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_a [8.3143] _cell_length_b [5.51...	3.178	0.0	0.562	0.0
MP	CsAg(BH)10	data_[Cs4Ag4B40H40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ag 1.9300 1.6000 1.0867 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [10.0573] _cell_length_b [10.9...	3.953	0.086	0.6149	0.0827
MP	Pr2Ti2S2O5	data_[Pr4Ti4S4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ti 1.5400 1.4000 0.8517 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.8889] _cell_length_b [3.88...	0.841	0.0	0.2844	0.0
MP	KCrF3	data_[K4Cr4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cr 1.6600 1.4000 0.9400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [5.9609] _cell_length_b [5.9609] _cell_length_c [8.6944] _cell_...	1.968	0.004	0.4516	0.0073
MP	Li3MnO2F	data_[Li6Mn2O4F2] 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 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 [5.3261] _cell_length_b [5.5174] ...	2.002	0.116	0.4554	0.104
MP	WO2	data_[W34O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [11.1938] _cell_length_b [11.3625] _cell_length_c [12.2058] _cell_angle_alpha [88.7738] _cell_an...	0.923	0.509	0.3005	0.2992
MP	Ca3Si2SnO9	data_[Ca12Si8Sn4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Si 1.9000 1.1000 0.5400 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.4156] _cell_length_b [1...	3.585	0.0	0.591	0.0
MP	BaNa4Cu3F12	data_[Ba16Na64Cu48F192] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Na 0.9300 1.8000 1.1600 Cu 1.9000 1.3500 0.8200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Ia-3] _cell_length_a [16.2559] _cell_length_b ...	0.571	0.016	0.2235	0.0221
MP	Ga2O3	data_[Ga32O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [10.0357] _cell_length_b [10.0446] _cell_length_c [10.0711] _cell_angle_alpha [86.9726] _cell_...	1.83	0.186	0.4357	0.1479
MP	HfMgO3	data_[Hf1Mg1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mg 1.3100 1.5000 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.0725] _cell_length_b [4.0725] _cell_length_c [4.0725] _cel...	1.174	0.59	0.3448	0.3293
MP	Ce6Th4O19	data_[Ce12Th8O38] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Th 1.3000 1.8000 1.0800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [6.8180] _cell_length_b [19.5656] _cell_length_c [6.8147] _cel...	0.103	0.0	0.0659	0.0
MP	B10Pb4O21	data_[B20Pb8O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.6655] _cell_length_b [11.4548] _cell_length_c [13.1405] _...	0.106	0.1	0.0673	0.0929
MP	LiSi2Ir	data_[Li2Si4Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Si 1.9000 1.1000 0.5400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [8.6330] _cell_length_b [9.6569] _cell_length_c [11.9016] _c...	0.223	2.48	0.1171	0.7265
MP	Y2GePd	data_[Y4Ge2Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ge 2.0100 1.2500 0.7700 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.2514] _cell_length_b [14.4618] _cell_length_c [20.3905] _c...	0.001	2.59	0.0017	0.741
MP	Nb2ReMo	data_[Nb4Re2Mo2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Re 1.9000 1.3500 0.7125 Mo 2.1600 1.4500 0.7750 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.2059] _cell_length_b [10.5473] _cell_length_c [14.0167] _...	0.079	4.609	0.0537	0.9416
MP	Cs4Mn3O6	data_[Cs16Mn12O24] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2] _cell_length_a [12.5211] _cell_length_b [8.5691] _cell_length_c [12.5462] _c...	1.266	0.0	0.3595	0.0
MP	Sr3NiPbO6	data_[Sr18Ni6Pb6O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ni 1.9100 1.3500 0.7400 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [9.8095] _cell_length_b [9.8...	0.87	0.007	0.2902	0.0115
MP	K2CaAs2O7	data_[K8Ca4As8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ca 1.0000 1.8000 1.1400 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 [9.3710] _cell_length_b [5.93...	3.513	0.0	0.5861	0.0
MP	MoCl2O3	data_[Mo8Cl16O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [15.6408] _cell_length_b [9.4927] _cell_length_c [7.3945] _c...	0.443	0.602	0.1892	0.3335
MP	Li2Nd(NO3)5	data_[Li8Nd4N20O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nd 1.1400 1.8500 1.2765 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [9.0433] _cell_length_b [10.62...	3.695	0.0	0.5984	0.0
MP	SbH7F12	data_[Sb2H14F24] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [14.7361] _cell_length_b [6.4085] _cell_length_c [5.2045] _cell_...	5.005	0.0	0.6734	0.0
MP	Cs2Te(H3O5)2	data_[Cs8Te4H24O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Te 2.1000 1.4000 1.2933 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 [12.6416] _cell_length_b [7....	1.59	0.227	0.4058	0.1711
MP	Al2CrO5	data_[Al8Cr4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.6076] _cell_length_b [9.4523] _cell_length_c [9.5937] _cel...	0.327	0.038	0.1537	0.0438
MP	Fe3NF9	data_[Fe3N1F9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P6/mmm] _cell_length_a [7.5258] _cell_length_b [7.5258] _cell_length_c [3.9058] _cell...	1.692	0.42	0.4189	0.2633
MP	Rb12Sn8GeO4	data_[Rb48Sn32Ge4O16] 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 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [13.4846] _cell_length_b ...	1.133	0.005	0.3381	0.0088

MP

LiAlO2

data_[Li3Al3O6] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [2.8281] _cell_length_b [2.8281] _cell_length_c [14.3882] _cel...

6.118

0.0

0.724

0.0

MP

Li3Fe(BO3)2

data_[Li6Fe2B4O12] 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 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 [5.2235] _cell_length_b [6.8839]...

2.52

0.278

0.5074

0.1978

MP

Na3Mo2N5

data_[Na24Mo16N40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [I4_1] _cell_length_a [12.1418] _cell_length_b [12.1418] _cell_length_c [8.7001] ...

1.818

0.0

0.4343

0.0

MP

TlCo(NCl)6

data_[Tl4Co4N24Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Co 1.8800 1.3500 0.7683 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [10.6512] _cell_length_b [10.8...

0.438

1.241

0.1878

0.5129

MP

Rb2CdCl4

data_[Rb4Cd2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Cd 1.6900 1.5500 1.0900 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.3136] _cell_length_b [5.3136] _cell_length_c [16.3930] ...

3.168

0.008

0.5612

0.0128

MP

H18PbC6S4N2O9

data_[H36Pb2C12S8N4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_na...

4.974

0.297

0.6718

0.2073

MP

SnPbS3

data_[Sn4Pb4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.0663] _cell_length_b [3.8548] _cell_length_c [14.4328] _ce...

1.093

0.007

0.3313

0.0115

MP

HfI4

data_[Hf8I32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.5787] _cell_length_b [12.4946] _cell_length_c [13.2938] _cell_angle_alpha [90.0000] _cell...

2.349

0.0

0.4913

0.0

MP

HfMg30NiO32

data_[Hf1Mg30Ni1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mg 1.3100 1.5000 0.8600 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5578] _cell_length_b [8...

0.014

0.094

0.0138

0.0886

MP

GaBO3

data_[Ga6B6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [4.6206] _cell_length_b [4.6206] _cell_length_c [14.4218] _cell...

3.864

0.004

0.6093

0.0073

MP

Sm6Th4O17

data_[Sm18Th12O51] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Th 1.3000 1.8000 1.0800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [3.9045] _cell_length_b [3.9045] _cell_length_c [98.7054] _c...

1.923

0.082

0.4465

0.0798

MP

Ca3TaGa3(SiO7)2

data_[Ca3Ta1Ga3Si2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ta 1.5000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length...

3.912

0.0

0.6123

0.0

MP

TlSbWO6

data_[Tl4Sb4W4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Sb 2.0500 1.4500 0.8300 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ima2] _cell_length_a [7.3122] _cell_length_b [10.464...

2.769

0.0

0.5293

0.0

MP

SiO2

data_[Si4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [4.3037] _cell_length_b [4.2518] _cell_length_c [8.2618] _cell_angle_alpha [90.0000] _cell_angle...

3.602

0.366

0.5922

0.2397

MP

NaNbO3

data_[Na24Nb24O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.9696] _cell_length_b [7.9264] _cell_length_c [23.7033] _...

1.805

0.025

0.4327

0.0315

MP

CsUSbO6

data_[Cs4U4Sb4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 U 1.3800 1.7500 0.9913 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.4161] _cell_length_b [7.9597...

1.682

0.0

0.4176

0.0

MP

Li5TiV3O8

data_[Li20Ti4V12O32] 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 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [8.5400] _cell_length_b...

0.693

0.101

0.2527

0.0936

MP

Zn(C4N3)2

data_[Zn2C16N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pmna] _cell_length_a [7.4919] _cell_length_b [5.3926] _cell_length_c [10.6517] _cel...

3.036

0.325

0.5511

0.2208

MP

CdPbS2

data_[Cd3Pb3S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.0786] _cell_length_b [4.0786] _cell_length_c [19.8678] _cel...

0.925

0.079

0.3009

0.0775

MP

Na7La7Th2Ti18O54

data_[Na28La28Th8Ti72O216] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 La 1.1000 1.9500 1.1720 Th 1.3000 1.8000 1.0800 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fmm2] _cell_le...

1.925

0.047

0.4467

0.0518

MP

SnH6CI3N

data_[Sn4H24C4I12N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8...

0.956

0.032

0.3068

0.0383

MP

Th4Ta18O53

data_[Th4Ta18O53] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Th 1.3000 1.8000 1.0800 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3] _cell_length_a [6.4139] _cell_length_b [6.4139] _cell_length_c [28.1124] _cel...

1.612

0.065

0.4086

0.0667

MP

RbMo3Cl7

data_[Rb8Mo24Cl56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Mo 2.1600 1.4500 0.7750 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [19.8572] _cell_length_b [15.1467] _cell_length_c [9.5203]...

2.577

0.0

0.5126

0.0

MP

Ga2PbSe4

data_[Ga64Pb32Se128] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Pb 2.3300 1.8000 1.1225 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [12.9009] _cell_length_b [21.6085] _cell_length_c [21.98...

2.031

0.0

0.4586

0.0

MP

ZnS

data_[Zn22S22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.8532] _cell_length_b [3.8532] _cell_length_c [69.2484] _cell_angle_alpha [90.0000] _cell_...

2.016

0.0

0.4569

0.0

MP

Li5Fe7O3F13

data_[Li10Fe14O6F26] 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 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.7452] _cell_length_b [6.071...

0.68

0.113

0.2497

0.1019

MP

Ge6Bi7O22

data_[Ge6Bi7O22] 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 [P1] _cell_length_a [9.1381] _cell_length_b [9.2457] _cell_length_c [9.2633] _cell_...

0.667

0.124

0.2467

0.1093

MP

Ba3Li2V2Cl4O7

data_[Ba12Li8V8Cl16O28] 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 V 1.6300 1.3500 0.7775 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length...

3.15

0.01

0.5598

0.0152

MP

Sr(AlS2)2

data_[Sr32Al64S128] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Al 1.6100 1.2500 0.6750 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [12.2277] _cell_length_b [20.6360] _cell_length_c [21.2235...

3.64

0.0

0.5947

0.0

MP

Ba3Al2(Sb2O7)3

data_[Ba6Al4Sb12O42] 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 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [14.3651] _cell_length_b [5.22...

1.358

0.223

0.3734

0.1689

MP

Cs3Li2Cl5

data_[Cs6Li4Cl10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Li 0.9800 1.4500 0.9000 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [7.2462] _cell_length_b [24.5773] _cell_length_c [4.2438] _ce...

5.089

0.027

0.6776

0.0335

MP

Li3CuO3

data_[Li12Cu4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [8.7959] _cell_length_b [8.7959] _cell_length_c [3.6296]...

1.178

0.0

0.3455

0.0

MP

NaCr(WO4)2

data_[Na2Cr2W4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cr 1.6600 1.4000 0.9400 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [9.9799] _cell_length_b [5.8062...

2.267

0.007

0.4832

0.0115

MP

Li3Mn3TeO8

data_[Li12Mn12Te4O32] 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 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.8123] _cell_length_b [6...

0.723

0.044

0.2594

0.0492

MP

Sr3CdO4

data_[Sr3Cd1O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cd 1.6900 1.5500 1.0900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [5.1097] _cell_length_b [5.1097] _cell_length_c [5.1097] _cel...

0.541

0.019

0.2159

0.0254

MP

Li5Nb2Co3O10

data_[Li5Nb2Co3O10] 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 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.2099] _cell_length_b [5.306...

0.864

0.093

0.289

0.0879

MP

RbSbS(O2F)2

data_[Rb4Sb4S4O16F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sb 2.0500 1.4500 0.8300 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 [Pna2_1] _cell_length_a...

4.687

0.0

0.657

0.0

MP

KCdCl3

data_[K4Cd4Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cd 1.6900 1.5500 1.0900 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.0136] _cell_length_b [4.0697] _cell_length_c [14.9068] _ce...

3.51

0.0

0.5859

0.0

MP

Na6Sn2O7

data_[Na24Sn8O28] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.4877] _cell_length_b [6.6289] _cell_length_c [11.0500] _...

1.601

0.074

0.4072

0.0737

MP

CaSn2S5

data_[Ca4Sn8S20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [9.5319] _cell_length_b [10.8651] _cell_length_c [7.5043] _ce...

0.817

0.085

0.2795

0.082

MP

Bi4Te7Pb

data_[Bi4Te7Pb1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.4749] _cell_length_b [4.4749] _cell_length_c [24.6641] _...

0.422

0.001

0.1831

0.0024

MP

Ga2(MoO4)3

data_[Ga16Mo24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [16.0758] _cell_length_b [9.3934] _cell_length_c [16.0576...

3.667

0.0

0.5965

0.0

MP

Li2Fe3SnO8

data_[Li4Fe6Sn2O16] 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 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.3492] _cell_length_b [6.0...

0.17

0.024

0.096

0.0305

MP

HfMg30CuO32

data_[Hf1Mg30Cu1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mg 1.3100 1.5000 0.8600 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5838] _cell_length_b [8...

0.012

0.088

0.0122

0.0842

MP

FeO

data_[Fe40O40] 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 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.9449] _cell_length_b [10.4574] _cell_length_c [10.6591] _cell_angle_alpha [81.2191] _cell_a...

0.291

0.278

0.1417

0.1978

MP

Ag2SnSe3

data_[Ag32Sn16Se48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Sn 1.9600 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [7.5175] _cell_length_b [12.9747] _cell_length_c [28.5216] ...

0.059

0.004

0.0429

0.0073

MP

LiFeB2O5

data_[Li8Fe8B16O40] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.2493] _cell_length_b [10.4...

2.804

0.044

0.5323

0.0492

MP

Li3V4O5F7

data_[Li3V4O5F7] 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 [5.7735] _cell_length_b [5.8636] _ce...

1.21

0.098

0.3507

0.0914

MP

Ba3MgTiWO9

data_[Ba6Mg2Ti2W2O18] 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 Ti 1.5400 1.4000 0.8517 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length...

3.083

0.006

0.5547

0.0101

MP

YN

data_[Y4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [5.2960] _cell_length_b [5.2960] _cell_length_c [5.2960] _cell_angle_alpha [90.0000] _cell_angl...

2.069

0.248

0.4627

0.1824

MP

Na3SiTe3

data_[Na12Si4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Si 1.9000 1.1000 0.5400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.8928] _cell_length_b [12.8972] _cell_length_c [9.0184...

1.94

0.0

0.4484

0.0

MP

Li3AlFeO4

data_[Li48Al16Fe16O64] 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 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [10.7023] _cell_length_b...

2.503

0.027

0.5058

0.0335

MP

KB6S4(Cl3O4)2

data_[K4B24S16Cl24O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 B 2.0400 0.8500 0.4100 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...

1.754

0.565

0.4266

0.3203

MP

Fe2P3(O3F)3

data_[Fe12P18O54F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [14.6323] _cell_length_b [14...

2.503

0.0

0.5058

0.0

MP

LiVF6

data_[Li2V2F12] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.0443] _cell_length_b [8.6372] _cell_length_c [5.1667] _cell_...

3.164

0.046

0.5609

0.0509

MP

Ba3Te3(BrO4)2

data_[Ba12Te12Br8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Te 2.1000 1.4000 1.2933 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.8505] _cell_length_b [6...

3.296

0.0

0.5707

0.0

MP

SrMg30CuO32

data_[Sr1Mg30Cu1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Mg 1.3100 1.5000 0.8600 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6278] _cell_length_b [8...

0.572

0.048

0.2238

0.0526

MP

K2RbGdCl6

data_[K8Rb4Gd4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 Gd 1.2000 1.8000 1.0750 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.5307] _cell_length_b [11...

3.231

0.095

0.5659

0.0893

MP

VPO5

data_[V8P8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P4_2/mbc] _cell_length_a [9.3761] _cell_length_b [9.3761] _cell_length_c [8.7459] _cel...

2.012

0.002

0.4565

0.0042

MP

InH8C4NO10

data_[In3H24C12N3O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 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 [P6_222] _cell_length_a...

3.567

0.028

0.5898

0.0345

MP

SnICl

data_[Sn4I4Cl4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 I 2.6600 1.4000 1.2733 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.0147] _cell_length_b [4.4320] _cell_length_c [10.5102] _cel...

2.512

0.0

0.5067

0.0

MP

SrCdB2O5

data_[Sr8Cd8B16O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cd 1.6900 1.5500 1.0900 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.7290] _cell_length_b [10.32...

3.531

0.0

0.5873

0.0

MP

KHO

data_[K2H2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [4.0540] _cell_length_b [3.9839] _cell_length_c [5.7537] _cell_ang...

3.619

0.0

0.5933

0.0

MP

KNb4AsO13

data_[K4Nb16As4O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [10.6736] _cell_length_b [10...

2.415

0.0

0.4976

0.0

MP

NiBiPO5

data_[Ni4Bi4P4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 Bi 2.0200 1.6000 1.0350 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.2486] _cell_length_b [11.3...

3.853

0.0

0.6086

0.0

MP

BPBr6

data_[B4P4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.3428] _cell_length_b [11.9348] _cell_length_c [7.6091] _cel...

2.725

0.0

0.5256

0.0

MP

Ti3(BiO3)4

data_[Ti6Bi8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.8381] _cell_length_b [3.8381] _cell_length_c [33.2418] _...

1.102

0.065

0.3328

0.0667

MP

Tl4PbSe3

data_[Tl16Pb4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Pb 2.3300 1.8000 1.1225 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P4/ncc] _cell_length_a [8.6335] _cell_length_b [8.6335] _cell_length_c [13.2499...

0.281

0.0

0.1382

0.0

MP

La(IO3)4

data_[La4I16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 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 [10.7571] _cell_length_b [7.7450] _cell_length_c [14.5366] _...

0.014

0.049

0.0138

0.0535

MP

K4B10H4O19

data_[K16B40H16O76] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [18.3910] _cell_length_b [6.9566...

5.12

0.0

0.6791

0.0

MP

LiYS2

data_[Li4Y4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Y 1.2200 1.8000 1.0400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [5.4495] _cell_length_b [5.4495] _cell_length_c [11.1365] _c...

2.066

0.006

0.4623

0.0101

MP

In4Bi2S9

data_[In8Bi4S18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [11.3209] _cell_length_b [3.9778] _cell_length_c [16.5342] ...

1.631

0.002

0.4111

0.0042

MP

LiV2(PO4)3

data_[Li4V8P12O48] 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 [Pbcm] _cell_length_a [8.7436] _cell_length_b [8.8673]...

0.66

0.078

0.2451

0.0768

MP

K2Tc9O27F11

data_[K8Tc36O108F44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Tc 1.9000 1.3500 0.7417 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_a [8.5645] _cell_length_b [14....

2.654

0.0

0.5194

0.0

MP

Zn2SiO4

data_[Zn8Si4O16] 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 [P2_1/c] _cell_length_a [5.5508] _cell_length_b [8.0901] _cell_length_c [9.0482] _c...

2.469

0.111

0.5027

0.1005

MP

InTeO3F

data_[In4Te4O12F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Te 2.1000 1.4000 1.2933 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_a [8.3143] _cell_length_b [5.51...

3.178

0.0

0.562

0.0

MP

CsAg(BH)10

data_[Cs4Ag4B40H40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ag 1.9300 1.6000 1.0867 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [10.0573] _cell_length_b [10.9...

3.953

0.086

0.6149

0.0827

MP

Pr2Ti2S2O5

data_[Pr4Ti4S4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ti 1.5400 1.4000 0.8517 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.8889] _cell_length_b [3.88...

0.841

0.0

0.2844

0.0

MP

KCrF3

data_[K4Cr4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cr 1.6600 1.4000 0.9400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [5.9609] _cell_length_b [5.9609] _cell_length_c [8.6944] _cell_...

1.968

0.004

0.4516

0.0073

MP

Li3MnO2F

data_[Li6Mn2O4F2] 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 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 [5.3261] _cell_length_b [5.5174] ...

2.002

0.116

0.4554

0.104

MP

WO2

data_[W34O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [11.1938] _cell_length_b [11.3625] _cell_length_c [12.2058] _cell_angle_alpha [88.7738] _cell_an...

0.923

0.509

0.3005

0.2992

MP

Ca3Si2SnO9

data_[Ca12Si8Sn4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Si 1.9000 1.1000 0.5400 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.4156] _cell_length_b [1...

3.585

0.0

0.591

0.0

MP

BaNa4Cu3F12

data_[Ba16Na64Cu48F192] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Na 0.9300 1.8000 1.1600 Cu 1.9000 1.3500 0.8200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Ia-3] _cell_length_a [16.2559] _cell_length_b ...

0.571

0.016

0.2235

0.0221

MP

Ga2O3

data_[Ga32O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [10.0357] _cell_length_b [10.0446] _cell_length_c [10.0711] _cell_angle_alpha [86.9726] _cell_...

1.83

0.186

0.4357

0.1479

MP

HfMgO3

data_[Hf1Mg1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mg 1.3100 1.5000 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.0725] _cell_length_b [4.0725] _cell_length_c [4.0725] _cel...

1.174

0.59

0.3448

0.3293

MP

Ce6Th4O19

data_[Ce12Th8O38] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Th 1.3000 1.8000 1.0800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [6.8180] _cell_length_b [19.5656] _cell_length_c [6.8147] _cel...

0.103

0.0

0.0659

0.0

MP

B10Pb4O21

data_[B20Pb8O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.6655] _cell_length_b [11.4548] _cell_length_c [13.1405] _...

0.106

0.1

0.0673

0.0929

MP

LiSi2Ir

data_[Li2Si4Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Si 1.9000 1.1000 0.5400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [8.6330] _cell_length_b [9.6569] _cell_length_c [11.9016] _c...

0.223

2.48

0.1171

0.7265

MP

Y2GePd

data_[Y4Ge2Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ge 2.0100 1.2500 0.7700 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.2514] _cell_length_b [14.4618] _cell_length_c [20.3905] _c...

0.001

2.59

0.0017

0.741

MP

Nb2ReMo

data_[Nb4Re2Mo2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Re 1.9000 1.3500 0.7125 Mo 2.1600 1.4500 0.7750 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.2059] _cell_length_b [10.5473] _cell_length_c [14.0167] _...

0.079

4.609

0.0537

0.9416

MP

Cs4Mn3O6

data_[Cs16Mn12O24] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2] _cell_length_a [12.5211] _cell_length_b [8.5691] _cell_length_c [12.5462] _c...

1.266

0.0

0.3595

0.0

MP

Sr3NiPbO6

data_[Sr18Ni6Pb6O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ni 1.9100 1.3500 0.7400 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [9.8095] _cell_length_b [9.8...

0.87

0.007

0.2902

0.0115

MP

K2CaAs2O7

data_[K8Ca4As8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ca 1.0000 1.8000 1.1400 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 [9.3710] _cell_length_b [5.93...

3.513

0.0

0.5861

0.0

MP

MoCl2O3

data_[Mo8Cl16O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [15.6408] _cell_length_b [9.4927] _cell_length_c [7.3945] _c...

0.443

0.602

0.1892

0.3335

MP

Li2Nd(NO3)5

data_[Li8Nd4N20O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nd 1.1400 1.8500 1.2765 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [9.0433] _cell_length_b [10.62...

3.695

0.0

0.5984

0.0

MP

SbH7F12

data_[Sb2H14F24] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [14.7361] _cell_length_b [6.4085] _cell_length_c [5.2045] _cell_...

5.005

0.0

0.6734

0.0

MP

Cs2Te(H3O5)2

data_[Cs8Te4H24O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Te 2.1000 1.4000 1.2933 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 [12.6416] _cell_length_b [7....

1.59

0.227

0.4058

0.1711

MP

Al2CrO5

data_[Al8Cr4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.6076] _cell_length_b [9.4523] _cell_length_c [9.5937] _cel...

0.327

0.038

0.1537

0.0438

MP

Fe3NF9

data_[Fe3N1F9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P6/mmm] _cell_length_a [7.5258] _cell_length_b [7.5258] _cell_length_c [3.9058] _cell...

1.692

0.42

0.4189

0.2633

MP

Rb12Sn8GeO4

data_[Rb48Sn32Ge4O16] 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 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [13.4846] _cell_length_b ...

1.133

0.005

0.3381

0.0088