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	Sr2LiSc(B2O5)2	data_[Sr8Li4Sc4B16O40] 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 Sc 1.3600 1.6000 0.8850 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_lengt...	4.665	0.002	0.6558	0.0042
MP	Sm3NbO7	data_[Sm6Nb2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.5178] _cell_length_b [6.6308] _cell_length_c [7.7534] _cell...	2.843	0.001	0.5355	0.0024
MP	MgTlAs(H6O5)2	data_[Mg2Tl2As2H24O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Tl 1.6200 1.9000 1.3325 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_lengt...	4.537	0.0	0.6489	0.0
MP	Na2FeO3	data_[Na8Fe4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [11.3468] _cell_length_b [6.1503] _cell_length_c [5.1003] _...	0.049	0.073	0.0371	0.0729
MP	KBaSiHO4	data_[K2Ba2Si2H2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ba 0.8900 2.1500 1.4900 Si 1.9000 1.1000 0.5400 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 [5...	4.113	0.011	0.6246	0.0164
MP	ErTl(PSe3)2	data_[Er2Tl2P4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Tl 1.6200 1.9000 1.3325 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [6.8249] _cell_length_b [7.59...	1.484	0.0	0.3914	0.0
MP	Na2GdMnAs2O9	data_[Na8Gd4Mn4As8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Gd 1.2000 1.8000 1.0750 Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_leng...	1.257	0.001	0.3581	0.0024
MP	Nd3SiAgSe7	data_[Nd6Si2Ag2Se14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Si 1.9000 1.1000 0.5400 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.7664] _cell_length_b [1...	1.446	0.0	0.3861	0.0
MP	Mn2CoO4	data_[Mn8Co4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [5.8008] _cell_length_b [5.8008] _cell_length_c [9.4008] ...	0.699	0.0	0.2541	0.0
MP	LiSn3(P3O10)2	data_[Li4Sn12P24O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C222_1] _cell_length_a [10.6095] _cell_length_b [1...	0.208	0.081	0.1113	0.079
MP	K2Cr2Cu(PO7)2	data_[K4Cr4Cu2P4O28] 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 Cu 1.9000 1.3500 0.8200 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...	0.047	0.081	0.0359	0.079
MP	Th3Se3O16	data_[Th12Se12O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Th 1.3000 1.8000 1.0800 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [11.4678] _cell_length_b [11.4678] _cell_length_c [10.7071]...	0.011	0.039	0.0114	0.0447
MP	BaNiF6	data_[Ba3Ni3F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.4531] _cell_length_b [7.4531] _cell_length_c [7.0657] _cel...	0.473	0.0	0.1977	0.0
MP	LiMn2(BO3)2	data_[Li12Mn24B24O72] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [15.6751] _cell_length_b [9.18...	0.556	0.073	0.2197	0.0729
MP	LaCrO4	data_[La4Cr4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.7499] _cell_length_b [7.2903] _cell_length_c [8.4113] _c...	1.085	0.003	0.3299	0.0058
MP	Na3SnPCO7	data_[Na6Sn2P2C2O14] 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 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...	3.247	0.038	0.5671	0.0438
MP	MnSi2O5	data_[Mn4Si8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [6.4902] _cell_length_b [8.2262] _cell_length_c [6.6777] _cel...	2.238	0.106	0.4803	0.0971
MP	Cs6Na2Nb6H36O37	data_[Cs18Na6Nb18H108O111] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_leng...	3.605	0.0	0.5924	0.0
MP	Y2(WO4)3	data_[Y8W12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [14.4703] _cell_length_b [10.3087] _cell_length_c [10.4000] _cel...	4.82	0.027	0.664	0.0335
MP	Na13Ca7S12(ClO16)3	data_[Na13Ca7S12Cl3O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 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 [P1] _cell_length_a...	5.04	0.015	0.6751	0.021
MP	TlSbAs2PbS6	data_[Tl4Sb4As8Pb4S24] 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 As 2.1800 1.1500 0.6600 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_leng...	1.45	0.0	0.3867	0.0
MP	LiFePO4	data_[Li18Fe18P18O72] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [13.9551] _cell_length_b [13.9...	3.479	0.011	0.5837	0.0164
MP	Li4Mn3Nb2Fe3O16	data_[Li8Mn6Nb4Fe6O32] 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 Nb 1.6000 1.4500 0.8200 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...	0.784	0.024	0.2726	0.0305
MP	HoGaO3	data_[Ho4Ga4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.5931] _cell_length_b [7.6341] _cell_length_c [5.2838] _cel...	3.607	0.05	0.5925	0.0544
MP	In3GaN4	data_[In6Ga2N8] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [6.9715] _cell_length_b [6.9715] _cell_length_c [5.6681] _ce...	0.076	0.022	0.0522	0.0285
MP	KNaZr2Be(PO4)4	data_[K1Na1Zr2Be1P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 Zr 1.3300 1.5500 0.8600 Be 1.5700 1.0500 0.5900 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_...	2.659	0.917	0.5199	0.4318
MP	Ba12MnRu5(ClO6)4	data_[Ba12Mn1Ru5Cl4O24] 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 Ru 2.2000 1.3000 0.6610 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_leng...	0.004	0.001	0.0051	0.0024
MP	NaAlCr2(HO4)2	data_[Na4Al4Cr8H8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 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...	2.219	0.697	0.4784	0.3658
MP	LiP2WO7	data_[Li2P4W2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [6.7511] _cell_length_b [8.5978] _c...	3.966	0.041	0.6157	0.0465
MP	TePb	data_[Te4Pb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.5657] _cell_length_b [6.5657] _cell_length_c [6.5657] _cell_angle_alpha [90.0000] _cell_...	0.806	0.0	0.2772	0.0
MP	Cr(PO3)2	data_[Cr8P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [8.0471] _cell_length_b [8.0308] _cell_length_c [16.5111] _cell_...	2.417	0.071	0.4978	0.0714
MP	V8O15	data_[V16O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.5424] _cell_length_b [7.0899] _cell_length_c [13.4971] _cell_angle_alpha [101.5533] _cell_an...	0.667	0.042	0.2467	0.0474
MP	Li2Bi(PO3)5	data_[Li8Bi4P20O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 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 [Cc] _cell_length_a [7.7426] _cell_length_b [11.9533...	4.368	0.077	0.6395	0.076
MP	CrPO4	data_[Cr6P6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P31c] _cell_length_a [7.3702] _cell_length_b [7.3702] _cell_length_c [9.4977] _cell_...	0.744	0.223	0.264	0.1689
MP	Li4Fe7O12	data_[Li8Fe14O24] 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 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.1854] _cell_length_b [9.0164] _cell_length_c [9.8394] _ce...	1.269	0.055	0.36	0.0585
MP	Ce3Sb4Pt3	data_[Ce12Sb16Pt12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Sb 2.0500 1.4500 0.8300 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [I-43d] _cell_length_a [9.8757] _cell_length_b [9.8757] _cell_length_c [9.8757]...	0.272	0.0	0.1351	0.0
MP	Li2CoGe3O8	data_[Li8Co4Ge12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [8.3004] _cell_length_b [8....	2.765	0.013	0.529	0.0188
MP	MgSnAs2	data_[Mg4Sn4As8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sn 1.9600 1.4500 0.8300 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [6.1613] _cell_length_b [6.1613] _cell_length_c [12.0520] _...	0.403	0.0	0.1775	0.0
MP	KAgO2	data_[K4Ag4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.3889] _cell_length_b [12.2097] _cell_length_c [6.0197] _cell_...	0.966	0.0	0.3086	0.0
MP	PbS	data_[Pb4S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Aem2] _cell_length_a [11.3702] _cell_length_b [6.0112] _cell_length_c [6.0230] _cell_angle_alpha [90.0000] _cell_an...	1.696	0.058	0.4194	0.061
MP	Cd2P6O17	data_[Cd4P12O34] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 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 [5.6118] _cell_length_b [18.3882] _cell_length_c [7.7147] _c...	4.414	0.0	0.6421	0.0
MP	K(IO3)2	data_[K8I16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [8.5740] _cell_length_b [7.4847] _cell_length_c [20.0019] _cel...	0.262	0.092	0.1315	0.0871
MP	AuBr3	data_[Au8Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Au 2.5400 1.3500 1.0700 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.0496] _cell_length_b [20.8127] _cell_length_c [9.1377] _cell_angle_alpha [90.0000] _ce...	0.889	0.0	0.2939	0.0
MP	Ti3CrNi2(PO4)6	data_[Ti9Cr3Ni6P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a ...	0.05	0.024	0.0377	0.0305
MP	Ba2H2C4O9	data_[Ba4H4C8O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 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 [6.4732] _cell_length_b [8.6941] _...	3.318	0.057	0.5723	0.0602
MP	LiCuF2	data_[Li4Cu4F8] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.2758] _cell_length_b [5.2450] _cell_length_c [5.7114] _ce...	1.739	0.062	0.4247	0.0643
MP	Na2Ti4O9	data_[Na12Ti24O54] 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 [P1] _cell_length_a [8.8706] _cell_length_b [10.7262] _cell_length_c [12.4730] _c...	2.471	0.022	0.5029	0.0285
MP	TlSbS2	data_[Tl4Sb4S8] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.3205] _cell_length_b [6.6046] _cell_length_c [11.9652] _cell...	1.659	0.0	0.4147	0.0
MP	Li5La3Ta2O12	data_[Li40La24Ta16O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 La 1.1000 1.9500 1.1720 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [13.1075] _cell_length_b ...	4.007	0.295	0.6182	0.2063
MP	Zn2PHO5	data_[Zn4P2H2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 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 [P-1] _cell_length_a [5.6113] _cell_length_b [5.7576] _...	3.239	0.002	0.5665	0.0042
MP	Nb2Tl4Se11	data_[Nb4Tl8Se22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.1833] _cell_length_b [9.3555] _cell_length_c [14.0641] _c...	0.932	0.0	0.3022	0.0
MP	Na8Nb5O14	data_[Na16Nb10O28] 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 [P-1] _cell_length_a [8.6660] _cell_length_b [8.7547] _cell_length_c [10.8256] _c...	0.258	0.095	0.1301	0.0893
MP	YV5(H12O13)2	data_[Y4V20H96O104] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.5094] _cell_length_b [9.9398] ...	2.416	0.022	0.4977	0.0285
MP	Ba3Ta4TiO15	data_[Ba6Ta8Ti2O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [12.7289] _cell_length_b [1...	2.093	0.003	0.4652	0.0058
MP	NbO2F	data_[Nb4O8F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.6250] _cell_length_b [5.5055] _cell_length_c [7.6763] _cell_a...	1.651	0.124	0.4137	0.1093
MP	Dy2CO5	data_[Dy8C4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [15.2317] _cell_length_b [6.6736] _cell_length_c [3.8977] _cell...	4.437	0.002	0.6434	0.0042
MP	KNi(BrO2)3	data_[K4Ni4Br12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ni 1.9100 1.3500 0.7400 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.6774] _cell_length_b [7.05...	0.173	0.236	0.0972	0.176
MP	La4Bi2S9	data_[La16Bi8S36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [28.5895] _cell_length_b [4.0459] _cell_length_c [12.9934] _...	1.143	0.011	0.3397	0.0164
MP	NaHfPCO7	data_[Na2Hf2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Hf 1.3000 1.5500 0.8500 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] _cell_length_a [...	4.59	0.05	0.6518	0.0544
MP	ZrH24C8(NF3)2	data_[Zr3H72C24N6F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [R-3] _cell_length_a [8...	6.552	0.091	0.7414	0.0864
MP	Ca3Nb4(O6F)2	data_[Ca9Nb12O36F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.5386] _cell_length_b [7.538...	2.689	0.037	0.5225	0.0429
MP	BiS4N3Cl4	data_[Bi2S8N6Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.6241] _cell_length_b [9.6388] ...	2.032	0.112	0.4587	0.1012
MP	LiCS(OF)3	data_[Li4C4S4O12F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 C 2.5500 0.7000 0.3000 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 [P2_1/c] _cell_length_a ...	6.608	0.164	0.7436	0.1348
MP	Cs2KAsCl6	data_[Cs8K4As4Cl24] 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 As 2.1800 1.1500 0.6600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.0920] _cell_length_b [11...	3.46	0.022	0.5824	0.0285
MP	Ba16S16O59	data_[Ba16S16O59] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.9616] _cell_length_b [11.1384] _cell_length_c [14.5417] _cel...	5.019	0.026	0.6741	0.0325
MP	RbVOF3	data_[Rb4V4O4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 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 [Pbam] _cell_length_a [8.7878] _cell_length_b [11.8260]...	2.7	0.0	0.5234	0.0
MP	NdH12S2NO12	data_[Nd4H48S8N4O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a ...	5.129	0.009	0.6795	0.014
MP	TaBr5	data_[Ta12Br60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [21.2460] _cell_length_b [19.5619] _cell_length_c [6.7920] _cell_angle_alpha [90.0000] _ce...	2.035	0.0	0.459	0.0
MP	Li4CrP6(H4O11)2	data_[Li4Cr1P6H8O22] 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 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 [P-1] _cell_length_a [7...	2.829	0.062	0.5344	0.0643
MP	Ca5ThF14	data_[Ca5Th1F14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Th 1.3000 1.8000 1.0800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.8951] _cell_length_b [3.9748] _cell_length_c [19.7807] _cell...	4.837	0.133	0.6648	0.1153
MP	AlPO4	data_[Al24P24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnn2] _cell_length_a [14.0867] _cell_length_b [24.2780] _cell_length_c [8.6153] _c...	5.728	0.017	0.7073	0.0232
MP	Tb6O11	data_[Tb24O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.7115] _cell_length_b [12.0174] _cell_length_c [12.7762] _cell_angle_alpha [74.2382] _cell_...	0.005	0.093	0.0061	0.0879
MP	ReNF6	data_[Re4N4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.4576] _cell_length_b [9.5939] _cell_length_c [10.2849] _ce...	2.33	0.226	0.4894	0.1705
MP	MoSe2Cl4O	data_[Mo16Se32Cl64O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 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 [P2_1/c] _cell_length_a [16.2109] _cell_length_b...	1.018	0.064	0.3181	0.0659
MP	V3Pb5O12F	data_[V6Pb10O24F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 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 [10.3799] _cell_length_b [10.3...	2.792	0.012	0.5313	0.0176
MP	Ho4Al2O9	data_[Ho16Al8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.4320] _cell_length_b [10.5509] _cell_length_c [11.1604]...	3.966	0.019	0.6157	0.0254
MP	Li5Mn3O5F3	data_[Li5Mn3O5F3] 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 [P1] _cell_length_a [5.8010] _cell_length_b [5.9333] _...	0.691	0.095	0.2522	0.0893
MP	CsGaO2	data_[Cs16Ga16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [5.8720] _cell_length_b [11.7714] _cell_length_c [16.8602] ...	2.983	0.0	0.5469	0.0
MP	Sc2GaPd	data_[Sc4Ga2Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ga 1.8100 1.3000 0.7600 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.0758] _cell_length_b [11.4314] _cell_length_c [15.4412] ...	0.214	2.565	0.1137	0.7378
MP	Li6B4O9	data_[Li24B16O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 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 [3.3938] _cell_length_b [23.6505] _cell_length_c [9.7332] _...	4.896	0.007	0.6679	0.0115
MP	Cr4Cu3(PO4)6	data_[Cr4Cu3P6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Cu 1.9000 1.3500 0.8200 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 [6.3101] _cell_length_b [7.9500]...	0.297	0.016	0.1437	0.0221
MP	TiSnO4	data_[Ti6Sn6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [9.1899] _cell_length_b [6.6945] _cell_length_c [7.4459] _cell_...	1.925	0.048	0.4467	0.0526
MP	Sr2TmNbO6	data_[Sr4Tm2Nb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Tm 1.2500 1.7500 1.0950 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnn2] _cell_length_a [5.9395] _cell_length_b [8.35...	2.857	0.035	0.5367	0.0411
MP	CsAsO3	data_[Cs4As4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [5.9370] _cell_length_b [12.5946] _cell_length_c [5.4608] _ce...	2.87	0.0	0.5378	0.0
MP	AgW3Br7	data_[Ag4W12Br28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 W 2.3600 1.3500 0.7667 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.9873] _cell_length_b [16.0826] _cell_length_c [10.2413]...	2.689	0.0	0.5225	0.0
MP	Na3Y(CO3)3	data_[Na12Y4C12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Y 1.2200 1.8000 1.0400 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [9.9805] _cell_length_b [11.032...	5.019	0.0	0.6741	0.0
MP	Na2SrLa2Ti5O15	data_[Na8Sr4La8Ti20O60] 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 La 1.1000 1.9500 1.1720 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_...	2.016	0.017	0.4569	0.0232
MP	Li2CoH12(SO7)2	data_[Li4Co2H24S4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...	3.329	0.068	0.5731	0.069
MP	Ga4SiO8	data_[Ga8Si2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [C2/m] _cell_length_a [12.4495] _cell_length_b [2.9825] _cell_length_c [9.4082] _ce...	2.426	0.069	0.4986	0.0698
MP	K5Na3TaNb7O24	data_[K10Na6Ta2Nb14O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...	1.474	0.024	0.39	0.0305
MP	SrLa3Mn3CrO12	data_[Sr3La9Mn9Cr3O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 La 1.1000 1.9500 1.1720 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 [R3] _cell_length_a...	0.342	0.141	0.1586	0.1204
MP	Zn2GaP3H8(NO6)2	data_[Zn8Ga4P12H32N8O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ga 1.8100 1.3000 0.7600 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_...	3.995	0.0	0.6174	0.0
MP	LiVF3	data_[Li8V8F24] 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 [Pccn] _cell_length_a [5.0054] _cell_length_b [8.8287] _cell_length_c [10.6757] _cell...	2.093	0.021	0.4652	0.0275
MP	Tb(AlCl4)3	data_[Tb3Al9Cl36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Al 1.6100 1.2500 0.6750 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P3_112] _cell_length_a [10.8403] _cell_length_b [10.8403] _cell_length_c [16.043...	3.917	0.002	0.6126	0.0042
MP	LiFeP4O13	data_[Li4Fe4P16O52] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.8797] _cell_length_b [10.2711...	0.006	0.111	0.007	0.1005
MP	K2RbScCl6	data_[K8Rb4Sc4Cl24] 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 Sc 1.3600 1.6000 0.8850 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.1623] _cell_length_b [11...	4.07	0.071	0.622	0.0714
MP	LiVP2(HO4)2	data_[Li12V12P24H24O96] 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 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...	2.19	0.057	0.4754	0.0602
MP	K3Ba3Li2Al4B6O20F	data_[K6Ba6Li4Al8B12O40F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ba 0.8900 2.1500 1.4900 Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 ...	4.102	0.0	0.6239	0.0
MP	Rb5Nd2N11O34	data_[Rb20Nd8N44O136] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Nd 1.1400 1.8500 1.2765 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.0256] _cell_length_b [14...	0.195	0.04	0.1062	0.0456
MP	Li7Mn2(CoO4)3	data_[Li14Mn4Co6O24] 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 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.7956] _cell_length_b [8.8...	1.307	0.061	0.3658	0.0635

MP

Sr2LiSc(B2O5)2

data_[Sr8Li4Sc4B16O40] 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 Sc 1.3600 1.6000 0.8850 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_lengt...

4.665

0.002

0.6558

0.0042

MP

Sm3NbO7

data_[Sm6Nb2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.5178] _cell_length_b [6.6308] _cell_length_c [7.7534] _cell...

2.843

0.001

0.5355

0.0024

MP

MgTlAs(H6O5)2

data_[Mg2Tl2As2H24O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Tl 1.6200 1.9000 1.3325 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_lengt...

4.537

0.0

0.6489

0.0

MP

Na2FeO3

data_[Na8Fe4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [11.3468] _cell_length_b [6.1503] _cell_length_c [5.1003] _...

0.049

0.073

0.0371

0.0729

MP

KBaSiHO4

data_[K2Ba2Si2H2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ba 0.8900 2.1500 1.4900 Si 1.9000 1.1000 0.5400 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 [5...

4.113

0.011

0.6246

0.0164

MP

ErTl(PSe3)2

data_[Er2Tl2P4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Tl 1.6200 1.9000 1.3325 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [6.8249] _cell_length_b [7.59...

1.484

0.0

0.3914

0.0

MP

Na2GdMnAs2O9

data_[Na8Gd4Mn4As8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Gd 1.2000 1.8000 1.0750 Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_leng...

1.257

0.001

0.3581

0.0024

MP

Nd3SiAgSe7

data_[Nd6Si2Ag2Se14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Si 1.9000 1.1000 0.5400 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.7664] _cell_length_b [1...

1.446

0.0

0.3861

0.0

MP

Mn2CoO4

data_[Mn8Co4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [5.8008] _cell_length_b [5.8008] _cell_length_c [9.4008] ...

0.699

0.0

0.2541

0.0

MP

LiSn3(P3O10)2

data_[Li4Sn12P24O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C222_1] _cell_length_a [10.6095] _cell_length_b [1...

0.208

0.081

0.1113

0.079

MP

K2Cr2Cu(PO7)2

data_[K4Cr4Cu2P4O28] 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 Cu 1.9000 1.3500 0.8200 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...

0.047

0.081

0.0359

0.079

MP

Th3Se3O16

data_[Th12Se12O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Th 1.3000 1.8000 1.0800 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [11.4678] _cell_length_b [11.4678] _cell_length_c [10.7071]...

0.011

0.039

0.0114

0.0447

MP

BaNiF6

data_[Ba3Ni3F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.4531] _cell_length_b [7.4531] _cell_length_c [7.0657] _cel...

0.473

0.0

0.1977

0.0

MP

LiMn2(BO3)2

data_[Li12Mn24B24O72] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [15.6751] _cell_length_b [9.18...

0.556

0.073

0.2197

0.0729

MP

LaCrO4

data_[La4Cr4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.7499] _cell_length_b [7.2903] _cell_length_c [8.4113] _c...

1.085

0.003

0.3299

0.0058

MP

Na3SnPCO7

data_[Na6Sn2P2C2O14] 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 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...

3.247

0.038

0.5671

0.0438

MP

MnSi2O5

data_[Mn4Si8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [6.4902] _cell_length_b [8.2262] _cell_length_c [6.6777] _cel...

2.238

0.106

0.4803

0.0971

MP

Cs6Na2Nb6H36O37

data_[Cs18Na6Nb18H108O111] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_leng...

3.605

0.0

0.5924

0.0

MP

Y2(WO4)3

data_[Y8W12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [14.4703] _cell_length_b [10.3087] _cell_length_c [10.4000] _cel...

4.82

0.027

0.664

0.0335

MP

Na13Ca7S12(ClO16)3

data_[Na13Ca7S12Cl3O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 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 [P1] _cell_length_a...

5.04

0.015

0.6751

0.021

MP

TlSbAs2PbS6

data_[Tl4Sb4As8Pb4S24] 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 As 2.1800 1.1500 0.6600 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_leng...

1.45

0.0

0.3867

0.0

MP

LiFePO4

data_[Li18Fe18P18O72] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [13.9551] _cell_length_b [13.9...

3.479

0.011

0.5837

0.0164

MP

Li4Mn3Nb2Fe3O16

data_[Li8Mn6Nb4Fe6O32] 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 Nb 1.6000 1.4500 0.8200 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...

0.784

0.024

0.2726

0.0305

MP

HoGaO3

data_[Ho4Ga4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.5931] _cell_length_b [7.6341] _cell_length_c [5.2838] _cel...

3.607

0.05

0.5925

0.0544

MP

In3GaN4

data_[In6Ga2N8] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [6.9715] _cell_length_b [6.9715] _cell_length_c [5.6681] _ce...

0.076

0.022

0.0522

0.0285

MP

KNaZr2Be(PO4)4

data_[K1Na1Zr2Be1P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 Zr 1.3300 1.5500 0.8600 Be 1.5700 1.0500 0.5900 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_...

2.659

0.917

0.5199

0.4318

MP

Ba12MnRu5(ClO6)4

data_[Ba12Mn1Ru5Cl4O24] 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 Ru 2.2000 1.3000 0.6610 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_leng...

0.004

0.001

0.0051

0.0024

MP

NaAlCr2(HO4)2

data_[Na4Al4Cr8H8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 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...

2.219

0.697

0.4784

0.3658

MP

LiP2WO7

data_[Li2P4W2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [6.7511] _cell_length_b [8.5978] _c...

3.966

0.041

0.6157

0.0465

MP

TePb

data_[Te4Pb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.5657] _cell_length_b [6.5657] _cell_length_c [6.5657] _cell_angle_alpha [90.0000] _cell_...

0.806

0.0

0.2772

0.0

MP

Cr(PO3)2

data_[Cr8P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [8.0471] _cell_length_b [8.0308] _cell_length_c [16.5111] _cell_...

2.417

0.071

0.4978

0.0714

MP

V8O15

data_[V16O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.5424] _cell_length_b [7.0899] _cell_length_c [13.4971] _cell_angle_alpha [101.5533] _cell_an...

0.667

0.042

0.2467

0.0474

MP

Li2Bi(PO3)5

data_[Li8Bi4P20O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 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 [Cc] _cell_length_a [7.7426] _cell_length_b [11.9533...

4.368

0.077

0.6395

0.076

MP

CrPO4

data_[Cr6P6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P31c] _cell_length_a [7.3702] _cell_length_b [7.3702] _cell_length_c [9.4977] _cell_...

0.744

0.223

0.264

0.1689

MP

Li4Fe7O12

data_[Li8Fe14O24] 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 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.1854] _cell_length_b [9.0164] _cell_length_c [9.8394] _ce...

1.269

0.055

0.36

0.0585

MP

Ce3Sb4Pt3

data_[Ce12Sb16Pt12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Sb 2.0500 1.4500 0.8300 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [I-43d] _cell_length_a [9.8757] _cell_length_b [9.8757] _cell_length_c [9.8757]...

0.272

0.0

0.1351

0.0

MP

Li2CoGe3O8

data_[Li8Co4Ge12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [8.3004] _cell_length_b [8....

2.765

0.013

0.529

0.0188

MP

MgSnAs2

data_[Mg4Sn4As8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sn 1.9600 1.4500 0.8300 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [6.1613] _cell_length_b [6.1613] _cell_length_c [12.0520] _...

0.403

0.0

0.1775

0.0

MP

KAgO2

data_[K4Ag4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.3889] _cell_length_b [12.2097] _cell_length_c [6.0197] _cell_...

0.966

0.0

0.3086

0.0

MP

PbS

data_[Pb4S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Aem2] _cell_length_a [11.3702] _cell_length_b [6.0112] _cell_length_c [6.0230] _cell_angle_alpha [90.0000] _cell_an...

1.696

0.058

0.4194

0.061

MP

Cd2P6O17

data_[Cd4P12O34] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 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 [5.6118] _cell_length_b [18.3882] _cell_length_c [7.7147] _c...

4.414

0.0

0.6421

0.0

MP

K(IO3)2

data_[K8I16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [8.5740] _cell_length_b [7.4847] _cell_length_c [20.0019] _cel...

0.262

0.092

0.1315

0.0871

MP

AuBr3

data_[Au8Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Au 2.5400 1.3500 1.0700 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.0496] _cell_length_b [20.8127] _cell_length_c [9.1377] _cell_angle_alpha [90.0000] _ce...

0.889

0.0

0.2939

0.0

MP

Ti3CrNi2(PO4)6

data_[Ti9Cr3Ni6P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a ...

0.05

0.024

0.0377

0.0305

MP

Ba2H2C4O9

data_[Ba4H4C8O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 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 [6.4732] _cell_length_b [8.6941] _...

3.318

0.057

0.5723

0.0602

MP

LiCuF2

data_[Li4Cu4F8] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.2758] _cell_length_b [5.2450] _cell_length_c [5.7114] _ce...

1.739

0.062

0.4247

0.0643

MP

Na2Ti4O9

data_[Na12Ti24O54] 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 [P1] _cell_length_a [8.8706] _cell_length_b [10.7262] _cell_length_c [12.4730] _c...

2.471

0.022

0.5029

0.0285

MP

TlSbS2

data_[Tl4Sb4S8] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.3205] _cell_length_b [6.6046] _cell_length_c [11.9652] _cell...

1.659

0.0

0.4147

0.0

MP

Li5La3Ta2O12

data_[Li40La24Ta16O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 La 1.1000 1.9500 1.1720 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [13.1075] _cell_length_b ...

4.007

0.295

0.6182

0.2063

MP

Zn2PHO5

data_[Zn4P2H2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 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 [P-1] _cell_length_a [5.6113] _cell_length_b [5.7576] _...

3.239

0.002

0.5665

0.0042

MP

Nb2Tl4Se11

data_[Nb4Tl8Se22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.1833] _cell_length_b [9.3555] _cell_length_c [14.0641] _c...

0.932

0.0

0.3022

0.0

MP

Na8Nb5O14

data_[Na16Nb10O28] 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 [P-1] _cell_length_a [8.6660] _cell_length_b [8.7547] _cell_length_c [10.8256] _c...

0.258

0.095

0.1301

0.0893

MP

YV5(H12O13)2

data_[Y4V20H96O104] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.5094] _cell_length_b [9.9398] ...

2.416

0.022

0.4977

0.0285

MP

Ba3Ta4TiO15

data_[Ba6Ta8Ti2O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [12.7289] _cell_length_b [1...

2.093

0.003

0.4652

0.0058

MP

NbO2F

data_[Nb4O8F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.6250] _cell_length_b [5.5055] _cell_length_c [7.6763] _cell_a...

1.651

0.124

0.4137

0.1093

MP

Dy2CO5

data_[Dy8C4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [15.2317] _cell_length_b [6.6736] _cell_length_c [3.8977] _cell...

4.437

0.002

0.6434

0.0042

MP

KNi(BrO2)3

data_[K4Ni4Br12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ni 1.9100 1.3500 0.7400 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.6774] _cell_length_b [7.05...

0.173

0.236

0.0972

0.176

MP

La4Bi2S9

data_[La16Bi8S36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [28.5895] _cell_length_b [4.0459] _cell_length_c [12.9934] _...

1.143

0.011

0.3397

0.0164

MP

NaHfPCO7

data_[Na2Hf2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Hf 1.3000 1.5500 0.8500 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] _cell_length_a [...

4.59

0.05

0.6518

0.0544

MP

ZrH24C8(NF3)2

data_[Zr3H72C24N6F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [R-3] _cell_length_a [8...

6.552

0.091

0.7414

0.0864

MP

Ca3Nb4(O6F)2

data_[Ca9Nb12O36F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.5386] _cell_length_b [7.538...

2.689

0.037

0.5225

0.0429

MP

BiS4N3Cl4

data_[Bi2S8N6Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.6241] _cell_length_b [9.6388] ...

2.032

0.112

0.4587

0.1012

MP

LiCS(OF)3

data_[Li4C4S4O12F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 C 2.5500 0.7000 0.3000 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 [P2_1/c] _cell_length_a ...

6.608

0.164

0.7436

0.1348

MP

Cs2KAsCl6

data_[Cs8K4As4Cl24] 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 As 2.1800 1.1500 0.6600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.0920] _cell_length_b [11...

3.46

0.022

0.5824

0.0285

MP

Ba16S16O59

data_[Ba16S16O59] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.9616] _cell_length_b [11.1384] _cell_length_c [14.5417] _cel...

5.019

0.026

0.6741

0.0325

MP

RbVOF3

data_[Rb4V4O4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 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 [Pbam] _cell_length_a [8.7878] _cell_length_b [11.8260]...

2.7

0.0

0.5234

0.0

MP

NdH12S2NO12

data_[Nd4H48S8N4O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a ...

5.129

0.009

0.6795

0.014

MP

TaBr5

data_[Ta12Br60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [21.2460] _cell_length_b [19.5619] _cell_length_c [6.7920] _cell_angle_alpha [90.0000] _ce...

2.035

0.0

0.459

0.0

MP

Li4CrP6(H4O11)2

data_[Li4Cr1P6H8O22] 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 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 [P-1] _cell_length_a [7...

2.829

0.062

0.5344

0.0643

MP

Ca5ThF14

data_[Ca5Th1F14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Th 1.3000 1.8000 1.0800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.8951] _cell_length_b [3.9748] _cell_length_c [19.7807] _cell...

4.837

0.133

0.6648

0.1153

MP

AlPO4

data_[Al24P24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnn2] _cell_length_a [14.0867] _cell_length_b [24.2780] _cell_length_c [8.6153] _c...

5.728

0.017

0.7073

0.0232

MP

Tb6O11

data_[Tb24O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.7115] _cell_length_b [12.0174] _cell_length_c [12.7762] _cell_angle_alpha [74.2382] _cell_...

0.005

0.093

0.0061

0.0879

MP

ReNF6

data_[Re4N4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.4576] _cell_length_b [9.5939] _cell_length_c [10.2849] _ce...

2.33

0.226

0.4894

0.1705

MP

MoSe2Cl4O

data_[Mo16Se32Cl64O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 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 [P2_1/c] _cell_length_a [16.2109] _cell_length_b...

1.018

0.064

0.3181

0.0659

MP

V3Pb5O12F

data_[V6Pb10O24F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 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 [10.3799] _cell_length_b [10.3...

2.792

0.012

0.5313

0.0176

MP

Ho4Al2O9

data_[Ho16Al8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.4320] _cell_length_b [10.5509] _cell_length_c [11.1604]...

3.966

0.019

0.6157

0.0254

MP

Li5Mn3O5F3

data_[Li5Mn3O5F3] 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 [P1] _cell_length_a [5.8010] _cell_length_b [5.9333] _...

0.691

0.095

0.2522

0.0893

MP

CsGaO2

data_[Cs16Ga16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [5.8720] _cell_length_b [11.7714] _cell_length_c [16.8602] ...

2.983

0.0

0.5469

0.0

MP

Sc2GaPd

data_[Sc4Ga2Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ga 1.8100 1.3000 0.7600 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.0758] _cell_length_b [11.4314] _cell_length_c [15.4412] ...

0.214

2.565

0.1137

0.7378

MP

Li6B4O9

data_[Li24B16O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 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 [3.3938] _cell_length_b [23.6505] _cell_length_c [9.7332] _...

4.896

0.007

0.6679

0.0115

MP

Cr4Cu3(PO4)6

data_[Cr4Cu3P6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Cu 1.9000 1.3500 0.8200 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 [6.3101] _cell_length_b [7.9500]...

0.297

0.016

0.1437

0.0221

MP

TiSnO4

data_[Ti6Sn6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [9.1899] _cell_length_b [6.6945] _cell_length_c [7.4459] _cell_...

1.925

0.048

0.4467

0.0526

MP

Sr2TmNbO6

data_[Sr4Tm2Nb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Tm 1.2500 1.7500 1.0950 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnn2] _cell_length_a [5.9395] _cell_length_b [8.35...

2.857

0.035

0.5367

0.0411

MP

CsAsO3

data_[Cs4As4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [5.9370] _cell_length_b [12.5946] _cell_length_c [5.4608] _ce...

2.87

0.0

0.5378

0.0

MP

AgW3Br7

data_[Ag4W12Br28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 W 2.3600 1.3500 0.7667 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.9873] _cell_length_b [16.0826] _cell_length_c [10.2413]...

2.689

0.0

0.5225

0.0

MP

Na3Y(CO3)3

data_[Na12Y4C12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Y 1.2200 1.8000 1.0400 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [9.9805] _cell_length_b [11.032...

5.019

0.0

0.6741

0.0

MP

Na2SrLa2Ti5O15

data_[Na8Sr4La8Ti20O60] 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 La 1.1000 1.9500 1.1720 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_...

2.016

0.017

0.4569

0.0232

MP

Li2CoH12(SO7)2

data_[Li4Co2H24S4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...

3.329

0.068

0.5731

0.069

MP

Ga4SiO8

data_[Ga8Si2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [C2/m] _cell_length_a [12.4495] _cell_length_b [2.9825] _cell_length_c [9.4082] _ce...

2.426

0.069

0.4986

0.0698

MP

K5Na3TaNb7O24

data_[K10Na6Ta2Nb14O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...

1.474

0.024

0.39

0.0305

MP

SrLa3Mn3CrO12

data_[Sr3La9Mn9Cr3O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 La 1.1000 1.9500 1.1720 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 [R3] _cell_length_a...

0.342

0.141

0.1586

0.1204

MP

Zn2GaP3H8(NO6)2

data_[Zn8Ga4P12H32N8O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ga 1.8100 1.3000 0.7600 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_...

3.995

0.0

0.6174

0.0

MP

LiVF3

data_[Li8V8F24] 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 [Pccn] _cell_length_a [5.0054] _cell_length_b [8.8287] _cell_length_c [10.6757] _cell...

2.093

0.021

0.4652

0.0275

MP

Tb(AlCl4)3

data_[Tb3Al9Cl36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Al 1.6100 1.2500 0.6750 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P3_112] _cell_length_a [10.8403] _cell_length_b [10.8403] _cell_length_c [16.043...

3.917

0.002

0.6126

0.0042

MP

LiFeP4O13

data_[Li4Fe4P16O52] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.8797] _cell_length_b [10.2711...

0.006

0.111

0.007

0.1005

MP

K2RbScCl6

data_[K8Rb4Sc4Cl24] 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 Sc 1.3600 1.6000 0.8850 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.1623] _cell_length_b [11...

4.07

0.071

0.622

0.0714

MP

LiVP2(HO4)2

data_[Li12V12P24H24O96] 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 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...

2.19

0.057

0.4754

0.0602

MP

K3Ba3Li2Al4B6O20F

data_[K6Ba6Li4Al8B12O40F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ba 0.8900 2.1500 1.4900 Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 ...

4.102

0.0

0.6239

0.0

MP

Rb5Nd2N11O34

data_[Rb20Nd8N44O136] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Nd 1.1400 1.8500 1.2765 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.0256] _cell_length_b [14...

0.195

0.04

0.1062

0.0456

MP

Li7Mn2(CoO4)3

data_[Li14Mn4Co6O24] 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 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.7956] _cell_length_b [8.8...

1.307

0.061

0.3658

0.0635