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	LiFeH12(SO7)2	data_[Li2Fe2H24S4O28] 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 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] _cell_length_a ...	2.353	0.034	0.4917	0.0402
MP	Li15Cr2N9	data_[Li60Cr8N36] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [9.3790] _cell_length_b [10.2275] _cell_length_c [10.2186]...	1.336	0.0	0.3701	0.0
MP	Ba4Nb2WO12	data_[Ba12Nb6W3O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Nb 1.6000 1.4500 0.8200 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.8723] _cell_length_b [5.8723...	2.736	0.0	0.5265	0.0
MP	Sr2HfTiO6	data_[Sr4Hf2Ti2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.8817] _cell_length_b [5.71...	2.481	0.019	0.5038	0.0254
MP	LiMg30SbO32	data_[Li1Mg30Sb1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mg 1.3100 1.5000 0.8600 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5750] _cell_length_b [8...	2.883	0.04	0.5388	0.0456
MP	ErFeC6(N3O2)2	data_[Er2Fe2C12N12O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Fe 1.8300 1.4000 0.8525 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/m] _cell_length_...	1.74	1.17	0.4248	0.4965
MP	LiCoOF2	data_[Li4Co4O4F8] 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 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [8.6060] _cell_length_b [5.2885] _...	0.221	0.117	0.1163	0.1046
MP	N2	data_[N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pmna] _cell_length_a [9.7096] _cell_length_b [4.2398] _cell_length_c [9.4602] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_g...	0.272	2.177	0.1351	0.6838
MP	LiVF3	data_[Li4V4F12] 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 [Pnma] _cell_length_a [5.4558] _cell_length_b [7.8343] _cell_length_c [5.3667] _cell_...	2.624	0.036	0.5168	0.042
MP	Sm2Mn3(SbS3)4	data_[Sm4Mn6Sb8S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Mn 1.5500 1.4000 0.6483 Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [19.9689] _cell_length_b [3.8...	0.14	0.029	0.0831	0.0354
MP	K2Ge2Pb2O7	data_[K2Ge2Pb2O7] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ge 2.0100 1.2500 0.7700 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [5.8856] _cell_length_b [5.8856] ...	3.165	0.0	0.561	0.0
MP	KTa(AgSe2)2	data_[K4Ta4Ag8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ta 1.5000 1.4500 0.8200 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [8.3758] _cell_length_b [19.9...	1.748	0.0	0.4258	0.0
MP	K2InH2Cl5O	data_[K8In4H8Cl20O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 In 1.7800 1.5500 0.9400 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [...	3.661	0.0	0.5961	0.0
MP	CrAgO4	data_[Cr4Ag4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.8121] _cell_length_b [8.8090] _cell_length_c [8.6102] _c...	1.437	0.404	0.3848	0.2565
MP	RbFeBP2HO9	data_[Rb4Fe4B4P8H4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Fe 1.8300 1.4000 0.8525 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_na...	2.744	0.0	0.5272	0.0
MP	Na3MoO4	data_[Na6Mo2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [7.4659] _cell_length_b [6.2168] _cell_length_c [5.6642] _ce...	1.371	0.016	0.3753	0.0221
MP	H4NClO	data_[H16N4Cl4O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 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 [6.9992] _cell_length_b [6.0840...	5.481	0.206	0.6962	0.1594
MP	Li2Th(AsO4)2	data_[Li8Th4As8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Th 1.3000 1.8000 1.0800 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.2336] _cell_length_b [14...	3.949	0.0	0.6146	0.0
MP	Li2TlIn	data_[Li4Tl2In2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tl 1.6200 1.9000 1.3325 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.6273] _cell_length_b [11.8747] _cell_length_c [16.6282] ...	0.067	1.264	0.0473	0.5181
MP	As3Pb5ClO9	data_[As6Pb10Cl2O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.7928] _cell_length_b [10...	2.02	0.087	0.4573	0.0835
MP	KCaBr3	data_[K4Ca4Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ca 1.0000 1.8000 1.1400 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.3094] _cell_length_b [14.4246] _cell_length_c [10.8570] _c...	4.405	0.0	0.6416	0.0
MP	ReH3O5	data_[Re2H6O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.4588] _cell_length_b [5.7782] _cell_length_c [7.5868] _cell_an...	3.755	0.028	0.6023	0.0345
MP	Li4ZrF8	data_[Li16Zr4F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Zr 1.3300 1.5500 0.8600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.7384] _cell_length_b [9.7469] _cell_length_c [5.7579] _ce...	5.968	0.0	0.7177	0.0
MP	Ba4LiCu(CO5)2	data_[Ba8Li2Cu2C4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Li 0.9800 1.4500 0.9000 Cu 1.9000 1.3500 0.8200 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_...	0.542	0.0	0.2161	0.0
MP	AlAgSnSe4	data_[Al2Ag2Sn2Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Ag 1.9300 1.6000 1.0867 Sn 1.9600 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [6.0562] _cell_length_b [6.05...	1.107	0.0	0.3337	0.0
MP	SbP(Cl2F3)2	data_[Sb2P2Cl8F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 P 2.1900 1.0000 0.5500 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/n] _cell_length_a [8.7161] _cell_length_b [8.7161...	4.487	0.096	0.6461	0.09
MP	Tl2Te3O7	data_[Tl4Te6O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9675] _cell_length_b [7.6299] _cell_length_c [10.3533] _cel...	2.81	0.002	0.5328	0.0042
MP	SmTiNbBi2O9	data_[Sm2Ti2Nb2Bi4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length...	2.722	0.01	0.5253	0.0152
MP	LiNiPO4	data_[Li4Ni4P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 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 [Pbcn] _cell_length_a [4.2878] _cell_length_b [14.291...	3.423	0.067	0.5798	0.0682
MP	Li5Mn5(CoO6)2	data_[Li10Mn10Co4O24] 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] _cell_length_a [5.2292] _cell_length_b [8.89...	0.522	0.044	0.2109	0.0492
MP	NbP(Cl3O)2	data_[Nb16P16Cl96O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 P 2.1900 1.0000 0.5500 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 [17.5961] _cell_length_b [...	2.673	0.026	0.5211	0.0325
MP	La4PClO8	data_[La32P8Cl8O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 P 2.1900 1.0000 0.5500 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 [11.1072] _cell_length_b [11...	4.295	0.012	0.6353	0.0176
MP	CaGd2BeO5	data_[Ca4Gd8Be4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Gd 1.2000 1.8000 1.0750 Be 1.5700 1.0500 0.5900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [9.3673] _cell_length_b [6....	2.581	0.039	0.5129	0.0447
MP	CsTiCu3Se4	data_[Cs2Ti2Cu6Se8] 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 Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.8254] _cell_length_b [7...	1.251	0.0	0.3572	0.0
MP	VH12SO11	data_[V2H24S2O22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 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 [6.2255] _cell_length_b [7.5612] _c...	3.072	0.008	0.5539	0.0128
MP	YBi2BrO4	data_[Y1Bi2Br1O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Bi 2.0200 1.6000 1.0350 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.9197] _cell_length_b [3.919...	1.34	0.0	0.3707	0.0
MP	NaMn2V3(PbO6)2	data_[Na8Mn16V24Pb16O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/acd] _cell_l...	2.143	0.0	0.4705	0.0
MP	Sr2Li7CuN4	data_[Sr4Li14Cu2N8] 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 Cu 1.9000 1.3500 0.8200 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [3.7441] _cell_length_b [3.85...	0.568	0.0	0.2228	0.0
MP	Li6VCoP2(CO7)2	data_[Li6V1Co1P2C2O14] 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 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_na...	0.908	0.056	0.2976	0.0594
MP	Mo3(PO4)4	data_[Mo6P8O32] 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 [8.7888] _cell_length_b [5.1570] _cell_length_c [15.5127] _ce...	1.666	0.046	0.4156	0.0509
MP	Li7Mn(OF)3	data_[Li14Mn2O6F6] 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 [5.5196] _cell_length_b [6.0751] ...	2.835	0.279	0.5349	0.1983
MP	SiO2	data_[Si4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [5.0837] _cell_length_b [7.0418] _cell_length_c [5.0665] _cell_angle_alpha [90.0000] _cell_a...	5.66	0.007	0.7043	0.0115
MP	CaBeB2O5	data_[Ca4Be4B8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Be 1.5700 1.0500 0.5900 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 [5.2227] _cell_length_b [3.79...	5.693	0.004	0.7058	0.0073
MP	Ca2ZnPb	data_[Ca4Zn2Pb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Zn 1.6500 1.3500 0.8800 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.4904] _cell_length_b [13.3390] _cell_length_c [18.8575] ...	0.005	1.655	0.0061	0.5974
MP	Er3Pb4F17	data_[Er6Pb8F34] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Pb 2.3300 1.8000 1.1225 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.1516] _cell_length_b [9.1530] _cell_length_c [9.2029] _cell_...	5.074	0.0	0.6768	0.0
MP	RbNbS2O9	data_[Rb4Nb4S8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Nb 1.6000 1.4500 0.8200 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [17.6749] _cell_length_b [5.254...	2.781	0.0	0.5303	0.0
MP	Fe3O4	data_[Fe12O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.2229] _cell_length_b [5.9776] _cell_length_c [5.1008] _cell_angle_alpha [90.0000] _cell_an...	0.38	0.175	0.1706	0.1414
MP	LuSc(FeO3)2	data_[Lu3Sc3Fe6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Sc 1.3600 1.6000 0.8850 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3] _cell_length_a [5.9505] _cell_length_b [5.9505...	1.061	0.038	0.3257	0.0438
MP	SrTiFe(PO4)3	data_[Sr6Ti6Fe6P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ti 1.5400 1.4000 0.8517 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 [R3c] _cell_length_a...	2.235	0.005	0.48	0.0088
MP	Li3MnF6	data_[Li6Mn2F12] 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 [P-1] _cell_length_a [5.9068] _cell_length_b [6.1129] _cell_length_c [6.1721] _cell...	1.371	0.023	0.3753	0.0295
MP	BaYFe2O5	data_[Ba2Y2Fe4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Y 1.2200 1.8000 1.0400 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [7.9488] _cell_length_b [3.9709...	0.466	0.046	0.1957	0.0509
MP	Ca2VN3	data_[Ca16V8N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [5.6385] _cell_length_b [10.4622] _cell_length_c [11.6472] _ce...	1.651	0.0	0.4137	0.0
MP	Ho2MgS4	data_[Ho8Mg4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Mg 1.3100 1.5000 0.8600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.9431] _cell_length_b [7.2566] _cell_length_c [11.4102] _ce...	1.618	0.239	0.4094	0.1776
MP	CsP7	data_[Cs4P28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [9.5223] _cell_length_b [9.8126] _cell_length_c [9.7859] _cell_angle_alpha [90.0000] _cell_an...	1.277	0.0	0.3612	0.0
MP	CrH18I7N6	data_[Cr2H36I14N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 H 2.2000 0.2500 0.0000 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [15.9434] _cell_length_b [8.098...	1.421	0.023	0.3826	0.0295
MP	K2Cd2(SO4)3	data_[K8Cd8S12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cd 1.6900 1.5500 1.0900 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [10.3786] _cell_length_b [...	3.753	0.0	0.6021	0.0
MP	CaTeCO5	data_[Ca8Te8C8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Te 2.1000 1.4000 1.2933 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [7.1289] _cell_length_b [11.257...	3.871	0.0	0.6097	0.0
MP	Te4Xe(OF5)4	data_[Te4Xe1O4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Xe 2.6000 2.16 0.6200 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.7110] _cell_length_b [8.8472] _...	2.497	0.079	0.5053	0.0775
MP	K2Mo(SO5)2	data_[K8Mo4S8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mo 2.1600 1.4500 0.7750 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_a [9.1632] _cell_length_b [12.760...	2.88	0.0	0.5386	0.0
MP	LaPS4	data_[La16P16S64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I4_1/acd] _cell_length_a [11.1870] _cell_length_b [11.1870] _cell_length_c [19.588...	2.437	0.0	0.4997	0.0
MP	AlBP2H5NO9	data_[Al4B4P8H20N4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 B 2.0400 0.8500 0.4100 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_nam...	5.427	0.002	0.6937	0.0042
MP	KRb2Mo(OF)3	data_[K4Rb8Mo4O12F12] 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 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fmm2] _cell_length_a ...	2.796	0.049	0.5316	0.0535
MP	C68OF20	data_[C136O2F40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 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 [10.1777] _cell_length_b [12.3670] _cell_length_c [16.9281] _cel...	1.455	0.31	0.3874	0.2136
MP	Cs2U(Br2O)2	data_[Cs4U2Br8O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 U 1.3800 1.7500 0.9913 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.6877] _cell_length_b [10.02...	1.954	0.0	0.45	0.0
MP	LiMnIr2	data_[Li2Mn2Ir4] 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 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.4413] _cell_length_b [10.3140] _cell_length_c [14.5679] _...	0.591	2.921	0.2285	0.7816
MP	Rb3Cr(HO)6	data_[Rb18Cr6H36O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 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 [R-3c] _cell_length_a [11.0244] _cell_length_b [11....	0.33	0.806	0.1547	0.3998
MP	Li6V3P6WO24	data_[Li6V3P6W1O24] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.64...	1.524	0.059	0.3969	0.0618
MP	LiAgF3	data_[Li4Ag4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ag 1.9300 1.6000 1.0867 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.2709] _cell_length_b [5.6200] _cell_length_c [9.7185] _c...	0.089	0.073	0.0589	0.0729
MP	HPbClO	data_[H4Pb4Cl4O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.9650] _cell_length_b [4.0568...	2.898	0.0	0.54	0.0
MP	V3Co(PO4)6	data_[V9Co3P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.4628] _cell_length_b [8.4628] _...	1.221	0.022	0.3524	0.0285
MP	Cs2RbScI6	data_[Cs8Rb4Sc4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Rb 0.8200 2.3500 1.6600 Sc 1.3600 1.6000 0.8850 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [12.7784] _cell_length_b [12...	2.393	0.0	0.4955	0.0
MP	Pd2Cl2O	data_[Pd8Cl8O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pd 2.2000 1.4000 0.8462 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [6.4788] _cell_length_b [6.4788] _cell_length_c [10.0484] ...	0.464	0.036	0.1952	0.042
MP	LiB6(H5O)2	data_[Li4B24H40O8] 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 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.0000] _cell_length_b [9.3812...	5.343	0.121	0.6898	0.1073
MP	KLi4AlO4	data_[K8Li32Al8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.6014] _cell_length_b [15....	4.149	0.0	0.6268	0.0
MP	V3BO6	data_[V12B4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [10.3126] _cell_length_b [8.7183] _cell_length_c [4.4934] _cell_...	1.273	0.007	0.3606	0.0115
MP	Li2V5O10	data_[Li4V10O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.1150] _cell_length_b [7.7253] _cell_length_c [10.4234] _cell...	0.608	0.065	0.2327	0.0667
MP	Mn(C2N3)2	data_[Mn2C8N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [6.2615] _cell_length_b [7.4434] _cell_length_c [7.5212] _cell_...	0.179	0.157	0.0997	0.1305
MP	Ga2Se3	data_[Ga4Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [3.9038] _cell_length_b [11.8334] _cell_length_c [5.7870] _cell_angle_alpha [90.0000] _cell_...	0.512	0.006	0.2083	0.0101
MP	NaBeSb	data_[Na4Be4Sb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Be 1.5700 1.0500 0.5900 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.2388] _cell_length_b [6.2388] _cell_length_c [6.2388] _c...	0.998	0.186	0.3145	0.1479
MP	TlGeSbO5	data_[Tl8Ge8Sb8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Ge 2.0100 1.2500 0.7700 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [13.6054] _cell_length_b [6...	2.56	0.028	0.511	0.0345
MP	K3Sn5Cl3F10	data_[K12Sn20Cl12F40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sn 1.9600 1.4500 0.8300 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.3785] _cell_length_b [19....	3.231	0.0	0.5659	0.0
MP	KFe4(PO4)3	data_[K4Fe16P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 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 [Pnnm] _cell_length_a [9.9367] _cell_length_b [16.720...	3.372	0.005	0.5762	0.0088
MP	BaTi2O5	data_[Ba6Ti12O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [17.0702] _cell_length_b [3.9152] _cell_length_c [9.6948] _c...	1.83	0.023	0.4357	0.0295
MP	Mg2Nb3Bi3O14	data_[Mg6Nb9Bi9O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Nb 1.6000 1.4500 0.8200 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.5372] _cell_length_b [7.53...	2.598	0.058	0.5145	0.061
MP	CsV3(TeO6)2	data_[Cs2V6Te4O24] 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 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [7.2752] _cell_length_b [7.2752...	2.311	0.022	0.4876	0.0285
MP	CsZn2B3O7	data_[Cs12Zn24B36O84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Zn 1.6500 1.3500 0.8800 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [8.6394] _cell_length_b [1...	3.513	0.0	0.5861	0.0
MP	KNbSi2O7	data_[K4Nb4Si8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nb 1.6000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4bm] _cell_length_a [8.8774] _cell_length_b [8.8774...	3.52	0.0	0.5866	0.0
MP	Si	data_[Si8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [6.6901] _cell_length_b [6.6901] _cell_length_c [3.8621] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angl...	0.44	0.117	0.1884	0.1046
MP	KBe2B3O7	data_[K4Be8B12O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Be 1.5700 1.0500 0.5900 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [7.7205] _cell_length_b [17.69...	5.145	0.01	0.6803	0.0152
MP	Na2Al2(GeO4)3	data_[Na16Al16Ge24O96] 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 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [18.7469] _cell_length_b [...	0.319	0.243	0.1511	0.1797
MP	LiCu2PO4	data_[Li2Cu4P2O8] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [4.5087] _cell_length_b [4.5087] ...	0.218	0.117	0.1152	0.1046
MP	Pr5AgSe8	data_[Pr10Ag2Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [8.9565] _cell_length_b [8.9565] _cell_length_c [9.0942] _c...	1.454	0.017	0.3872	0.0232
MP	H3ClO	data_[H9Cl3O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.8476] _cell_length_b [4.8476] _cell_length_c [9.3947] _cell_an...	5.386	0.006	0.6918	0.0101
MP	CsY2Cl7	data_[Cs4Y8Cl28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Y 1.2200 1.8000 1.0400 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [14.0873] _cell_length_b [7.0573] _cell_length_c [12.7483] _c...	4.42	0.0	0.6424	0.0
MP	NaBiTe2	data_[Na3Bi3Te6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.5104] _cell_length_b [4.5104] _cell_length_c [22.8847] _c...	1.065	0.0	0.3264	0.0
MP	MgMnN2	data_[Mg3Mn3N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Mn 1.5500 1.4000 0.6483 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [2.9559] _cell_length_b [2.9559] _cell_length_c [14.7589] _cel...	0.0	0.0	0.0	0.0
MP	GaCuBr4	data_[Ga2Cu2Br8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-42c] _cell_length_a [5.9293] _cell_length_b [5.9293] _cell_length_c [10.8714] _...	1.99	0.0	0.454	0.0
MP	NdTl(MoO4)2	data_[Nd2Tl2Mo4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Tl 1.6200 1.9000 1.3325 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nnc] _cell_length_a [6.4112] _cell_length_b [6....	3.567	0.0	0.5898	0.0
MP	Li4Nb2Fe3Te3O16	data_[Li4Nb2Fe3Te3O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 Fe 1.8300 1.4000 0.8525 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...	2.144	0.094	0.4706	0.0886
MP	V5O9	data_[V10O18] 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 [P1] _cell_length_a [5.6293] _cell_length_b [7.1096] _cell_length_c [8.5813] _cell_angle_alpha [69.7977] _cell_angle...	0.779	0.039	0.2715	0.0447

MP

LiFeH12(SO7)2

data_[Li2Fe2H24S4O28] 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 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] _cell_length_a ...

2.353

0.034

0.4917

0.0402

MP

Li15Cr2N9

data_[Li60Cr8N36] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [9.3790] _cell_length_b [10.2275] _cell_length_c [10.2186]...

1.336

0.0

0.3701

0.0

MP

Ba4Nb2WO12

data_[Ba12Nb6W3O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Nb 1.6000 1.4500 0.8200 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.8723] _cell_length_b [5.8723...

2.736

0.0

0.5265

0.0

MP

Sr2HfTiO6

data_[Sr4Hf2Ti2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Hf 1.3000 1.5500 0.8500 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.8817] _cell_length_b [5.71...

2.481

0.019

0.5038

0.0254

MP

LiMg30SbO32

data_[Li1Mg30Sb1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mg 1.3100 1.5000 0.8600 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5750] _cell_length_b [8...

2.883

0.04

0.5388

0.0456

MP

ErFeC6(N3O2)2

data_[Er2Fe2C12N12O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Fe 1.8300 1.4000 0.8525 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/m] _cell_length_...

1.74

1.17

0.4248

0.4965

MP

LiCoOF2

data_[Li4Co4O4F8] 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 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [8.6060] _cell_length_b [5.2885] _...

0.221

0.117

0.1163

0.1046

MP

N2

data_[N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pmna] _cell_length_a [9.7096] _cell_length_b [4.2398] _cell_length_c [9.4602] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_g...

0.272

2.177

0.1351

0.6838

MP

LiVF3

data_[Li4V4F12] 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 [Pnma] _cell_length_a [5.4558] _cell_length_b [7.8343] _cell_length_c [5.3667] _cell_...

2.624

0.036

0.5168

0.042

MP

Sm2Mn3(SbS3)4

data_[Sm4Mn6Sb8S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Mn 1.5500 1.4000 0.6483 Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [19.9689] _cell_length_b [3.8...

0.14

0.029

0.0831

0.0354

MP

K2Ge2Pb2O7

data_[K2Ge2Pb2O7] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ge 2.0100 1.2500 0.7700 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [5.8856] _cell_length_b [5.8856] ...

3.165

0.0

0.561

0.0

MP

KTa(AgSe2)2

data_[K4Ta4Ag8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ta 1.5000 1.4500 0.8200 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [8.3758] _cell_length_b [19.9...

1.748

0.0

0.4258

0.0

MP

K2InH2Cl5O

data_[K8In4H8Cl20O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 In 1.7800 1.5500 0.9400 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [...

3.661

0.0

0.5961

0.0

MP

CrAgO4

data_[Cr4Ag4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.8121] _cell_length_b [8.8090] _cell_length_c [8.6102] _c...

1.437

0.404

0.3848

0.2565

MP

RbFeBP2HO9

data_[Rb4Fe4B4P8H4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Fe 1.8300 1.4000 0.8525 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_na...

2.744

0.0

0.5272

0.0

MP

Na3MoO4

data_[Na6Mo2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [7.4659] _cell_length_b [6.2168] _cell_length_c [5.6642] _ce...

1.371

0.016

0.3753

0.0221

MP

H4NClO

data_[H16N4Cl4O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 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 [6.9992] _cell_length_b [6.0840...

5.481

0.206

0.6962

0.1594

MP

Li2Th(AsO4)2

data_[Li8Th4As8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Th 1.3000 1.8000 1.0800 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.2336] _cell_length_b [14...

3.949

0.0

0.6146

0.0

MP

Li2TlIn

data_[Li4Tl2In2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tl 1.6200 1.9000 1.3325 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.6273] _cell_length_b [11.8747] _cell_length_c [16.6282] ...

0.067

1.264

0.0473

0.5181

MP

As3Pb5ClO9

data_[As6Pb10Cl2O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.7928] _cell_length_b [10...

2.02

0.087

0.4573

0.0835

MP

KCaBr3

data_[K4Ca4Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ca 1.0000 1.8000 1.1400 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.3094] _cell_length_b [14.4246] _cell_length_c [10.8570] _c...

4.405

0.0

0.6416

0.0

MP

ReH3O5

data_[Re2H6O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.4588] _cell_length_b [5.7782] _cell_length_c [7.5868] _cell_an...

3.755

0.028

0.6023

0.0345

MP

Li4ZrF8

data_[Li16Zr4F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Zr 1.3300 1.5500 0.8600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.7384] _cell_length_b [9.7469] _cell_length_c [5.7579] _ce...

5.968

0.0

0.7177

0.0

MP

Ba4LiCu(CO5)2

data_[Ba8Li2Cu2C4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Li 0.9800 1.4500 0.9000 Cu 1.9000 1.3500 0.8200 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_...

0.542

0.0

0.2161

0.0

MP

AlAgSnSe4

data_[Al2Ag2Sn2Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Ag 1.9300 1.6000 1.0867 Sn 1.9600 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [6.0562] _cell_length_b [6.05...

1.107

0.0

0.3337

0.0

MP

SbP(Cl2F3)2

data_[Sb2P2Cl8F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 P 2.1900 1.0000 0.5500 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/n] _cell_length_a [8.7161] _cell_length_b [8.7161...

4.487

0.096

0.6461

0.09

MP

Tl2Te3O7

data_[Tl4Te6O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9675] _cell_length_b [7.6299] _cell_length_c [10.3533] _cel...

2.81

0.002

0.5328

0.0042

MP

SmTiNbBi2O9

data_[Sm2Ti2Nb2Bi4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length...

2.722

0.01

0.5253

0.0152

MP

LiNiPO4

data_[Li4Ni4P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 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 [Pbcn] _cell_length_a [4.2878] _cell_length_b [14.291...

3.423

0.067

0.5798

0.0682

MP

Li5Mn5(CoO6)2

data_[Li10Mn10Co4O24] 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] _cell_length_a [5.2292] _cell_length_b [8.89...

0.522

0.044

0.2109

0.0492

MP

NbP(Cl3O)2

data_[Nb16P16Cl96O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 P 2.1900 1.0000 0.5500 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 [17.5961] _cell_length_b [...

2.673

0.026

0.5211

0.0325

MP

La4PClO8

data_[La32P8Cl8O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 P 2.1900 1.0000 0.5500 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 [11.1072] _cell_length_b [11...

4.295

0.012

0.6353

0.0176

MP

CaGd2BeO5

data_[Ca4Gd8Be4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Gd 1.2000 1.8000 1.0750 Be 1.5700 1.0500 0.5900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [9.3673] _cell_length_b [6....

2.581

0.039

0.5129

0.0447

MP

CsTiCu3Se4

data_[Cs2Ti2Cu6Se8] 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 Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.8254] _cell_length_b [7...

1.251

0.0

0.3572

0.0

MP

VH12SO11

data_[V2H24S2O22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 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 [6.2255] _cell_length_b [7.5612] _c...

3.072

0.008

0.5539

0.0128

MP

YBi2BrO4

data_[Y1Bi2Br1O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Bi 2.0200 1.6000 1.0350 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.9197] _cell_length_b [3.919...

1.34

0.0

0.3707

0.0

MP

NaMn2V3(PbO6)2

data_[Na8Mn16V24Pb16O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/acd] _cell_l...

2.143

0.0

0.4705

0.0

MP

Sr2Li7CuN4

data_[Sr4Li14Cu2N8] 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 Cu 1.9000 1.3500 0.8200 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [3.7441] _cell_length_b [3.85...

0.568

0.0

0.2228

0.0

MP

Li6VCoP2(CO7)2

data_[Li6V1Co1P2C2O14] 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 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_na...

0.908

0.056

0.2976

0.0594

MP

Mo3(PO4)4

data_[Mo6P8O32] 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 [8.7888] _cell_length_b [5.1570] _cell_length_c [15.5127] _ce...

1.666

0.046

0.4156

0.0509

MP

Li7Mn(OF)3

data_[Li14Mn2O6F6] 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 [5.5196] _cell_length_b [6.0751] ...

2.835

0.279

0.5349

0.1983

MP

SiO2

data_[Si4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [5.0837] _cell_length_b [7.0418] _cell_length_c [5.0665] _cell_angle_alpha [90.0000] _cell_a...

5.66

0.007

0.7043

0.0115

MP

CaBeB2O5

data_[Ca4Be4B8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Be 1.5700 1.0500 0.5900 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 [5.2227] _cell_length_b [3.79...

5.693

0.004

0.7058

0.0073

MP

Ca2ZnPb

data_[Ca4Zn2Pb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Zn 1.6500 1.3500 0.8800 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.4904] _cell_length_b [13.3390] _cell_length_c [18.8575] ...

0.005

1.655

0.0061

0.5974

MP

Er3Pb4F17

data_[Er6Pb8F34] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Pb 2.3300 1.8000 1.1225 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.1516] _cell_length_b [9.1530] _cell_length_c [9.2029] _cell_...

5.074

0.0

0.6768

0.0

MP

RbNbS2O9

data_[Rb4Nb4S8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Nb 1.6000 1.4500 0.8200 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [17.6749] _cell_length_b [5.254...

2.781

0.0

0.5303

0.0

MP

Fe3O4

data_[Fe12O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.2229] _cell_length_b [5.9776] _cell_length_c [5.1008] _cell_angle_alpha [90.0000] _cell_an...

0.38

0.175

0.1706

0.1414

MP

LuSc(FeO3)2

data_[Lu3Sc3Fe6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Sc 1.3600 1.6000 0.8850 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3] _cell_length_a [5.9505] _cell_length_b [5.9505...

1.061

0.038

0.3257

0.0438

MP

SrTiFe(PO4)3

data_[Sr6Ti6Fe6P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ti 1.5400 1.4000 0.8517 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 [R3c] _cell_length_a...

2.235

0.005

0.48

0.0088

MP

Li3MnF6

data_[Li6Mn2F12] 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 [P-1] _cell_length_a [5.9068] _cell_length_b [6.1129] _cell_length_c [6.1721] _cell...

1.371

0.023

0.3753

0.0295

MP

BaYFe2O5

data_[Ba2Y2Fe4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Y 1.2200 1.8000 1.0400 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [7.9488] _cell_length_b [3.9709...

0.466

0.046

0.1957

0.0509

MP

Ca2VN3

data_[Ca16V8N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [5.6385] _cell_length_b [10.4622] _cell_length_c [11.6472] _ce...

1.651

0.0

0.4137

0.0

MP

Ho2MgS4

data_[Ho8Mg4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Mg 1.3100 1.5000 0.8600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.9431] _cell_length_b [7.2566] _cell_length_c [11.4102] _ce...

1.618

0.239

0.4094

0.1776

MP

CsP7

data_[Cs4P28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [9.5223] _cell_length_b [9.8126] _cell_length_c [9.7859] _cell_angle_alpha [90.0000] _cell_an...

1.277

0.0

0.3612

0.0

MP

CrH18I7N6

data_[Cr2H36I14N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 H 2.2000 0.2500 0.0000 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [15.9434] _cell_length_b [8.098...

1.421

0.023

0.3826

0.0295

MP

K2Cd2(SO4)3

data_[K8Cd8S12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cd 1.6900 1.5500 1.0900 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [10.3786] _cell_length_b [...

3.753

0.0

0.6021

0.0

MP

CaTeCO5

data_[Ca8Te8C8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Te 2.1000 1.4000 1.2933 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [7.1289] _cell_length_b [11.257...

3.871

0.0

0.6097

0.0

MP

Te4Xe(OF5)4

data_[Te4Xe1O4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Xe 2.6000 2.16 0.6200 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.7110] _cell_length_b [8.8472] _...

2.497

0.079

0.5053

0.0775

MP

K2Mo(SO5)2

data_[K8Mo4S8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mo 2.1600 1.4500 0.7750 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_a [9.1632] _cell_length_b [12.760...

2.88

0.0

0.5386

0.0

MP

LaPS4

data_[La16P16S64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I4_1/acd] _cell_length_a [11.1870] _cell_length_b [11.1870] _cell_length_c [19.588...

2.437

0.0

0.4997

0.0

MP

AlBP2H5NO9

data_[Al4B4P8H20N4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 B 2.0400 0.8500 0.4100 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_nam...

5.427

0.002

0.6937

0.0042

MP

KRb2Mo(OF)3

data_[K4Rb8Mo4O12F12] 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 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fmm2] _cell_length_a ...

2.796

0.049

0.5316

0.0535

MP

C68OF20

data_[C136O2F40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 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 [10.1777] _cell_length_b [12.3670] _cell_length_c [16.9281] _cel...

1.455

0.31

0.3874

0.2136

MP

Cs2U(Br2O)2

data_[Cs4U2Br8O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 U 1.3800 1.7500 0.9913 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.6877] _cell_length_b [10.02...

1.954

0.0

0.45

0.0

MP

LiMnIr2

data_[Li2Mn2Ir4] 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 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.4413] _cell_length_b [10.3140] _cell_length_c [14.5679] _...

0.591

2.921

0.2285

0.7816

MP

Rb3Cr(HO)6

data_[Rb18Cr6H36O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 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 [R-3c] _cell_length_a [11.0244] _cell_length_b [11....

0.33

0.806

0.1547

0.3998

MP

Li6V3P6WO24

data_[Li6V3P6W1O24] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.64...

1.524

0.059

0.3969

0.0618

MP

LiAgF3

data_[Li4Ag4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ag 1.9300 1.6000 1.0867 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.2709] _cell_length_b [5.6200] _cell_length_c [9.7185] _c...

0.089

0.073

0.0589

0.0729

MP

HPbClO

data_[H4Pb4Cl4O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.9650] _cell_length_b [4.0568...

2.898

0.0

0.54

0.0

MP

V3Co(PO4)6

data_[V9Co3P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.4628] _cell_length_b [8.4628] _...

1.221

0.022

0.3524

0.0285

MP

Cs2RbScI6

data_[Cs8Rb4Sc4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Rb 0.8200 2.3500 1.6600 Sc 1.3600 1.6000 0.8850 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [12.7784] _cell_length_b [12...

2.393

0.0

0.4955

0.0

MP

Pd2Cl2O

data_[Pd8Cl8O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pd 2.2000 1.4000 0.8462 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [6.4788] _cell_length_b [6.4788] _cell_length_c [10.0484] ...

0.464

0.036

0.1952

0.042

MP

LiB6(H5O)2

data_[Li4B24H40O8] 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 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.0000] _cell_length_b [9.3812...

5.343

0.121

0.6898

0.1073

MP

KLi4AlO4

data_[K8Li32Al8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.6014] _cell_length_b [15....

4.149

0.0

0.6268

0.0

MP

V3BO6

data_[V12B4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [10.3126] _cell_length_b [8.7183] _cell_length_c [4.4934] _cell_...

1.273

0.007

0.3606

0.0115

MP

Li2V5O10

data_[Li4V10O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.1150] _cell_length_b [7.7253] _cell_length_c [10.4234] _cell...

0.608

0.065

0.2327

0.0667

MP

Mn(C2N3)2

data_[Mn2C8N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [6.2615] _cell_length_b [7.4434] _cell_length_c [7.5212] _cell_...

0.179

0.157

0.0997

0.1305

MP

Ga2Se3

data_[Ga4Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [3.9038] _cell_length_b [11.8334] _cell_length_c [5.7870] _cell_angle_alpha [90.0000] _cell_...

0.512

0.006

0.2083

0.0101

MP

NaBeSb

data_[Na4Be4Sb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Be 1.5700 1.0500 0.5900 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.2388] _cell_length_b [6.2388] _cell_length_c [6.2388] _c...

0.998

0.186

0.3145

0.1479

MP

TlGeSbO5

data_[Tl8Ge8Sb8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Ge 2.0100 1.2500 0.7700 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [13.6054] _cell_length_b [6...

2.56

0.028

0.511

0.0345

MP

K3Sn5Cl3F10

data_[K12Sn20Cl12F40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sn 1.9600 1.4500 0.8300 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.3785] _cell_length_b [19....

3.231

0.0

0.5659

0.0

MP

KFe4(PO4)3

data_[K4Fe16P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 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 [Pnnm] _cell_length_a [9.9367] _cell_length_b [16.720...

3.372

0.005

0.5762

0.0088

MP

BaTi2O5

data_[Ba6Ti12O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [17.0702] _cell_length_b [3.9152] _cell_length_c [9.6948] _c...

1.83

0.023

0.4357

0.0295

MP

Mg2Nb3Bi3O14

data_[Mg6Nb9Bi9O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Nb 1.6000 1.4500 0.8200 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.5372] _cell_length_b [7.53...

2.598

0.058

0.5145

0.061

MP

CsV3(TeO6)2

data_[Cs2V6Te4O24] 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 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [7.2752] _cell_length_b [7.2752...

2.311

0.022

0.4876

0.0285

MP

CsZn2B3O7

data_[Cs12Zn24B36O84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Zn 1.6500 1.3500 0.8800 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [8.6394] _cell_length_b [1...

3.513

0.0

0.5861

0.0

MP

KNbSi2O7

data_[K4Nb4Si8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nb 1.6000 1.4500 0.8200 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4bm] _cell_length_a [8.8774] _cell_length_b [8.8774...

3.52

0.0

0.5866

0.0

MP

Si

data_[Si8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [6.6901] _cell_length_b [6.6901] _cell_length_c [3.8621] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angl...

0.44

0.117

0.1884

0.1046

MP

KBe2B3O7

data_[K4Be8B12O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Be 1.5700 1.0500 0.5900 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [7.7205] _cell_length_b [17.69...

5.145

0.01

0.6803

0.0152

MP

Na2Al2(GeO4)3

data_[Na16Al16Ge24O96] 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 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [18.7469] _cell_length_b [...

0.319

0.243

0.1511

0.1797

MP

LiCu2PO4

data_[Li2Cu4P2O8] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [4.5087] _cell_length_b [4.5087] ...

0.218

0.117

0.1152

0.1046

MP

Pr5AgSe8

data_[Pr10Ag2Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [8.9565] _cell_length_b [8.9565] _cell_length_c [9.0942] _c...

1.454

0.017

0.3872

0.0232

MP

H3ClO

data_[H9Cl3O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.8476] _cell_length_b [4.8476] _cell_length_c [9.3947] _cell_an...

5.386

0.006

0.6918

0.0101

MP

CsY2Cl7

data_[Cs4Y8Cl28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Y 1.2200 1.8000 1.0400 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [14.0873] _cell_length_b [7.0573] _cell_length_c [12.7483] _c...

4.42

0.0

0.6424

0.0

MP

NaBiTe2

data_[Na3Bi3Te6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.5104] _cell_length_b [4.5104] _cell_length_c [22.8847] _c...

1.065

0.0

0.3264

0.0

MP

MgMnN2

data_[Mg3Mn3N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Mn 1.5500 1.4000 0.6483 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [2.9559] _cell_length_b [2.9559] _cell_length_c [14.7589] _cel...

0.0

MP

GaCuBr4

data_[Ga2Cu2Br8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-42c] _cell_length_a [5.9293] _cell_length_b [5.9293] _cell_length_c [10.8714] _...

1.99

0.0

0.454

0.0

MP

NdTl(MoO4)2

data_[Nd2Tl2Mo4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Tl 1.6200 1.9000 1.3325 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nnc] _cell_length_a [6.4112] _cell_length_b [6....

3.567

0.0

0.5898

0.0

MP

Li4Nb2Fe3Te3O16

data_[Li4Nb2Fe3Te3O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 Fe 1.8300 1.4000 0.8525 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...

2.144

0.094

0.4706

0.0886

MP

V5O9

data_[V10O18] 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 [P1] _cell_length_a [5.6293] _cell_length_b [7.1096] _cell_length_c [8.5813] _cell_angle_alpha [69.7977] _cell_angle...

0.779

0.039

0.2715

0.0447