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	Rb3CO3F	data_[Rb18C6O18F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 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 [R-3c] _cell_length_a [7.9887] _cell_length_b [7.9887]...	3.461	0.009	0.5825	0.014
MP	NaH	data_[Na1H1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [2.9551] _cell_length_b [2.9551] _cell_length_c [2.9551] _cell_angle_alpha [90.0000] _cell_an...	1.033	0.157	0.3208	0.1305
MP	YMoN3	data_[Y8Mo8N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.1571] _cell_length_b [9.6101] _cell_length_c [6.2999] _cell...	1.909	0.0	0.4449	0.0
MP	Mn(SbSe2)2	data_[Mn4Sb8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.3092] _cell_length_b [4.0152] _cell_length_c [15.6523] ...	0.393	0.0	0.1745	0.0
MP	Y2Sn2O7	data_[Y16Sn16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.5146] _cell_length_b [10.5146] _cell_length_c [10.5146] ...	2.75	0.0	0.5277	0.0
MP	Sm6Cd(SiS7)2	data_[Sm6Cd1Si2S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Cd 1.6900 1.5500 1.0900 Si 1.9000 1.1000 0.5400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P3] _cell_length_a [10.1775] _cell_length_b [10.17...	1.874	0.0	0.4409	0.0
MP	LiFeP2O7	data_[Li4Fe4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.4564] _cell_length_b [9.3685] ...	2.258	0.037	0.4823	0.0429
MP	NaPO3	data_[Na8P8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [7.7508] _cell_length_b [6.1005] _cell_length_c [13.3929] _ce...	5.158	0.008	0.6809	0.0128
MP	ZrMnTlF7	data_[Zr4Mn4Tl4F28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 Tl 1.6200 1.9000 1.3325 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [6.7857] _cell_length_b [11.2...	2.311	0.0	0.4876	0.0
MP	Zn2As2O7	data_[Zn24As24O84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [20.6017] _cell_length_b [8.5839] _cell_length_c [9.7586] _...	1.777	0.013	0.4294	0.0188
MP	Cr3HgF6	data_[Cr3Hg1F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Hg 2.0000 1.5000 1.2450 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.6599] _cell_length_b [8.9890] _cell_length_c [16.5583] _cell...	1.154	0.9	0.3416	0.4271
MP	PrCl3	data_[Pr2Cl6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [7.5543] _cell_length_b [7.5543] _cell_length_c [4.3114] _cell_angle_alpha [90.0000] _cell...	4.345	0.0	0.6382	0.0
MP	KCr5S8	data_[K2Cr10S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cr 1.6600 1.4000 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [18.0565] _cell_length_b [3.5038] _cell_length_c [8.7175] _cel...	0.237	0.0	0.1224	0.0
MP	Rb2H4Pt	data_[Rb4H8Pt2] 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 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [5.9626] _cell_length_b [5.9626] _cell_length_c [8.4180] _...	3.288	0.0	0.5701	0.0
MP	Fe7(OF7)2	data_[Fe7O2F14] 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 [P-1] _cell_length_a [4.8473] _cell_length_b [6.0721] _cell_length_c [10.3942] _cell_...	1.056	0.086	0.3249	0.0827
MP	Na9Cr2(H9O7)3	data_[Na18Cr4H54O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cr 1.6600 1.4000 0.9400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.8056] _cell_length_b [11.50...	3.309	0.014	0.5716	0.0199
MP	Tb3Ga2	data_[Tb48Ga32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [11.6735] _cell_length_b [11.6735] _cell_length_c [15.0120] _cell_angle_alpha [90.0000] ...	0.017	0.0	0.0161	0.0
MP	Na3GdTi2Nb2O12	data_[Na3Gd1Ti2Nb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Gd 1.2000 1.8000 1.0750 Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...	2.437	0.013	0.4997	0.0188
MP	Ba2CaWO6	data_[Ba4Ca2W2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ca 1.0000 1.8000 1.1400 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.4290] _cell_length_b [6.019...	3.291	0.0	0.5703	0.0
MP	Pr3TaO7	data_[Pr12Ta4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [11.1026] _cell_length_b [7.6189] _cell_length_c [7.7688] _c...	3.418	0.0	0.5795	0.0
MP	InSbO4	data_[In4Sb4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.6317] _cell_length_b [5.3019] _cell_length_c [7.5277] _c...	0.941	0.0	0.3039	0.0
MP	AlSb5Se5Cl4	data_[Al2Sb10Se10Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.7019] _cell_length_b [9....	1.396	0.0	0.379	0.0
MP	SrLi(B3O5)3	data_[Sr6Li6B54O90] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3c] _cell_length_a [10.8196] _cell_length_b [10.81...	5.753	0.0	0.7084	0.0
MP	Ca3Ti2O7	data_[Ca12Ti8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [19.4756] _cell_length_b [5.4630] _cell_length_c [5.5373] ...	2.53	0.003	0.5083	0.0058
MP	Ga2HgO4	data_[Ga16Hg8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Hg 2.0000 1.5000 1.2450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [8.8363] _cell_length_b [8.8363] _cell_length_c [8.8363] _c...	0.564	0.034	0.2218	0.0402
MP	Sc2InHg	data_[Sc4In2Hg2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 In 1.7800 1.5500 0.9400 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.8012] _cell_length_b [12.1600] _cell_length_c [17.3493] ...	0.011	2.278	0.0114	0.6985
MP	AsRhSe	data_[As4Rh4Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 Rh 2.2800 1.3500 0.7450 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [6.0129] _cell_length_b [6.0129] _cell_length_c [6.0129] _c...	0.914	0.0	0.2988	0.0
MP	SiO2	data_[Si28O56] 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 [C2/m] _cell_length_a [25.9561] _cell_length_b [5.2802] _cell_length_c [12.2570] _cell_angle_alpha [90.0000] _cell...	5.505	0.017	0.6973	0.0232
MP	Ba38Na58Li26H	data_[Ba152Na232Li104H4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [27.4109] _cell_length_...	0.061	0.018	0.044	0.0243
MP	Na7NbO6	data_[Na21Nb3O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [6.4791] _cell_length_b [6.4791] _cell_length_c [15.7155] _cel...	2.746	0.093	0.5274	0.0879
MP	BaAl4Se7	data_[Ba2Al8Se14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Al 1.6100 1.2500 0.6750 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [7.7227] _cell_length_b [6.6252] _cell_length_c [14.9144] _ce...	2.393	0.019	0.4955	0.0254
MP	CsIn3O5	data_[Cs4In12O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [10.2974] _cell_length_b [3.4007] _cell_length_c [16.7937] _...	1.47	0.0	0.3895	0.0
MP	LiSn6P7O24	data_[Li2Sn12P14O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.2706] _cell_length_b [27...	2.679	0.06	0.5216	0.0626
MP	SrTcN3	data_[Sr8Tc8N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Tc 1.9000 1.3500 0.7417 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.9544] _cell_length_b [10.5385] _cell_length_c [6.1805] _c...	1.582	0.0	0.4047	0.0
MP	ScTlO3	data_[Sc4Tl4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.6815] _cell_length_b [8.1778] _cell_length_c [5.5182] _cel...	1.289	0.079	0.363	0.0775
MP	Cs2(CoN8)3	data_[Cs4Co6N48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Co 1.8800 1.3500 0.7683 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.2761] _cell_length_b [5.7218] _cell_length_c [16.2199] ...	0.07	0.43	0.0489	0.2675
MP	KRb2ScF6	data_[K2Rb4Sc2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 Sc 1.3600 1.6000 0.8850 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [6.4170] _cell_length_b [6.4170...	6.518	0.002	0.7401	0.0042
MP	Li7NbN4	data_[Li56Nb8N32] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [9.8597] _cell_length_b [9.8597] _cell_length_c [9.8597] _ce...	3.396	0.0	0.5779	0.0
MP	BaCaI4	data_[Ba2Ca2I8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ca 1.0000 1.8000 1.1400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [8.0372] _cell_length_b [8.3405] _cell_length_c [8.3270] _cell...	3.787	0.028	0.6044	0.0345
MP	TeMoSe	data_[Te2Mo2Se2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.4386] _cell_length_b [3.4386] _cell_length_c [24.3653] _c...	0.467	0.029	0.196	0.0354
MP	Li5Ti3V2(PO4)6	data_[Li5Ti3V2P6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8....	0.083	0.107	0.0558	0.0978
MP	LiNiPO4	data_[Li8Ni8P8O32] 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 [Pbca] _cell_length_a [5.7528] _cell_length_b [7.4674...	3.264	0.062	0.5684	0.0643
MP	CaLaTiMnO6	data_[Ca2La2Ti2Mn2O12] 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 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 [Pc] _cell_length_a...	0.249	0.092	0.1268	0.0871
MP	K2YF5	data_[K8Y4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Y 1.2200 1.8000 1.0400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [10.9994] _cell_length_b [7.3466] _cell_length_c [6.7100] _cell_a...	6.81	0.0	0.7513	0.0
MP	Dy4Al2O9	data_[Dy16Al8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.4496] _cell_length_b [10.5917] _cell_length_c [11.1928]...	4.006	0.014	0.6181	0.0199
MP	Li4Mo3O8	data_[Li24Mo18O48] 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 [R-3m] _cell_length_a [5.8305] _cell_length_b [5.8305] _cell_length_c [32.4944] _...	0.002	0.084	0.0029	0.0813
MP	Li5Co9(P2O7)8	data_[Li5Co9P16O56] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.6233] _cell_length_b [10.7107...	0.001	0.078	0.0017	0.0768
MP	LaRhO3	data_[La4Rh4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.8786] _cell_length_b [7.9454] _cell_length_c [5.5213] _cel...	0.594	0.0	0.2293	0.0
MP	NaHo9(Si3O13)2	data_[Na1Ho9Si6O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ho 1.2300 1.7500 1.0410 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3] _cell_length_a [9.4175] _cell_length_b [9.4175...	4.38	0.0	0.6401	0.0
MP	Sr3(GaO3)2	data_[Sr72Ga48O144] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [16.3048] _cell_length_b [16.3048] _cell_length_c [16.3048...	3.5	0.002	0.5852	0.0042
MP	VAg2HgO4	data_[V16Ag32Hg16O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Ag 1.9300 1.6000 1.0867 Hg 2.0000 1.5000 1.2450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [12.9823] _cell_length_b [1...	0.741	0.031	0.2634	0.0374
MP	NdVO3	data_[Nd4V4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.7456] _cell_length_b [7.8438] _cell_length_c [5.4916] _cell_...	1.034	0.0	0.321	0.0
MP	Ca2FeCuSO3	data_[Ca4Fe2Cu2S2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Fe 1.8300 1.4000 0.8525 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_...	0.676	0.067	0.2488	0.0682
MP	V4ZnCu3O14	data_[V4Zn1Cu3O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Zn 1.6500 1.3500 0.8800 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.6174] _cell_length_b [5.6749] ...	0.326	0.004	0.1534	0.0073
MP	K2P2H2O7	data_[K12P12H12O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.8956] _cell_length_b [17.66...	5.085	0.044	0.6774	0.0492
MP	In10(Pb2S7)3	data_[In10Pb6S21] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.9057] _cell_length_b [14.1317] _cell_length_c [15.9222] _ce...	1.185	0.001	0.3466	0.0024
MP	LiMn2O4	data_[Li6Mn12O24] 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 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.8950] _cell_length_b [5.8950] _cell_length_c [14.5965] _ce...	0.31	0.046	0.1481	0.0509
MP	RbDyS2	data_[Rb3Dy3S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Dy 1.2200 1.7500 1.1310 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.0818] _cell_length_b [4.0818] _cell_length_c [23.0435] _cel...	2.322	0.0	0.4886	0.0
MP	B8O	data_[B48O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [8.7975] _cell_length_b [5.3177] _cell_length_c [9.1459] _cell_angle_alpha [90.0000] _cell_angle_...	0.0	0.022	0.0	0.0285
MP	Bi2B3HO8	data_[Bi16B24H8O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 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 [Pbca] _cell_length_a [6.1060] _cell_length_b [11.554...	3.225	0.007	0.5655	0.0115
MP	KAuF6	data_[K3Au3F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Au 2.5400 1.3500 1.0700 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.8431] _cell_length_b [7.8431] _cell_length_c [7.4836] _cell_...	2.112	0.0	0.4673	0.0
MP	NaLa2Ti2MnO9	data_[Na2La4Ti4Mn2O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 La 1.1000 1.9500 1.1720 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_a...	0.125	0.07	0.0763	0.0706
MP	Li5Mn5(SeO3)8	data_[Li5Mn5Se8O24] 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 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.6672] _cell_length_b [8.5217...	0.868	0.0	0.2898	0.0
MP	SiMoP3O11	data_[Si12Mo12P36O132] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 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 [R-3c] _cell_length_a [8.6353] _cell_length_b [8....	4.363	0.0	0.6392	0.0
MP	NaClO2	data_[Na2Cl2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [4.8534] _cell_length_b [6.4491] _cell_length_c [6.7337] _cell_a...	2.37	0.376	0.4933	0.2442
MP	Li4H6Os	data_[Li24H36Os6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 H 2.2000 0.2500 0.0000 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [8.2764] _cell_length_b [8.2764] _cell_length_c [10.1958] _c...	2.691	0.0	0.5226	0.0
MP	Tm4MgS7	data_[Tm8Mg2S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Mg 1.3100 1.5000 0.8600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [12.4789] _cell_length_b [3.7588] _cell_length_c [11.3844] _cel...	1.102	0.035	0.3328	0.0411
MP	Nd2Ti12(CuO4)9	data_[Nd2Ti12Cu9O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ti 1.5400 1.4000 0.8517 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [10.5368] _cell_length_b [10....	0.09	0.052	0.0594	0.056
MP	Ba2SmMoO6	data_[Ba4Sm2Mo2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sm 1.1700 1.8500 1.2290 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [6.1266] _cell_length_b [6.12...	0.909	0.0	0.2978	0.0
MP	Li2ZnGeO4	data_[Li4Zn2Ge2O8] 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 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [5.1223] _cell_length_b [5.5012]...	3.105	0.0	0.5564	0.0
MP	InP	data_[In2P2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [4.2105] _cell_length_b [4.2105] _cell_length_c [6.9022] _cell_angle_alpha [90.0000] _cell_a...	0.528	0.004	0.2125	0.0073
MP	NaAg(CO2)2	data_[Na2Ag2C4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ag 1.9300 1.6000 1.0867 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [3.6338] _cell_length_b [5.1724]...	2.539	0.135	0.5091	0.1166
MP	YAuO2	data_[Y2Au2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Au 2.5400 1.3500 1.0700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.5947] _cell_length_b [3.5947] _cell_length_c [12.1938] _c...	2.686	0.002	0.5222	0.0042
MP	WCl2	data_[W24Cl48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ W 2.3600 1.3500 0.7667 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [14.4253] _cell_length_b [11.4947] _cell_length_c [11.5166] _cell_angle_alpha [90.0000] _cel...	2.822	0.0	0.5338	0.0
MP	NaUBO5	data_[Na4U4B4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 U 1.3800 1.7500 0.9913 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [5.9279] _cell_length_b [10.8206]...	1.93	0.0	0.4473	0.0
MP	Cs2TlSbBr6	data_[Cs8Tl4Sb4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Tl 1.6200 1.9000 1.3325 Sb 2.0500 1.4500 0.8300 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.9695] _cell_length_b [...	1.229	0.015	0.3537	0.021
MP	LiDySe2	data_[Li1Dy1Se2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Dy 1.2200 1.7500 1.1310 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.0896] _cell_length_b [4.0896] _cell_length_c [5.5701] _...	0.141	0.084	0.0835	0.0813
MP	K3Bi5(PO4)6	data_[K12Bi20P24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Bi 2.0200 1.6000 1.0350 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [17.8397] _cell_length_b [7.05...	4.093	0.003	0.6234	0.0058
MP	Fe2CuAs2(HO5)2	data_[Fe16Cu8As16H16O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Cu 1.9000 1.3500 0.8200 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_lengt...	0.762	0.295	0.2679	0.2063
MP	Al2Te2Cl7	data_[Al8Te8Cl28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Te 2.1000 1.4000 1.2933 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.5507] _cell_length_b [11.4748] _cell_length_c [13.7394...	1.45	0.003	0.3867	0.0058
MP	Gd2Be2SiO7	data_[Gd4Be4Si2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-42_1m] _cell_length_a [7.4064] _cell_length_b [7...	3.315	0.0	0.5721	0.0
MP	Rb2Pd(NO3)4	data_[Rb4Pd2N8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pd 2.2000 1.4000 0.8462 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 [8.0371] _cell_length_b [8.17...	1.829	0.0	0.4356	0.0
MP	BaTm2NiO5	data_[Ba4Tm8Ni4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Tm 1.2500 1.7500 1.0950 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.2447] _cell_length_b [5.6...	1.539	0.004	0.399	0.0073
MP	Cs3NaLi2(BO3)2	data_[Cs6Na2Li4B4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a ...	3.614	0.0	0.593	0.0
MP	K12Mo4S11Cl4O5	data_[K12Mo4S11Cl4O5] 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 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6...	2.397	0.146	0.4959	0.1236
MP	Li12VCo3P4(CO7)4	data_[Li12V1Co3P4C4O28] 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_n...	0.78	0.055	0.2718	0.0585
MP	FeBi25O39	data_[Fe1Bi25O39] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.9700] _cell_length_b [8.9714] _cell_length_c [14.6116] _cel...	2.228	0.025	0.4793	0.0315
MP	Sm4MgPt	data_[Sm64Mg16Pt16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Mg 1.3100 1.5000 0.8600 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [14.1145] _cell_length_b [14.1145] _cell_length_c [14.11...	0.038	0.0	0.0304	0.0
MP	Sm2SiTeO4	data_[Sm8Si4Te4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Si 1.9000 1.1000 0.5400 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.8936] _cell_length_b [6....	1.858	0.007	0.439	0.0115
MP	CdI2	data_[Cd5I10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.3303] _cell_length_b [4.3303] _cell_length_c [37.0530] _cell_angle_alpha [90.0000] _cell_...	2.264	0.0	0.4829	0.0
MP	Nd5As4(ClO4)3	data_[Nd10As8Cl6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 As 2.1800 1.1500 0.6600 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [10.4195] _cell_length_b [5....	3.718	0.0	0.5999	0.0
MP	VFeP2(O4F)2	data_[V1Fe1P2O8F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.11...	1.292	0.04	0.3635	0.0456
MP	Rb2PdCl4	data_[Rb2Pd1Cl4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pd 2.2000 1.4000 0.8462 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [7.3125] _cell_length_b [7.3125] _cell_length_c [4.5029] _...	1.748	0.0	0.4258	0.0
MP	Rb2Fe2(PO4)3	data_[Rb8Fe8P12O48] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [10.0997] _cell_length_b [10....	0.39	0.167	0.1736	0.1366
MP	MoO3	data_[Mo8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [7.4368] _cell_length_b [7.7958] _cell_length_c [10.9064] _cell_angle_alpha [90.0000] _cell...	1.371	0.0	0.3753	0.0
MP	In5AgSe8	data_[In5Ag1Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-42m] _cell_length_a [5.9005] _cell_length_b [5.9005] _cell_length_c [12.0486] _...	0.258	0.002	0.1301	0.0042
MP	Ba3ZnB5PO14	data_[Ba6Zn2B10P2O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Zn 1.6500 1.3500 0.8800 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_...	4.841	0.0	0.665	0.0
MP	V2(OF)3	data_[V6O9F9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1864] _cell_length_b [5.2003] _cell_length_c [13.2488] _cell_angl...	1.548	0.017	0.4002	0.0232
MP	CsNdS2	data_[Cs3Nd3S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Nd 1.1400 1.8500 1.2765 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.2551] _cell_length_b [4.2551] _cell_length_c [24.2855] _cel...	2.15	0.002	0.4712	0.0042
MP	CaBePO4F	data_[Ca4Be4P4O16F4] 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 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 [P2_1/c] _cell_length_a...	6.107	0.006	0.7236	0.0101

MP

Rb3CO3F

data_[Rb18C6O18F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 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 [R-3c] _cell_length_a [7.9887] _cell_length_b [7.9887]...

3.461

0.009

0.5825

0.014

MP

NaH

data_[Na1H1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [2.9551] _cell_length_b [2.9551] _cell_length_c [2.9551] _cell_angle_alpha [90.0000] _cell_an...

1.033

0.157

0.3208

0.1305

MP

YMoN3

data_[Y8Mo8N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.1571] _cell_length_b [9.6101] _cell_length_c [6.2999] _cell...

1.909

0.0

0.4449

0.0

MP

Mn(SbSe2)2

data_[Mn4Sb8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.3092] _cell_length_b [4.0152] _cell_length_c [15.6523] ...

0.393

0.0

0.1745

0.0

MP

Y2Sn2O7

data_[Y16Sn16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.5146] _cell_length_b [10.5146] _cell_length_c [10.5146] ...

2.75

0.0

0.5277

0.0

MP

Sm6Cd(SiS7)2

data_[Sm6Cd1Si2S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Cd 1.6900 1.5500 1.0900 Si 1.9000 1.1000 0.5400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P3] _cell_length_a [10.1775] _cell_length_b [10.17...

1.874

0.0

0.4409

0.0

MP

LiFeP2O7

data_[Li4Fe4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.4564] _cell_length_b [9.3685] ...

2.258

0.037

0.4823

0.0429

MP

NaPO3

data_[Na8P8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [7.7508] _cell_length_b [6.1005] _cell_length_c [13.3929] _ce...

5.158

0.008

0.6809

0.0128

MP

ZrMnTlF7

data_[Zr4Mn4Tl4F28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 Tl 1.6200 1.9000 1.3325 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [6.7857] _cell_length_b [11.2...

2.311

0.0

0.4876

0.0

MP

Zn2As2O7

data_[Zn24As24O84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [20.6017] _cell_length_b [8.5839] _cell_length_c [9.7586] _...

1.777

0.013

0.4294

0.0188

MP

Cr3HgF6

data_[Cr3Hg1F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Hg 2.0000 1.5000 1.2450 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.6599] _cell_length_b [8.9890] _cell_length_c [16.5583] _cell...

1.154

0.9

0.3416

0.4271

MP

PrCl3

data_[Pr2Cl6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [7.5543] _cell_length_b [7.5543] _cell_length_c [4.3114] _cell_angle_alpha [90.0000] _cell...

4.345

0.0

0.6382

0.0

MP

KCr5S8

data_[K2Cr10S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cr 1.6600 1.4000 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [18.0565] _cell_length_b [3.5038] _cell_length_c [8.7175] _cel...

0.237

0.0

0.1224

0.0

MP

Rb2H4Pt

data_[Rb4H8Pt2] 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 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [5.9626] _cell_length_b [5.9626] _cell_length_c [8.4180] _...

3.288

0.0

0.5701

0.0

MP

Fe7(OF7)2

data_[Fe7O2F14] 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 [P-1] _cell_length_a [4.8473] _cell_length_b [6.0721] _cell_length_c [10.3942] _cell_...

1.056

0.086

0.3249

0.0827

MP

Na9Cr2(H9O7)3

data_[Na18Cr4H54O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cr 1.6600 1.4000 0.9400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.8056] _cell_length_b [11.50...

3.309

0.014

0.5716

0.0199

MP

Tb3Ga2

data_[Tb48Ga32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [11.6735] _cell_length_b [11.6735] _cell_length_c [15.0120] _cell_angle_alpha [90.0000] ...

0.017

0.0

0.0161

0.0

MP

Na3GdTi2Nb2O12

data_[Na3Gd1Ti2Nb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Gd 1.2000 1.8000 1.0750 Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...

2.437

0.013

0.4997

0.0188

MP

Ba2CaWO6

data_[Ba4Ca2W2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ca 1.0000 1.8000 1.1400 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.4290] _cell_length_b [6.019...

3.291

0.0

0.5703

0.0

MP

Pr3TaO7

data_[Pr12Ta4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [11.1026] _cell_length_b [7.6189] _cell_length_c [7.7688] _c...

3.418

0.0

0.5795

0.0

MP

InSbO4

data_[In4Sb4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.6317] _cell_length_b [5.3019] _cell_length_c [7.5277] _c...

0.941

0.0

0.3039

0.0

MP

AlSb5Se5Cl4

data_[Al2Sb10Se10Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.7019] _cell_length_b [9....

1.396

0.0

0.379

0.0

MP

SrLi(B3O5)3

data_[Sr6Li6B54O90] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3c] _cell_length_a [10.8196] _cell_length_b [10.81...

5.753

0.0

0.7084

0.0

MP

Ca3Ti2O7

data_[Ca12Ti8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [19.4756] _cell_length_b [5.4630] _cell_length_c [5.5373] ...

2.53

0.003

0.5083

0.0058

MP

Ga2HgO4

data_[Ga16Hg8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Hg 2.0000 1.5000 1.2450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [8.8363] _cell_length_b [8.8363] _cell_length_c [8.8363] _c...

0.564

0.034

0.2218

0.0402

MP

Sc2InHg

data_[Sc4In2Hg2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 In 1.7800 1.5500 0.9400 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.8012] _cell_length_b [12.1600] _cell_length_c [17.3493] ...

0.011

2.278

0.0114

0.6985

MP

AsRhSe

data_[As4Rh4Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 Rh 2.2800 1.3500 0.7450 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [6.0129] _cell_length_b [6.0129] _cell_length_c [6.0129] _c...

0.914

0.0

0.2988

0.0

MP

SiO2

data_[Si28O56] 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 [C2/m] _cell_length_a [25.9561] _cell_length_b [5.2802] _cell_length_c [12.2570] _cell_angle_alpha [90.0000] _cell...

5.505

0.017

0.6973

0.0232

MP

Ba38Na58Li26H

data_[Ba152Na232Li104H4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [27.4109] _cell_length_...

0.061

0.018

0.044

0.0243

MP

Na7NbO6

data_[Na21Nb3O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [6.4791] _cell_length_b [6.4791] _cell_length_c [15.7155] _cel...

2.746

0.093

0.5274

0.0879

MP

BaAl4Se7

data_[Ba2Al8Se14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Al 1.6100 1.2500 0.6750 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [7.7227] _cell_length_b [6.6252] _cell_length_c [14.9144] _ce...

2.393

0.019

0.4955

0.0254

MP

CsIn3O5

data_[Cs4In12O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [10.2974] _cell_length_b [3.4007] _cell_length_c [16.7937] _...

1.47

0.0

0.3895

0.0

MP

LiSn6P7O24

data_[Li2Sn12P14O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.2706] _cell_length_b [27...

2.679

0.06

0.5216

0.0626

MP

SrTcN3

data_[Sr8Tc8N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Tc 1.9000 1.3500 0.7417 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.9544] _cell_length_b [10.5385] _cell_length_c [6.1805] _c...

1.582

0.0

0.4047

0.0

MP

ScTlO3

data_[Sc4Tl4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.6815] _cell_length_b [8.1778] _cell_length_c [5.5182] _cel...

1.289

0.079

0.363

0.0775

MP

Cs2(CoN8)3

data_[Cs4Co6N48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Co 1.8800 1.3500 0.7683 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.2761] _cell_length_b [5.7218] _cell_length_c [16.2199] ...

0.07

0.43

0.0489

0.2675

MP

KRb2ScF6

data_[K2Rb4Sc2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 Sc 1.3600 1.6000 0.8850 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [6.4170] _cell_length_b [6.4170...

6.518

0.002

0.7401

0.0042

MP

Li7NbN4

data_[Li56Nb8N32] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [9.8597] _cell_length_b [9.8597] _cell_length_c [9.8597] _ce...

3.396

0.0

0.5779

0.0

MP

BaCaI4

data_[Ba2Ca2I8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ca 1.0000 1.8000 1.1400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [8.0372] _cell_length_b [8.3405] _cell_length_c [8.3270] _cell...

3.787

0.028

0.6044

0.0345

MP

TeMoSe

data_[Te2Mo2Se2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.4386] _cell_length_b [3.4386] _cell_length_c [24.3653] _c...

0.467

0.029

0.196

0.0354

MP

Li5Ti3V2(PO4)6

data_[Li5Ti3V2P6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8....

0.083

0.107

0.0558

0.0978

MP

LiNiPO4

data_[Li8Ni8P8O32] 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 [Pbca] _cell_length_a [5.7528] _cell_length_b [7.4674...

3.264

0.062

0.5684

0.0643

MP

CaLaTiMnO6

data_[Ca2La2Ti2Mn2O12] 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 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 [Pc] _cell_length_a...

0.249

0.092

0.1268

0.0871

MP

K2YF5

data_[K8Y4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Y 1.2200 1.8000 1.0400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [10.9994] _cell_length_b [7.3466] _cell_length_c [6.7100] _cell_a...

6.81

0.0

0.7513

0.0

MP

Dy4Al2O9

data_[Dy16Al8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.4496] _cell_length_b [10.5917] _cell_length_c [11.1928]...

4.006

0.014

0.6181

0.0199

MP

Li4Mo3O8

data_[Li24Mo18O48] 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 [R-3m] _cell_length_a [5.8305] _cell_length_b [5.8305] _cell_length_c [32.4944] _...

0.002

0.084

0.0029

0.0813

MP

Li5Co9(P2O7)8

data_[Li5Co9P16O56] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.6233] _cell_length_b [10.7107...

0.001

0.078

0.0017

0.0768

MP

LaRhO3

data_[La4Rh4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.8786] _cell_length_b [7.9454] _cell_length_c [5.5213] _cel...

0.594

0.0

0.2293

0.0

MP

NaHo9(Si3O13)2

data_[Na1Ho9Si6O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ho 1.2300 1.7500 1.0410 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3] _cell_length_a [9.4175] _cell_length_b [9.4175...

4.38

0.0

0.6401

0.0

MP

Sr3(GaO3)2

data_[Sr72Ga48O144] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [16.3048] _cell_length_b [16.3048] _cell_length_c [16.3048...

3.5

0.002

0.5852

0.0042

MP

VAg2HgO4

data_[V16Ag32Hg16O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Ag 1.9300 1.6000 1.0867 Hg 2.0000 1.5000 1.2450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [12.9823] _cell_length_b [1...

0.741

0.031

0.2634

0.0374

MP

NdVO3

data_[Nd4V4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.7456] _cell_length_b [7.8438] _cell_length_c [5.4916] _cell_...

1.034

0.0

0.321

0.0

MP

Ca2FeCuSO3

data_[Ca4Fe2Cu2S2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Fe 1.8300 1.4000 0.8525 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_...

0.676

0.067

0.2488

0.0682

MP

V4ZnCu3O14

data_[V4Zn1Cu3O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Zn 1.6500 1.3500 0.8800 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.6174] _cell_length_b [5.6749] ...

0.326

0.004

0.1534

0.0073

MP

K2P2H2O7

data_[K12P12H12O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.8956] _cell_length_b [17.66...

5.085

0.044

0.6774

0.0492

MP

In10(Pb2S7)3

data_[In10Pb6S21] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.9057] _cell_length_b [14.1317] _cell_length_c [15.9222] _ce...

1.185

0.001

0.3466

0.0024

MP

LiMn2O4

data_[Li6Mn12O24] 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 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.8950] _cell_length_b [5.8950] _cell_length_c [14.5965] _ce...

0.31

0.046

0.1481

0.0509

MP

RbDyS2

data_[Rb3Dy3S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Dy 1.2200 1.7500 1.1310 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.0818] _cell_length_b [4.0818] _cell_length_c [23.0435] _cel...

2.322

0.0

0.4886

0.0

MP

B8O

data_[B48O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [8.7975] _cell_length_b [5.3177] _cell_length_c [9.1459] _cell_angle_alpha [90.0000] _cell_angle_...

0.0

0.022

0.0

0.0285

MP

Bi2B3HO8

data_[Bi16B24H8O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 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 [Pbca] _cell_length_a [6.1060] _cell_length_b [11.554...

3.225

0.007

0.5655

0.0115

MP

KAuF6

data_[K3Au3F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Au 2.5400 1.3500 1.0700 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.8431] _cell_length_b [7.8431] _cell_length_c [7.4836] _cell_...

2.112

0.0

0.4673

0.0

MP

NaLa2Ti2MnO9

data_[Na2La4Ti4Mn2O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 La 1.1000 1.9500 1.1720 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_a...

0.125

0.07

0.0763

0.0706

MP

Li5Mn5(SeO3)8

data_[Li5Mn5Se8O24] 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 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.6672] _cell_length_b [8.5217...

0.868

0.0

0.2898

0.0

MP

SiMoP3O11

data_[Si12Mo12P36O132] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 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 [R-3c] _cell_length_a [8.6353] _cell_length_b [8....

4.363

0.0

0.6392

0.0

MP

NaClO2

data_[Na2Cl2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [4.8534] _cell_length_b [6.4491] _cell_length_c [6.7337] _cell_a...

2.37

0.376

0.4933

0.2442

MP

Li4H6Os

data_[Li24H36Os6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 H 2.2000 0.2500 0.0000 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [8.2764] _cell_length_b [8.2764] _cell_length_c [10.1958] _c...

2.691

0.0

0.5226

0.0

MP

Tm4MgS7

data_[Tm8Mg2S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Mg 1.3100 1.5000 0.8600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [12.4789] _cell_length_b [3.7588] _cell_length_c [11.3844] _cel...

1.102

0.035

0.3328

0.0411

MP

Nd2Ti12(CuO4)9

data_[Nd2Ti12Cu9O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ti 1.5400 1.4000 0.8517 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [10.5368] _cell_length_b [10....

0.09

0.052

0.0594

0.056

MP

Ba2SmMoO6

data_[Ba4Sm2Mo2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sm 1.1700 1.8500 1.2290 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [6.1266] _cell_length_b [6.12...

0.909

0.0

0.2978

0.0

MP

Li2ZnGeO4

data_[Li4Zn2Ge2O8] 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 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [5.1223] _cell_length_b [5.5012]...

3.105

0.0

0.5564

0.0

MP

InP

data_[In2P2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [4.2105] _cell_length_b [4.2105] _cell_length_c [6.9022] _cell_angle_alpha [90.0000] _cell_a...

0.528

0.004

0.2125

0.0073

MP

NaAg(CO2)2

data_[Na2Ag2C4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ag 1.9300 1.6000 1.0867 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [3.6338] _cell_length_b [5.1724]...

2.539

0.135

0.5091

0.1166

MP

YAuO2

data_[Y2Au2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Au 2.5400 1.3500 1.0700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.5947] _cell_length_b [3.5947] _cell_length_c [12.1938] _c...

2.686

0.002

0.5222

0.0042

MP

WCl2

data_[W24Cl48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ W 2.3600 1.3500 0.7667 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [14.4253] _cell_length_b [11.4947] _cell_length_c [11.5166] _cell_angle_alpha [90.0000] _cel...

2.822

0.0

0.5338

0.0

MP

NaUBO5

data_[Na4U4B4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 U 1.3800 1.7500 0.9913 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [5.9279] _cell_length_b [10.8206]...

1.93

0.0

0.4473

0.0

MP

Cs2TlSbBr6

data_[Cs8Tl4Sb4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Tl 1.6200 1.9000 1.3325 Sb 2.0500 1.4500 0.8300 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.9695] _cell_length_b [...

1.229

0.015

0.3537

0.021

MP

LiDySe2

data_[Li1Dy1Se2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Dy 1.2200 1.7500 1.1310 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.0896] _cell_length_b [4.0896] _cell_length_c [5.5701] _...

0.141

0.084

0.0835

0.0813

MP

K3Bi5(PO4)6

data_[K12Bi20P24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Bi 2.0200 1.6000 1.0350 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [17.8397] _cell_length_b [7.05...

4.093

0.003

0.6234

0.0058

MP

Fe2CuAs2(HO5)2

data_[Fe16Cu8As16H16O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Cu 1.9000 1.3500 0.8200 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_lengt...

0.762

0.295

0.2679

0.2063

MP

Al2Te2Cl7

data_[Al8Te8Cl28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Te 2.1000 1.4000 1.2933 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.5507] _cell_length_b [11.4748] _cell_length_c [13.7394...

1.45

0.003

0.3867

0.0058

MP

Gd2Be2SiO7

data_[Gd4Be4Si2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-42_1m] _cell_length_a [7.4064] _cell_length_b [7...

3.315

0.0

0.5721

0.0

MP

Rb2Pd(NO3)4

data_[Rb4Pd2N8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pd 2.2000 1.4000 0.8462 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 [8.0371] _cell_length_b [8.17...

1.829

0.0

0.4356

0.0

MP

BaTm2NiO5

data_[Ba4Tm8Ni4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Tm 1.2500 1.7500 1.0950 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.2447] _cell_length_b [5.6...

1.539

0.004

0.399

0.0073

MP

Cs3NaLi2(BO3)2

data_[Cs6Na2Li4B4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a ...

3.614

0.0

0.593

0.0

MP

K12Mo4S11Cl4O5

data_[K12Mo4S11Cl4O5] 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 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6...

2.397

0.146

0.4959

0.1236

MP

Li12VCo3P4(CO7)4

data_[Li12V1Co3P4C4O28] 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_n...

0.78

0.055

0.2718

0.0585

MP

FeBi25O39

data_[Fe1Bi25O39] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.9700] _cell_length_b [8.9714] _cell_length_c [14.6116] _cel...

2.228

0.025

0.4793

0.0315

MP

Sm4MgPt

data_[Sm64Mg16Pt16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Mg 1.3100 1.5000 0.8600 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [14.1145] _cell_length_b [14.1145] _cell_length_c [14.11...

0.038

0.0

0.0304

0.0

MP

Sm2SiTeO4

data_[Sm8Si4Te4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Si 1.9000 1.1000 0.5400 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.8936] _cell_length_b [6....

1.858

0.007

0.439

0.0115

MP

CdI2

data_[Cd5I10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.3303] _cell_length_b [4.3303] _cell_length_c [37.0530] _cell_angle_alpha [90.0000] _cell_...

2.264

0.0

0.4829

0.0

MP

Nd5As4(ClO4)3

data_[Nd10As8Cl6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 As 2.1800 1.1500 0.6600 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [10.4195] _cell_length_b [5....

3.718

0.0

0.5999

0.0

MP

VFeP2(O4F)2

data_[V1Fe1P2O8F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.11...

1.292

0.04

0.3635

0.0456

MP

Rb2PdCl4

data_[Rb2Pd1Cl4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pd 2.2000 1.4000 0.8462 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [7.3125] _cell_length_b [7.3125] _cell_length_c [4.5029] _...

1.748

0.0

0.4258

0.0

MP

Rb2Fe2(PO4)3

data_[Rb8Fe8P12O48] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [10.0997] _cell_length_b [10....

0.39

0.167

0.1736

0.1366

MP

MoO3

data_[Mo8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [7.4368] _cell_length_b [7.7958] _cell_length_c [10.9064] _cell_angle_alpha [90.0000] _cell...

1.371

0.0

0.3753

0.0

MP

In5AgSe8

data_[In5Ag1Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-42m] _cell_length_a [5.9005] _cell_length_b [5.9005] _cell_length_c [12.0486] _...

0.258

0.002

0.1301

0.0042

MP

Ba3ZnB5PO14

data_[Ba6Zn2B10P2O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Zn 1.6500 1.3500 0.8800 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_...

4.841

0.0

0.665

0.0

MP

V2(OF)3

data_[V6O9F9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1864] _cell_length_b [5.2003] _cell_length_c [13.2488] _cell_angl...

1.548

0.017

0.4002

0.0232

MP

CsNdS2

data_[Cs3Nd3S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Nd 1.1400 1.8500 1.2765 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.2551] _cell_length_b [4.2551] _cell_length_c [24.2855] _cel...

2.15

0.002

0.4712

0.0042

MP

CaBePO4F

data_[Ca4Be4P4O16F4] 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 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 [P2_1/c] _cell_length_a...

6.107

0.006

0.7236

0.0101