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	Mg2CdPt	data_[Mg4Cd2Pt2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Cd 1.6900 1.5500 1.0900 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.4593] _cell_length_b [11.8370] _cell_length_c [16.6881] ...	0.074	1.679	0.0511	0.6018
MP	LiCd2Ir	data_[Li2Cd4Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cd 1.6900 1.5500 1.0900 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.8789] _cell_length_b [11.4826] _cell_length_c [16.2308] ...	0.106	1.8	0.0673	0.6233
MP	K3SrPCO7	data_[K6Sr2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sr 0.9500 2.0000 1.3200 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 [...	4.309	0.011	0.6361	0.0164
MP	LiFe2C2O7	data_[Li2Fe4C4O14] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P31c] _cell_length_a [4.8720] _cell_length_b [4.8720...	1.761	0.115	0.4274	0.1033
MP	Hf2N2O	data_[Hf16N16O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.7112] _cell_length_b [8.7197] _cell_length_c [8.7352] _cell_a...	2.061	0.002	0.4618	0.0042
MP	SrGe12Pb2O27	data_[Sr2Ge24Pb4O54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ge 2.0100 1.2500 0.7700 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [20.0005] _cell_length_b [11.5...	3.486	0.045	0.5842	0.0501
MP	Rb4Ge9(H3N)5	data_[Rb16Ge36H60N20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ge 2.0100 1.2500 0.7700 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.1803] _cell_length_b [1...	2.049	0.0	0.4605	0.0
MP	MgZn(FeO2)4	data_[Mg3Zn3Fe12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.9967] _cell_length_b [5.99...	1.732	0.071	0.4239	0.0714
MP	Li3Sb11S18	data_[Li3Sb11S18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.8964] _cell_length_b [7.8627] _cell_length_c [15.4403] _cel...	0.871	0.004	0.2904	0.0073
MP	Ba3(GeN2)2	data_[Ba12Ge8N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [6.1859] _cell_length_b [10.8330] _cell_length_c [10.3235] _...	0.557	0.211	0.22	0.1623
MP	La3CI5	data_[La6C2I10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 C 2.5500 0.7000 0.3000 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.1043] _cell_length_b [9.8420] _cell_length_c [9.9348] _cell_a...	0.192	0.0	0.105	0.0
MP	LiMn(PO3)3	data_[Li6Mn6P18O54] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.8968] _cell_length_b [11.0718...	3.78	0.05	0.6039	0.0544
MP	Li2ZnBr4	data_[Li8Zn4Br16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Zn 1.6500 1.3500 0.8800 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.8150] _cell_length_b [7.9803] _cell_length_c [6.5291] _...	4.108	0.017	0.6243	0.0232
MP	K9Sm3Si12(O16F)2	data_[K9Sm3Si12O32F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sm 1.1700 1.8500 1.2290 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [...	4.898	0.0	0.668	0.0
MP	Li5MnP2(O4F)2	data_[Li15Mn3P6O24F6] 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 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 [P3] _cell_length_a [9...	1.627	0.041	0.4106	0.0465
MP	MgScIr2	data_[Mg2Sc2Ir4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.4553] _cell_length_b [11.1090] _cell_length_c [15.7056] _...	0.139	2.923	0.0826	0.7819
MP	NaFe2H3(SO4)2	data_[Na2Fe4H6S4O16] 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 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 [P-1] _cell_length_a [6...	1.563	0.051	0.4022	0.0552
MP	MgZn2Pd	data_[Mg2Zn4Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.5915] _cell_length_b [11.1877] _cell_length_c [15.7997] ...	0.664	1.513	0.246	0.5704
MP	CeH16N7O19	data_[Ce4H64N28O76] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [11.1678] _cell_length_b [8.8730]...	0.293	0.101	0.1424	0.0936
MP	Li11(MoO2)12	data_[Li11Mo12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.0407] _cell_length_b [8.2917] _cell_length_c [9.3517] _ce...	0.414	0.052	0.1808	0.056
MP	SrMg3O4	data_[Sr1Mg3O4] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [2.7920] _cell_length_b [2.7920] _cell_length_c [11.2583] _c...	2.268	0.807	0.4833	0.4001
MP	Co3Ge(CO)10	data_[Co12Ge4C40O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 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 [8.7962] _cell_length_b [9.282...	1.958	0.452	0.4505	0.2766
MP	MnP4(NO6)2	data_[Mn4P16N8O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 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 [8.2194] _cell_length_b [12.94...	0.256	0.503	0.1293	0.2969
MP	TaP4S6Cl5	data_[Ta2P8S12Cl10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.2533] _cell_length_b [11.557...	2.264	0.007	0.4829	0.0115
MP	Ag3BO3	data_[Ag36B12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 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 [9.9791] _cell_length_b [9.9791] _cell_length_c [14.0132] _ce...	0.872	0.016	0.2906	0.0221
MP	La2(SiO3)3	data_[La4Si6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [6.8425] _cell_length_b [6.8425] _cell_length_c [10.2557] _...	4.33	0.03	0.6373	0.0364
MP	Li4Mn3V3(TeO8)2	data_[Li4Mn3V3Te2O16] 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 V 1.6300 1.3500 0.7775 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...	0.429	0.082	0.1852	0.0798
MP	Li4Mn3F10	data_[Li16Mn12F40] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.2676] _cell_length_b [16.5055] _cell_length_c [5.2150] ...	2.996	0.099	0.5479	0.0922
MP	Ca4SnS6	data_[Ca16Sn4S24] 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 [Cc] _cell_length_a [13.3854] _cell_length_b [7.5206] _cell_length_c [13.5042] _ce...	2.499	0.146	0.5055	0.1236
MP	KHfCuS3	data_[K4Hf4Cu4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Hf 1.3000 1.5500 0.8500 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.7323] _cell_length_b [14.302...	0.757	0.0	0.2668	0.0
MP	P2W2O11	data_[P4W4O22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pnnm] _cell_length_a [7.7938] _cell_length_b [7.9610] _cell_length_c [6.4317] _cell_an...	2.911	0.016	0.5411	0.0221
MP	CsScAgF6	data_[Cs4Sc4Ag4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Sc 1.3600 1.6000 0.8850 Ag 1.9300 1.6000 1.0867 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.7460] _cell_length_b [7.88...	0.007	0.034	0.0079	0.0402
MP	Sr5(AuO4)2	data_[Sr10Au4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Au 2.5400 1.3500 1.0700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [8.4199] _cell_length_b [8.4199] _cell_length_c [6.6117] _...	1.121	0.0	0.336	0.0
MP	Sn3H8C2NO7	data_[Sn6H16C4N2O14] 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 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [8...	0.067	0.362	0.0473	0.2379
MP	Pr2Be2GeO7	data_[Pr4Be4Ge2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Be 1.5700 1.0500 0.5900 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-42_1m] _cell_length_a [7.6736] _cell_length_b [7...	4.274	0.0	0.6341	0.0
MP	Sn(PO3)4	data_[Sn4P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [C2/c] _cell_length_a [15.6706] _cell_length_b [7.1454] _cell_length_c [9.0901] _cel...	3.001	0.048	0.5483	0.0526
MP	K2RbDyV2O8	data_[K2Rb1Dy1V2O8] 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 Dy 1.2200 1.7500 1.1310 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [...	3.409	0.0	0.5788	0.0
MP	Na2Ca3B5H2S2ClO18	data_[Na8Ca12B20H8S8Cl4O72] 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 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 ...	5.681	0.002	0.7053	0.0042
MP	CuP4Se4I	data_[Cu8P32Se32I8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [14.9297] _cell_length_b [12.8...	1.715	0.0	0.4218	0.0
MP	SrS	data_[Sr4S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.0635] _cell_length_b [6.0635] _cell_length_c [6.0635] _cell_angle_alpha [90.0000] _cell_an...	2.497	0.0	0.5053	0.0
MP	NaSi3BO8	data_[Na2Si6B2O16] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.8928] _cell_length_b [7.2791]...	5.355	0.007	0.6904	0.0115
MP	P3N3O14	data_[P6N6O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.8640] _cell_length_b [9.5620] _cell_length_c [9.6326] _cell_ang...	0.499	0.241	0.2048	0.1786
MP	RbH3(SeO3)2	data_[Rb4H12Se8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [6.0617] _cell_length_b ...	4.15	0.0	0.6268	0.0
MP	LaPr3(GaO3)4	data_[La1Pr3Ga4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Pr 1.1300 1.8500 1.0600 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [5.5385] _cell_length_b [7.8595...	3.427	0.034	0.5801	0.0402
MP	MoP2O7	data_[Mo4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 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 [7.2203] _cell_length_b [8.3216] _cell_length_c [9.1842] _cel...	1.212	0.118	0.351	0.1053
MP	HXe2F15	data_[H4Xe8F60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Xe 2.6000 2.16 0.6200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [11.0171] _cell_length_b [15.7750] _cell_length_c [6.5549] _cel...	0.792	0.038	0.2743	0.0438
MP	EuMg3SiN4	data_[Eu16Mg48Si16N64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [11.6155] _cell_length_b...	0.208	0.0	0.1113	0.0
MP	SrCa7Ti2Mn6O21	data_[Sr4Ca28Ti8Mn24O84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length...	0.078	0.095	0.0532	0.0893
MP	UMo5O16	data_[U1Mo5O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2] _cell_length_a [7.3635] _cell_length_b [4.1214] _cell_length_c [10.0640] _cell_a...	0.278	0.027	0.1372	0.0335
MP	SiO2	data_[Si48O96] 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 [Pnma] _cell_length_a [9.7688] _cell_length_b [12.3228] _cell_length_c [23.0005] _cell_angle_alpha [90.0000] _cell...	5.858	0.017	0.713	0.0232
MP	Rb2Ni2(MoO4)3	data_[Rb8Ni8Mo12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ni 1.9100 1.3500 0.7400 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 [7.0988] _cell_length_b [9...	3.341	0.093	0.574	0.0879
MP	Ba(MoN2)2	data_[Ba12Mo24N48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [11.2041] _cell_length_b [11.2041] _cell_length_c [11.2041]...	0.043	0.0	0.0335	0.0
MP	BaZr4(PO4)6	data_[Ba3Zr12P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Zr 1.3300 1.5500 0.8600 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [8.8533] _cell_length_b [8.853...	4.345	0.0	0.6382	0.0
MP	Hf2N2O	data_[Hf32N32O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [6.4223] _cell_length_b [6.4223] _cell_length_c [27.3288]...	1.357	0.087	0.3733	0.0835
MP	Cd(GaSe2)2	data_[Cd2Ga4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Ga 1.8100 1.3000 0.7600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [5.8753] _cell_length_b [5.8753] _cell_length_c [10.9920] _ce...	1.349	0.0	0.3721	0.0
MP	LaZnAgP2	data_[La1Zn1Ag1P2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Zn 1.6500 1.3500 0.8800 Ag 1.9300 1.6000 1.0867 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [4.2292] _cell_length_b [4.229...	0.509	0.008	0.2075	0.0128
MP	K2TbNb5O15	data_[K4Tb2Nb10O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Tb 1.1000 1.7500 0.9815 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [12.7575] _cell_length_b [12...	1.867	0.044	0.4401	0.0492
MP	Li4Cr3NiO8	data_[Li4Cr3Ni1O8] 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 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.0926] _cell_length_b [5.900...	0.448	0.017	0.1906	0.0232
MP	Sm2O3	data_[Sm12O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [14.3949] _cell_length_b [3.6301] _cell_length_c [8.9173] _cell_angle_alpha [90.0000] _cell_...	3.744	0.014	0.6016	0.0199
MP	Rb2ZrO3	data_[Rb8Zr4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Zr 1.3300 1.5500 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.9898] _cell_length_b [11.0466] _cell_length_c [7.4129] _ce...	3.539	0.0	0.5879	0.0
MP	K4Mg(MoO4)3	data_[K8Mg2Mo6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mg 1.3100 1.5000 0.8600 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.9977] _cell_length_b [10.0772...	4.306	0.0	0.6359	0.0
MP	Cs2TiI6	data_[Cs8Ti4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ti 1.5400 1.4000 0.8517 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.8608] _cell_length_b [11.8608] _cell_length_c [11.8608] ...	0.864	0.0	0.289	0.0
MP	NiGe3O8	data_[Ni4Ge12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_332] _cell_length_a [8.1204] _cell_length_b [8.1204] _cell_length_c [8.1204] _...	1.927	0.203	0.447	0.1577
MP	Ca2LaGa(FeO4)2	data_[Ca4La2Ga2Fe4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 La 1.1000 1.9500 1.1720 Ga 1.8100 1.3000 0.7600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a...	1.744	0.038	0.4253	0.0438
MP	Cs2LiLaBr6	data_[Cs8Li4La4Br24] 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 La 1.1000 1.9500 1.1720 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.4521] _cell_length_b [...	3.784	0.014	0.6042	0.0199
MP	VF5	data_[V4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.3614] _cell_length_b [10.5560] _cell_length_c [6.2217] _cell_angle_alpha [90.0000] _cell_a...	3.198	0.084	0.5635	0.0813
MP	BeAlPt2	data_[Be2Al2Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Al 1.6100 1.2500 0.6750 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [8.7809] _cell_length_b [10.3312] _cell_length_c [14.5306] _...	1.47	2.398	0.3895	0.7154
MP	SiO2	data_[Si56O112] 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 [Pmna] _cell_length_a [8.5502] _cell_length_b [12.5676] _cell_length_c [29.3192] _cell_angle_alpha [90.0000] _cel...	5.765	0.017	0.709	0.0232
MP	Cs2BiAuBr6	data_[Cs8Bi4Au4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Bi 2.0200 1.6000 1.0350 Au 2.5400 1.3500 1.0700 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.4547] _cell_length_b [...	0.431	0.069	0.1858	0.0698
MP	FeP2HO7	data_[Fe4P8H4O28] 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 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 [4.9649] _cell_length_b [12.921...	2.678	0.0	0.5215	0.0
MP	Mg149I	data_[Mg149I1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [15.9189] _cell_length_b [15.9189] _cell_length_c [15.6010] _cell_angle_alpha [90.0000] _ce...	0.001	0.019	0.0017	0.0254
MP	Pr2AlNO3	data_[Pr4Al2N2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [3.7554] _cell_length_b [3.7554]...	0.713	0.071	0.2572	0.0714
MP	Y4RuBr5	data_[Y32Ru8Br40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ru 2.2000 1.3000 0.6610 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P4_2/nnm] _cell_length_a [11.9011] _cell_length_b [11.9011] _cell_length_c [17.31...	0.221	0.0	0.1163	0.0
MP	La4Zn3O9	data_[La16Zn12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.5661] _cell_length_b [28.4232] _cell_length_c [5.7903] _...	2.029	0.098	0.4583	0.0914
MP	La2CoIr	data_[La4Co2Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Co 1.8800 1.3500 0.7683 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.4196] _cell_length_b [12.0921] _cell_length_c [17.0442] _...	0.213	1.976	0.1133	0.6527
MP	K2Na2IrO4	data_[K8Na8Ir4O16] 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 Ir 2.2000 1.3500 0.7650 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.0876] _cell_length_b [11.2...	0.312	0.0	0.1488	0.0
MP	FeOF	data_[Fe16O16F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [12.2260] _cell_length_b [6.7457] _cell_length_c [6.7510] _ce...	1.775	0.087	0.4291	0.0835
MP	RbSnF3	data_[Rb16Sn16F48] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.4126] _cell_length_b [13.9241] _cell_length_c [15.3085...	3.69	0.0	0.598	0.0
MP	Cs2Mn2(MoO4)3	data_[Cs8Mn8Mo12O48] 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 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [11.2729] _cell_length_b [1...	3.303	0.0	0.5712	0.0
MP	K2UBr5	data_[K8U4Br20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 U 1.3800 1.7500 0.9913 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.7311] _cell_length_b [9.2553] _cell_length_c [8.5999] _cell...	0.106	0.0	0.0673	0.0
MP	Y2Zr2O7	data_[Y16Zr16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Zr 1.3300 1.5500 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.6082] _cell_length_b [10.6082] _cell_length_c [10.6082] ...	2.822	0.06	0.5338	0.0626
MP	Tm2SeO2	data_[Tm4Se2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.7788] _cell_length_b [3.7788] _cell_length_c [11.9592] _c...	1.678	0.045	0.4171	0.0501
MP	Na3Sb5O14	data_[Na12Sb20O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pba2] _cell_length_a [7.2675] _cell_length_b [24.0334] _cell_length_c [7.5893] _...	1.182	0.066	0.3461	0.0675
MP	SrH2	data_[Sr4H8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.0906] _cell_length_b [7.1715] _cell_length_c [5.7308] _cell_angle_alpha [90.0000] _cell_ang...	1.278	0.044	0.3613	0.0492
MP	BaSrSi4	data_[Ba4Sr4Si16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.9566] _cell_length_b [6.6373] _cell_length_c [11.3530] _...	0.695	0.057	0.2531	0.0602
MP	CaCd3O4	data_[Ca2Cd6O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Cd 1.6900 1.5500 1.0900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [6.7419] _cell_length_b [9.5870] _cell_length_c [3.4119] _cell...	0.189	0.0	0.1038	0.0
MP	PbSO3	data_[Pb2S2O6] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [4.5656] _cell_length_b [5.4075] _cell_length_c [6.5080] _cell...	3.225	0.083	0.5655	0.0805
MP	Tb4Se3N2	data_[Tb8Se6N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Se 2.5500 1.1500 1.0133 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.4013] _cell_length_b [3.9529] _cell_length_c [10.3706] _ce...	1.345	0.0	0.3715	0.0
MP	Sr3LaTi2Mn2O12	data_[Sr6La2Ti4Mn4O24] 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 Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...	1.446	0.063	0.3861	0.0651
MP	Na4CaFe4(PO4)6	data_[Na8Ca2Fe8P12O48] 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 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 [C2] _cell_length_a ...	2.188	0.004	0.4752	0.0073
MP	RbSbO2	data_[Rb4Sb4O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.1193] _cell_length_b [9.3981] _cell_length_c [5.6769] _cell...	2.248	0.0	0.4813	0.0
MP	Li12Mn3CoP4(CO7)4	data_[Li12Mn3Co1P4C4O28] 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 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group...	2.054	0.053	0.4611	0.0569
MP	Y2AlCu	data_[Y4Al2Cu2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Al 1.6100 1.2500 0.6750 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.4364] _cell_length_b [11.4920] _cell_length_c [16.1842] _c...	0.14	2.734	0.0831	0.7592
MP	MnVO3	data_[Mn4V4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.3148] _cell_length_b [7.6020] _cell_length_c [5.1914] _cell_...	0.316	0.042	0.1501	0.0474
MP	Ta3Br7	data_[Ta24Br56] 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 [Cmce] _cell_length_a [14.2158] _cell_length_b [14.9735] _cell_length_c [11.9413] _cell_angle_alpha [90.0000] _c...	0.929	0.0	0.3017	0.0
MP	Rb2HoCl5	data_[Rb8Ho4Cl20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ho 1.2300 1.7500 1.0410 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.5796] _cell_length_b [7.4282] _cell_length_c [14.9278] _...	4.887	0.008	0.6674	0.0128
MP	Cs3SiF7	data_[Cs6Si2F14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Si 1.9000 1.1000 0.5400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [8.4742] _cell_length_b [8.4742] _cell_length_c [6.2405] _c...	5.634	0.0	0.7032	0.0
MP	Na4GeSe4	data_[Na32Ge8Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ge 2.0100 1.2500 0.7700 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [28.9171] _cell_length_b [9.5494] _cell_length_c [7.2291] ...	1.791	0.0	0.4311	0.0
MP	BaV2ZnO7	data_[Ba4V8Zn4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 V 1.6300 1.3500 0.7775 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [15.4286] _cell_length_b [5.563...	2.946	0.042	0.5439	0.0474
MP	Cs2V2H2O7	data_[Cs8V8H8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 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 [Pbcm] _cell_length_a [5.9254] _cell_length_b [18.5836]...	3.086	0.001	0.5549	0.0024

MP

Mg2CdPt

data_[Mg4Cd2Pt2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Cd 1.6900 1.5500 1.0900 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.4593] _cell_length_b [11.8370] _cell_length_c [16.6881] ...

0.074

1.679

0.0511

0.6018

MP

LiCd2Ir

data_[Li2Cd4Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cd 1.6900 1.5500 1.0900 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.8789] _cell_length_b [11.4826] _cell_length_c [16.2308] ...

0.106

1.8

0.0673

0.6233

MP

K3SrPCO7

data_[K6Sr2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sr 0.9500 2.0000 1.3200 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 [...

4.309

0.011

0.6361

0.0164

MP

LiFe2C2O7

data_[Li2Fe4C4O14] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P31c] _cell_length_a [4.8720] _cell_length_b [4.8720...

1.761

0.115

0.4274

0.1033

MP

Hf2N2O

data_[Hf16N16O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.7112] _cell_length_b [8.7197] _cell_length_c [8.7352] _cell_a...

2.061

0.002

0.4618

0.0042

MP

SrGe12Pb2O27

data_[Sr2Ge24Pb4O54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ge 2.0100 1.2500 0.7700 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [20.0005] _cell_length_b [11.5...

3.486

0.045

0.5842

0.0501

MP

Rb4Ge9(H3N)5

data_[Rb16Ge36H60N20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ge 2.0100 1.2500 0.7700 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.1803] _cell_length_b [1...

2.049

0.0

0.4605

0.0

MP

MgZn(FeO2)4

data_[Mg3Zn3Fe12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.9967] _cell_length_b [5.99...

1.732

0.071

0.4239

0.0714

MP

Li3Sb11S18

data_[Li3Sb11S18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.8964] _cell_length_b [7.8627] _cell_length_c [15.4403] _cel...

0.871

0.004

0.2904

0.0073

MP

Ba3(GeN2)2

data_[Ba12Ge8N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [6.1859] _cell_length_b [10.8330] _cell_length_c [10.3235] _...

0.557

0.211

0.22

0.1623

MP

La3CI5

data_[La6C2I10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 C 2.5500 0.7000 0.3000 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.1043] _cell_length_b [9.8420] _cell_length_c [9.9348] _cell_a...

0.192

0.0

0.105

0.0

MP

LiMn(PO3)3

data_[Li6Mn6P18O54] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.8968] _cell_length_b [11.0718...

3.78

0.05

0.6039

0.0544

MP

Li2ZnBr4

data_[Li8Zn4Br16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Zn 1.6500 1.3500 0.8800 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.8150] _cell_length_b [7.9803] _cell_length_c [6.5291] _...

4.108

0.017

0.6243

0.0232

MP

K9Sm3Si12(O16F)2

data_[K9Sm3Si12O32F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sm 1.1700 1.8500 1.2290 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [...

4.898

0.0

0.668

0.0

MP

Li5MnP2(O4F)2

data_[Li15Mn3P6O24F6] 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 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 [P3] _cell_length_a [9...

1.627

0.041

0.4106

0.0465

MP

MgScIr2

data_[Mg2Sc2Ir4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.4553] _cell_length_b [11.1090] _cell_length_c [15.7056] _...

0.139

2.923

0.0826

0.7819

MP

NaFe2H3(SO4)2

data_[Na2Fe4H6S4O16] 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 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 [P-1] _cell_length_a [6...

1.563

0.051

0.4022

0.0552

MP

MgZn2Pd

data_[Mg2Zn4Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.5915] _cell_length_b [11.1877] _cell_length_c [15.7997] ...

0.664

1.513

0.246

0.5704

MP

CeH16N7O19

data_[Ce4H64N28O76] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [11.1678] _cell_length_b [8.8730]...

0.293

0.101

0.1424

0.0936

MP

Li11(MoO2)12

data_[Li11Mo12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.0407] _cell_length_b [8.2917] _cell_length_c [9.3517] _ce...

0.414

0.052

0.1808

0.056

MP

SrMg3O4

data_[Sr1Mg3O4] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [2.7920] _cell_length_b [2.7920] _cell_length_c [11.2583] _c...

2.268

0.807

0.4833

0.4001

MP

Co3Ge(CO)10

data_[Co12Ge4C40O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 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 [8.7962] _cell_length_b [9.282...

1.958

0.452

0.4505

0.2766

MP

MnP4(NO6)2

data_[Mn4P16N8O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 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 [8.2194] _cell_length_b [12.94...

0.256

0.503

0.1293

0.2969

MP

TaP4S6Cl5

data_[Ta2P8S12Cl10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.2533] _cell_length_b [11.557...

2.264

0.007

0.4829

0.0115

MP

Ag3BO3

data_[Ag36B12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 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 [9.9791] _cell_length_b [9.9791] _cell_length_c [14.0132] _ce...

0.872

0.016

0.2906

0.0221

MP

La2(SiO3)3

data_[La4Si6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [6.8425] _cell_length_b [6.8425] _cell_length_c [10.2557] _...

4.33

0.03

0.6373

0.0364

MP

Li4Mn3V3(TeO8)2

data_[Li4Mn3V3Te2O16] 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 V 1.6300 1.3500 0.7775 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...

0.429

0.082

0.1852

0.0798

MP

Li4Mn3F10

data_[Li16Mn12F40] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.2676] _cell_length_b [16.5055] _cell_length_c [5.2150] ...

2.996

0.099

0.5479

0.0922

MP

Ca4SnS6

data_[Ca16Sn4S24] 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 [Cc] _cell_length_a [13.3854] _cell_length_b [7.5206] _cell_length_c [13.5042] _ce...

2.499

0.146

0.5055

0.1236

MP

KHfCuS3

data_[K4Hf4Cu4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Hf 1.3000 1.5500 0.8500 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.7323] _cell_length_b [14.302...

0.757

0.0

0.2668

0.0

MP

P2W2O11

data_[P4W4O22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pnnm] _cell_length_a [7.7938] _cell_length_b [7.9610] _cell_length_c [6.4317] _cell_an...

2.911

0.016

0.5411

0.0221

MP

CsScAgF6

data_[Cs4Sc4Ag4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Sc 1.3600 1.6000 0.8850 Ag 1.9300 1.6000 1.0867 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.7460] _cell_length_b [7.88...

0.007

0.034

0.0079

0.0402

MP

Sr5(AuO4)2

data_[Sr10Au4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Au 2.5400 1.3500 1.0700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [8.4199] _cell_length_b [8.4199] _cell_length_c [6.6117] _...

1.121

0.0

0.336

0.0

MP

Sn3H8C2NO7

data_[Sn6H16C4N2O14] 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 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [8...

0.067

0.362

0.0473

0.2379

MP

Pr2Be2GeO7

data_[Pr4Be4Ge2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Be 1.5700 1.0500 0.5900 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-42_1m] _cell_length_a [7.6736] _cell_length_b [7...

4.274

0.0

0.6341

0.0

MP

Sn(PO3)4

data_[Sn4P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [C2/c] _cell_length_a [15.6706] _cell_length_b [7.1454] _cell_length_c [9.0901] _cel...

3.001

0.048

0.5483

0.0526

MP

K2RbDyV2O8

data_[K2Rb1Dy1V2O8] 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 Dy 1.2200 1.7500 1.1310 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [...

3.409

0.0

0.5788

0.0

MP

Na2Ca3B5H2S2ClO18

data_[Na8Ca12B20H8S8Cl4O72] 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 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 ...

5.681

0.002

0.7053

0.0042

MP

CuP4Se4I

data_[Cu8P32Se32I8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [14.9297] _cell_length_b [12.8...

1.715

0.0

0.4218

0.0

MP

SrS

data_[Sr4S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.0635] _cell_length_b [6.0635] _cell_length_c [6.0635] _cell_angle_alpha [90.0000] _cell_an...

2.497

0.0

0.5053

0.0

MP

NaSi3BO8

data_[Na2Si6B2O16] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.8928] _cell_length_b [7.2791]...

5.355

0.007

0.6904

0.0115

MP

P3N3O14

data_[P6N6O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.8640] _cell_length_b [9.5620] _cell_length_c [9.6326] _cell_ang...

0.499

0.241

0.2048

0.1786

MP

RbH3(SeO3)2

data_[Rb4H12Se8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [6.0617] _cell_length_b ...

4.15

0.0

0.6268

0.0

MP

LaPr3(GaO3)4

data_[La1Pr3Ga4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Pr 1.1300 1.8500 1.0600 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [5.5385] _cell_length_b [7.8595...

3.427

0.034

0.5801

0.0402

MP

MoP2O7

data_[Mo4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 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 [7.2203] _cell_length_b [8.3216] _cell_length_c [9.1842] _cel...

1.212

0.118

0.351

0.1053

MP

HXe2F15

data_[H4Xe8F60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Xe 2.6000 2.16 0.6200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [11.0171] _cell_length_b [15.7750] _cell_length_c [6.5549] _cel...

0.792

0.038

0.2743

0.0438

MP

EuMg3SiN4

data_[Eu16Mg48Si16N64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [11.6155] _cell_length_b...

0.208

0.0

0.1113

0.0

MP

SrCa7Ti2Mn6O21

data_[Sr4Ca28Ti8Mn24O84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length...

0.078

0.095

0.0532

0.0893

MP

UMo5O16

data_[U1Mo5O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2] _cell_length_a [7.3635] _cell_length_b [4.1214] _cell_length_c [10.0640] _cell_a...

0.278

0.027

0.1372

0.0335

MP

SiO2

data_[Si48O96] 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 [Pnma] _cell_length_a [9.7688] _cell_length_b [12.3228] _cell_length_c [23.0005] _cell_angle_alpha [90.0000] _cell...

5.858

0.017

0.713

0.0232

MP

Rb2Ni2(MoO4)3

data_[Rb8Ni8Mo12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ni 1.9100 1.3500 0.7400 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 [7.0988] _cell_length_b [9...

3.341

0.093

0.574

0.0879

MP

Ba(MoN2)2

data_[Ba12Mo24N48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [11.2041] _cell_length_b [11.2041] _cell_length_c [11.2041]...

0.043

0.0

0.0335

0.0

MP

BaZr4(PO4)6

data_[Ba3Zr12P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Zr 1.3300 1.5500 0.8600 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [8.8533] _cell_length_b [8.853...

4.345

0.0

0.6382

0.0

MP

Hf2N2O

data_[Hf32N32O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [6.4223] _cell_length_b [6.4223] _cell_length_c [27.3288]...

1.357

0.087

0.3733

0.0835

MP

Cd(GaSe2)2

data_[Cd2Ga4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Ga 1.8100 1.3000 0.7600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [5.8753] _cell_length_b [5.8753] _cell_length_c [10.9920] _ce...

1.349

0.0

0.3721

0.0

MP

LaZnAgP2

data_[La1Zn1Ag1P2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Zn 1.6500 1.3500 0.8800 Ag 1.9300 1.6000 1.0867 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [4.2292] _cell_length_b [4.229...

0.509

0.008

0.2075

0.0128

MP

K2TbNb5O15

data_[K4Tb2Nb10O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Tb 1.1000 1.7500 0.9815 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [12.7575] _cell_length_b [12...

1.867

0.044

0.4401

0.0492

MP

Li4Cr3NiO8

data_[Li4Cr3Ni1O8] 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 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.0926] _cell_length_b [5.900...

0.448

0.017

0.1906

0.0232

MP

Sm2O3

data_[Sm12O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [14.3949] _cell_length_b [3.6301] _cell_length_c [8.9173] _cell_angle_alpha [90.0000] _cell_...

3.744

0.014

0.6016

0.0199

MP

Rb2ZrO3

data_[Rb8Zr4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Zr 1.3300 1.5500 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.9898] _cell_length_b [11.0466] _cell_length_c [7.4129] _ce...

3.539

0.0

0.5879

0.0

MP

K4Mg(MoO4)3

data_[K8Mg2Mo6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mg 1.3100 1.5000 0.8600 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.9977] _cell_length_b [10.0772...

4.306

0.0

0.6359

0.0

MP

Cs2TiI6

data_[Cs8Ti4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ti 1.5400 1.4000 0.8517 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.8608] _cell_length_b [11.8608] _cell_length_c [11.8608] ...

0.864

0.0

0.289

0.0

MP

NiGe3O8

data_[Ni4Ge12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_332] _cell_length_a [8.1204] _cell_length_b [8.1204] _cell_length_c [8.1204] _...

1.927

0.203

0.447

0.1577

MP

Ca2LaGa(FeO4)2

data_[Ca4La2Ga2Fe4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 La 1.1000 1.9500 1.1720 Ga 1.8100 1.3000 0.7600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a...

1.744

0.038

0.4253

0.0438

MP

Cs2LiLaBr6

data_[Cs8Li4La4Br24] 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 La 1.1000 1.9500 1.1720 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.4521] _cell_length_b [...

3.784

0.014

0.6042

0.0199

MP

VF5

data_[V4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.3614] _cell_length_b [10.5560] _cell_length_c [6.2217] _cell_angle_alpha [90.0000] _cell_a...

3.198

0.084

0.5635

0.0813

MP

BeAlPt2

data_[Be2Al2Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Al 1.6100 1.2500 0.6750 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [8.7809] _cell_length_b [10.3312] _cell_length_c [14.5306] _...

1.47

2.398

0.3895

0.7154

MP

SiO2

data_[Si56O112] 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 [Pmna] _cell_length_a [8.5502] _cell_length_b [12.5676] _cell_length_c [29.3192] _cell_angle_alpha [90.0000] _cel...

5.765

0.017

0.709

0.0232

MP

Cs2BiAuBr6

data_[Cs8Bi4Au4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Bi 2.0200 1.6000 1.0350 Au 2.5400 1.3500 1.0700 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.4547] _cell_length_b [...

0.431

0.069

0.1858

0.0698

MP

FeP2HO7

data_[Fe4P8H4O28] 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 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 [4.9649] _cell_length_b [12.921...

2.678

0.0

0.5215

0.0

MP

Mg149I

data_[Mg149I1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [15.9189] _cell_length_b [15.9189] _cell_length_c [15.6010] _cell_angle_alpha [90.0000] _ce...

0.001

0.019

0.0017

0.0254

MP

Pr2AlNO3

data_[Pr4Al2N2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Al 1.6100 1.2500 0.6750 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [3.7554] _cell_length_b [3.7554]...

0.713

0.071

0.2572

0.0714

MP

Y4RuBr5

data_[Y32Ru8Br40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ru 2.2000 1.3000 0.6610 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P4_2/nnm] _cell_length_a [11.9011] _cell_length_b [11.9011] _cell_length_c [17.31...

0.221

0.0

0.1163

0.0

MP

La4Zn3O9

data_[La16Zn12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.5661] _cell_length_b [28.4232] _cell_length_c [5.7903] _...

2.029

0.098

0.4583

0.0914

MP

La2CoIr

data_[La4Co2Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Co 1.8800 1.3500 0.7683 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.4196] _cell_length_b [12.0921] _cell_length_c [17.0442] _...

0.213

1.976

0.1133

0.6527

MP

K2Na2IrO4

data_[K8Na8Ir4O16] 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 Ir 2.2000 1.3500 0.7650 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.0876] _cell_length_b [11.2...

0.312

0.0

0.1488

0.0

MP

FeOF

data_[Fe16O16F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [12.2260] _cell_length_b [6.7457] _cell_length_c [6.7510] _ce...

1.775

0.087

0.4291

0.0835

MP

RbSnF3

data_[Rb16Sn16F48] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.4126] _cell_length_b [13.9241] _cell_length_c [15.3085...

3.69

0.0

0.598

0.0

MP

Cs2Mn2(MoO4)3

data_[Cs8Mn8Mo12O48] 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 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [11.2729] _cell_length_b [1...

3.303

0.0

0.5712

0.0

MP

K2UBr5

data_[K8U4Br20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 U 1.3800 1.7500 0.9913 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.7311] _cell_length_b [9.2553] _cell_length_c [8.5999] _cell...

0.106

0.0

0.0673

0.0

MP

Y2Zr2O7

data_[Y16Zr16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Zr 1.3300 1.5500 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.6082] _cell_length_b [10.6082] _cell_length_c [10.6082] ...

2.822

0.06

0.5338

0.0626

MP

Tm2SeO2

data_[Tm4Se2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.7788] _cell_length_b [3.7788] _cell_length_c [11.9592] _c...

1.678

0.045

0.4171

0.0501

MP

Na3Sb5O14

data_[Na12Sb20O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pba2] _cell_length_a [7.2675] _cell_length_b [24.0334] _cell_length_c [7.5893] _...

1.182

0.066

0.3461

0.0675

MP

SrH2

data_[Sr4H8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.0906] _cell_length_b [7.1715] _cell_length_c [5.7308] _cell_angle_alpha [90.0000] _cell_ang...

1.278

0.044

0.3613

0.0492

MP

BaSrSi4

data_[Ba4Sr4Si16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.9566] _cell_length_b [6.6373] _cell_length_c [11.3530] _...

0.695

0.057

0.2531

0.0602

MP

CaCd3O4

data_[Ca2Cd6O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Cd 1.6900 1.5500 1.0900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [6.7419] _cell_length_b [9.5870] _cell_length_c [3.4119] _cell...

0.189

0.0

0.1038

0.0

MP

PbSO3

data_[Pb2S2O6] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [4.5656] _cell_length_b [5.4075] _cell_length_c [6.5080] _cell...

3.225

0.083

0.5655

0.0805

MP

Tb4Se3N2

data_[Tb8Se6N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Se 2.5500 1.1500 1.0133 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.4013] _cell_length_b [3.9529] _cell_length_c [10.3706] _ce...

1.345

0.0

0.3715

0.0

MP

Sr3LaTi2Mn2O12

data_[Sr6La2Ti4Mn4O24] 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 Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...

1.446

0.063

0.3861

0.0651

MP

Na4CaFe4(PO4)6

data_[Na8Ca2Fe8P12O48] 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 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 [C2] _cell_length_a ...

2.188

0.004

0.4752

0.0073

MP

RbSbO2

data_[Rb4Sb4O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.1193] _cell_length_b [9.3981] _cell_length_c [5.6769] _cell...

2.248

0.0

0.4813

0.0

MP

Li12Mn3CoP4(CO7)4

data_[Li12Mn3Co1P4C4O28] 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 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group...

2.054

0.053

0.4611

0.0569

MP

Y2AlCu

data_[Y4Al2Cu2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Al 1.6100 1.2500 0.6750 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.4364] _cell_length_b [11.4920] _cell_length_c [16.1842] _c...

0.14

2.734

0.0831

0.7592

MP

MnVO3

data_[Mn4V4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.3148] _cell_length_b [7.6020] _cell_length_c [5.1914] _cell_...

0.316

0.042

0.1501

0.0474

MP

Ta3Br7

data_[Ta24Br56] 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 [Cmce] _cell_length_a [14.2158] _cell_length_b [14.9735] _cell_length_c [11.9413] _cell_angle_alpha [90.0000] _c...

0.929

0.0

0.3017

0.0

MP

Rb2HoCl5

data_[Rb8Ho4Cl20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ho 1.2300 1.7500 1.0410 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.5796] _cell_length_b [7.4282] _cell_length_c [14.9278] _...

4.887

0.008

0.6674

0.0128

MP

Cs3SiF7

data_[Cs6Si2F14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Si 1.9000 1.1000 0.5400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [8.4742] _cell_length_b [8.4742] _cell_length_c [6.2405] _c...

5.634

0.0

0.7032

0.0

MP

Na4GeSe4

data_[Na32Ge8Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ge 2.0100 1.2500 0.7700 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [28.9171] _cell_length_b [9.5494] _cell_length_c [7.2291] ...

1.791

0.0

0.4311

0.0

MP

BaV2ZnO7

data_[Ba4V8Zn4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 V 1.6300 1.3500 0.7775 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [15.4286] _cell_length_b [5.563...

2.946

0.042

0.5439

0.0474

MP

Cs2V2H2O7

data_[Cs8V8H8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 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 [Pbcm] _cell_length_a [5.9254] _cell_length_b [18.5836]...

3.086

0.001

0.5549

0.0024