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	Li3V4P2O8F9	data_[Li6V8P4O16F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a ...	1.986	0.095	0.4536	0.0893
MP	Mg3P2(HO)16	data_[Mg6P4H32O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.1661] _cell_length_b [13.434...	5.206	0.018	0.6833	0.0243
MP	Li2PbO3	data_[Li16Pb8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.6779] _cell_length_b [9.6618] _cell_length_c [7.0993] _ce...	0.152	0.218	0.0883	0.1661
MP	RbNb(BO3)2	data_[Rb10Nb10B20O60] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [7.5218] _cell_length_b [20.22...	3.453	0.0	0.5819	0.0
MP	K3Bi2(NO3)9	data_[K12Bi8N36O108] 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 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_332] _cell_length_a [13.7058] _cell_length_b [13...	3.663	0.0	0.5962	0.0
MP	Mn(SbS2)2	data_[Mn4Sb8S16] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.6778] _cell_length_b [3.8294] _cell_length_c [15.5028] _c...	0.656	0.013	0.2442	0.0188
MP	Rb4CO4	data_[Rb8C2O8] 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 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [11.4441] _cell_length_b [5.9742] _cell_length_c [6.1113] _cell_an...	1.439	0.204	0.3851	0.1583
MP	Be2CoAu	data_[Be4Co2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Co 1.8800 1.3500 0.7683 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [8.7283] _cell_length_b [10.2572] _cell_length_c [14.5157] _...	0.732	2.236	0.2614	0.6925
MP	CaAlSiO5	data_[Ca4Al4Si4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [6.4303] _cell_length_b [8.68...	0.32	0.062	0.1514	0.0643
MP	Cs2ICl6F	data_[Cs8I4Cl24F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 I 2.6600 1.4000 1.2733 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.6716] _cell_length_b [10.6...	1.126	0.0	0.3369	0.0
MP	LaOF	data_[La2O2F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.0918] _cell_length_b [4.0918] _cell_length_c [5.8572] _cell...	4.569	0.0	0.6506	0.0
MP	Li3Fe(PO4)2	data_[Li6Fe2P4O16] 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 [P2_1/c] _cell_length_a [4.9217] _cell_length_b [8.83...	2.27	0.039	0.4835	0.0447
MP	Li2Mn3OF6	data_[Li8Mn12O4F24] 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 [5.1610] _cell_length_b [10.8329...	1.718	0.086	0.4221	0.0827
MP	ZrP2(HO3)2	data_[Zr1P2H2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [5.5171] _cell_length_b [5.5171] _c...	4.131	0.003	0.6257	0.0058
MP	K4V2O7	data_[K8V4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.5057] _cell_length_b [6.3437] _cell_length_c [7.3767] _cell_a...	3.441	0.0	0.5811	0.0
MP	H8W(S2N)2	data_[H32W4S16N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.7830] _cell_length_b [7.1258] _...	2.166	0.0	0.4729	0.0
MP	LaMnO3	data_[La4Mn4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.5652] _cell_length_b [8.0317] _cell_length_c [5.5635] _cel...	1.101	0.168	0.3327	0.1372
MP	MnC5BrO5	data_[Mn4C20Br4O20] 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 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.8418] _cell_length_b [11.4...	2.804	0.507	0.5323	0.2985
MP	Lu(HO)3	data_[Lu4H12O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.2968] _cell_length_b [10.1112] _cell_length_c [6.1674] _c...	4.343	0.058	0.638	0.061
MP	PH8N4Cl	data_[P4H32N16Cl4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [4.7868] _cell_length_b [16.5378...	4.765	0.005	0.6611	0.0088
MP	BaAgSF	data_[Ba2Ag2S2F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.3044] _cell_length_b [4.304...	1.432	0.0	0.3841	0.0
MP	KP2H5O8	data_[K4P8H20O32] 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/c] _cell_length_a [7.9360] _cell_length_b [10.8711...	5.619	0.0	0.7025	0.0
MP	Os(OF)2	data_[Os2O4F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 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 [5.7677] _cell_length_b [5.7957] _cell_length_c [6.7963] _cell_an...	0.958	0.895	0.3071	0.4257
MP	VCu3(SeS)2	data_[V2Cu6Se4S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cmm2] _cell_length_a [7.7117] _cell_length_b [7.8677]...	0.891	0.0	0.2943	0.0
MP	V2Bi24O41	data_[V2Bi24O41] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P222] _cell_length_a [10.3521] _cell_length_b [10.3552] _cell_length_c [10.4441] _c...	1.805	0.008	0.4327	0.0128
MP	TeP4H26(NO5)4	data_[Te2P8H52N8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 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_name_H-M [P2_1/c] _cell_length_a ...	3.539	0.034	0.5879	0.0402
MP	TaNb2W	data_[Ta2Nb4W2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.3693] _cell_length_b [11.1757] _cell_length_c [15.7064] _ce...	0.027	4.923	0.0232	0.9653
MP	V2OF5	data_[V6O3F15] 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 [P3_1] _cell_length_a [5.3009] _cell_length_b [5.3009] _cell_length_c [13.4958] _cell_a...	1.88	0.002	0.4416	0.0042
MP	CsEuAsS3	data_[Cs4Eu4As4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Eu 1.2000 1.8500 1.1985 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.6295] _cell_length_b [8....	0.536	0.0	0.2146	0.0
MP	Rb2U(SiO3)4	data_[Rb4U2Si8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 U 1.3800 1.7500 0.9913 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9162] _cell_length_b [8.4945]...	2.449	0.0	0.5008	0.0
MP	MgMn2O4	data_[Mg4Mn8O16] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [3.2135] _cell_length_b [8.9605] _cell_length_c [10.8826] _...	0.844	0.095	0.285	0.0893
MP	RbTaO3	data_[Rb3Ta3O9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.7819] _cell_length_b [5.7819] _cell_length_c [7.0975] _cell_...	2.511	0.053	0.5066	0.0569
MP	TaTlPt	data_[Ta4Tl4Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.3257] _cell_length_b [6.3257] _cell_length_c [6.3257] _c...	0.966	0.336	0.3086	0.226
MP	Ba3LiTi5Nb3O21	data_[Ba12Li4Ti20Nb12O84] 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 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 [Cmc2_1] _cell_l...	2.123	0.011	0.4684	0.0164
MP	Zn3GaB6PO12	data_[Zn9Ga3B18P3O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ga 1.8100 1.3000 0.7600 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 [R3m] _cell_length_a [...	4.201	0.0	0.6298	0.0
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 [P2_1/c] _cell_length_a [5.6198] _cell_length_b [10.5...	3.27	0.06	0.5688	0.0626
MP	KVH2SeO7	data_[K4V4H8Se4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [...	2.591	0.027	0.5138	0.0335
MP	Ta2O5	data_[Ta12O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [12.7679] _cell_length_b [7.0739] _cell_length_c [7.2319] _cell_angle_alpha [90.0000] _cell_an...	3.073	0.058	0.5539	0.061
MP	P2Ir	data_[P8Ir4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.7954] _cell_length_b [5.8377] _cell_length_c [5.9007] _cell_angle_alpha [90.0000] _cell_a...	0.633	0.0	0.2387	0.0
MP	Zn4GeN4	data_[Zn16Ge4N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [5.3007] _cell_length_b [11.0891] _cell_length_c [8.0463] _c...	0.155	0.148	0.0896	0.1249
MP	Na2(ReS2)3	data_[Na16Re24S48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Re 1.9000 1.3500 0.7125 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.0646] _cell_length_b [9.7355] _cell_length_c [11.6542] ...	1.511	0.0	0.3952	0.0
MP	Na2SO4	data_[Na8S4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.7103] _cell_length_b [9.0605] _cell_length_c [7.0275] _cell_...	4.971	0.004	0.6717	0.0073
MP	Na7Fe4(AsO4)6	data_[Na42Fe24As36O144] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Fe 1.8300 1.4000 0.8525 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [14.0467] _cell_length_b ...	0.576	0.015	0.2248	0.021
MP	AlWF5	data_[Al2W2F10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 W 2.3600 1.3500 0.7667 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.8066] _cell_length_b [6.5695] _cell_length_c [7.8935] _cell_...	0.522	0.357	0.2109	0.2357
MP	Na3Fe2(PO4)3	data_[Na12Fe8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Fe 1.8300 1.4000 0.8525 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 [8.8524] _cell_length_b [9....	2.184	0.041	0.4748	0.0465
MP	SnO2	data_[Sn4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [4.0572] _cell_length_b [4.0572] _cell_length_c [10.3560] _cell_angle_alpha [90.0000] _cel...	1.308	0.087	0.3659	0.0835
MP	Pd(Se3Br)2	data_[Pd1Se6Br2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pd 2.2000 1.4000 0.8462 Se 2.5500 1.1500 1.0133 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.8452] _cell_length_b [7.8062] _cell_length_c [8.2000] _cel...	0.934	0.003	0.3026	0.0058
MP	Li5MnO3F2	data_[Li10Mn2O6F4] 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 [C2/m] _cell_length_a [9.5346] _cell_length_b [3.9501...	1.437	0.054	0.3848	0.0577
MP	K6Sn25	data_[K24Sn100] 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 ] _symmetry_space_group_name_H-M [P4_332] _cell_length_a [16.6123] _cell_length_b [16.6123] _cell_length_c [16.6123] _cell_angle_alpha [90.0000] _...	0.02	0.005	0.0183	0.0088
MP	Li8PtO6	data_[Li24Pt3O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.4875] _cell_length_b [5.4875] _cell_length_c [15.1618] _ce...	2.161	0.0	0.4724	0.0
MP	CrO2	data_[Cr4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [4.3202] _cell_length_b [5.5028] _cell_length_c [5.0226] _cell_angle_alpha [90.0000] _cell_ang...	0.274	0.036	0.1358	0.042
MP	Li12Cr3CoP4(CO7)4	data_[Li12Cr3Co1P4C4O28] 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 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...	1.551	0.074	0.4006	0.0737
MP	CsU2F9	data_[Cs4U8F36] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [15.7098] _cell_length_b [7.1188] _cell_length_c [8.7496] _cell_a...	0.178	0.0	0.0993	0.0
MP	Li2Cr3FeO8	data_[Li4Cr6Fe2O16] 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 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.2956] _cell_length_b [5.8...	0.391	0.098	0.1739	0.0914
MP	Ca2SnS4	data_[Ca16Sn8S32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [16.8075] _cell_length_b [7.1708] _cell_length_c [11.7826]...	2.026	0.113	0.458	0.1019
MP	Li2TiO3	data_[Li16Ti8O24] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [5.1000] _cell_length_b [8.8527] _cell_length_c [9.8346] _ce...	3.034	0.0	0.5509	0.0
MP	LiMn2O4	data_[Li4Mn8O16] 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 [P6_3mc] _cell_length_a [5.8660] _cell_length_b [5.8660] _cell_length_c [9.7639] _c...	0.079	0.027	0.0537	0.0335
MP	Sb3IO4	data_[Sb24I8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [19.2914] _cell_length_b [4.6362] _cell_length_c [16.0851] _...	2.535	0.0	0.5088	0.0
MP	Li4Fe2Ni3Sn(PO4)6	data_[Li4Fe2Ni3Sn1P6O24] 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 Ni 1.9100 1.3500 0.7400 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_grou...	3.054	0.082	0.5525	0.0798
MP	Ca2WO5	data_[Ca8W4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pnma] _cell_length_a [7.3145] _cell_length_b [5.4665] _cell_length_c [10.7210] _cell...	3.138	0.059	0.5589	0.0618
MP	SbH3NF6	data_[Sb8H24N8F48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.5479] _cell_length_b [12.4161...	4.697	0.019	0.6575	0.0254
MP	LiFe2P2HO8	data_[Li2Fe4P4H2O16] 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 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [...	3.767	0.035	0.6031	0.0411
MP	BaN6O	data_[Ba4N24O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [6.8424] _cell_length_b [11.6075] _cell_length_c [7.0938] _cell_a...	0.023	0.743	0.0205	0.3805
MP	KH8O4F	data_[K4H32O16F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.8275] _cell_length_b [13.3179...	5.438	0.008	0.6942	0.0128
MP	Li19Mn4P8O35F	data_[Li19Mn4P8O35F1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6...	0.48	0.06	0.1996	0.0626
MP	FeCuO2	data_[Fe3Cu3O6] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.0709] _cell_length_b [3.0709] _cell_length_c [17.2513] _cel...	0.804	0.0	0.2768	0.0
MP	Ho2TeO6	data_[Ho6Te3O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [9.1572] _cell_length_b [9.1572] _cell_length_c [5.1841] _cel...	3.103	0.009	0.5563	0.014
MP	KLi2As	data_[K2Li4As2] 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 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [4.4766] _cell_length_b [6.7128] _cell_length_c [6.3548] _cell...	0.688	0.0	0.2516	0.0
MP	Y2Pt2O7	data_[Y16Pt16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.3013] _cell_length_b [10.3013] _cell_length_c [10.3013] ...	1.421	0.0	0.3826	0.0
MP	CaSiO3	data_[Ca4Si4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.1017] _cell_length_b [7.2064] _cell_length_c [5.1157] _cel...	3.718	0.241	0.5999	0.1786
MP	Ba2CdAg	data_[Ba4Cd2Ag2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Cd 1.6900 1.5500 1.0900 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [13.9222] _cell_length_b [14.2575] _cell_length_c [19.6575] ...	0.321	1.365	0.1518	0.5401
MP	LuAlO3	data_[Lu6Al6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [5.2556] _cell_length_b [5.2556] _cell_length_c [12.6035] _ce...	0.0	0.082	0.0	0.0798
MP	RbNiCl3	data_[Rb2Ni2Cl6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ni 1.9100 1.3500 0.7400 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [7.0562] _cell_length_b [7.0562] _cell_length_c [5.9436]...	0.709	0.0	0.2563	0.0
MP	Ce(WO4)2	data_[Ce4W8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [9.6815] _cell_length_b [9.6815] _cell_length_c [9.6815] _cell...	1.72	0.103	0.4224	0.095
MP	Li4Cr3GaO8	data_[Li8Cr6Ga2O16] 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 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.1387] _cell_length_b [5.928...	3.081	0.022	0.5546	0.0285
MP	TaCuN2	data_[Ta3Cu3N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cu 1.9000 1.3500 0.8200 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.1549] _cell_length_b [3.1549] _cell_length_c [15.1036] _cel...	0.373	0.388	0.1684	0.2495
MP	Cd3(CuP5)2	data_[Cd9Cu6P30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [7.4867] _cell_length_b [7.4867] _cell_length_c [18.2743] _cel...	1.263	0.0	0.359	0.0
MP	La3CoW(SO2)3	data_[La6Co2W2S6O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Co 1.8800 1.3500 0.7683 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a...	1.131	0.112	0.3377	0.1012
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 [Pnma] _cell_length_a [8.0606] _cell_length_b [11.1551] _cell_length_c [7.7822] _ce...	4.575	0.005	0.651	0.0088
MP	KSnF3	data_[K8Sn8F24] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.2296] _cell_length_b [10.2042] _cell_length_c [10.5017] _cell...	3.511	0.0	0.5859	0.0
MP	Ba3CaTiWO9	data_[Ba6Ca2Ti2W2O18] 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 Ti 1.5400 1.4000 0.8517 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length...	3.146	0.017	0.5595	0.0232
MP	Ba7SiB3NO13	data_[Ba14Si2B6N2O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Si 1.9000 1.1000 0.5400 B 2.0400 0.8500 0.4100 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a ...	0.621	0.123	0.2359	0.1087
MP	MgH22SO15	data_[Mg2H44S2O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 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 [6.7821] _cell_length_b [6.8781] ...	5.024	0.01	0.6743	0.0152
MP	Sb2O3	data_[Sb16O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [7.6134] _cell_length_b [7.7772] _cell_length_c [12.0679] _cell_angle_alpha [90.0000] ...	2.337	0.032	0.4901	0.0383
MP	CoN12	data_[Co2N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.0875] _cell_length_b [7.8931] _cell_length_c [9.9938] _cell_angle_alpha [69.2869] _cell_ang...	0.328	1.578	0.1541	0.583
MP	Na2Ca3(Si3O8)2	data_[Na4Ca6Si12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.3047] _cell_length_b [10.2...	4.304	0.002	0.6358	0.0042
MP	MnVBiO5	data_[Mn2V2Bi2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.4663] _cell_length_b [7.0505]...	1.971	0.0	0.4519	0.0
MP	Na3Zn4P3O19	data_[Na18Zn24P18O114] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zn 1.6500 1.3500 0.8800 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3c] _cell_length_a [10.9572] _cell_length_b [10...	0.071	0.264	0.0495	0.1907
MP	V5O12	data_[V5O12] 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 [4.9654] _cell_length_b [5.3289] _cell_length_c [7.4963] _cell_angle_alpha [83.2832] _cell_angle_...	1.195	0.078	0.3483	0.0768
MP	BaTl(PO3)3	data_[Ba4Tl4P12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Tl 1.6200 1.9000 1.3325 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [6.3058] _cell_length_b ...	4.86	0.002	0.666	0.0042
MP	Mg2AlO6	data_[Mg2Al1O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.3739] _cell_length_b [5.3770] _cell_length_c [10.4202] _cell...	0.161	0.493	0.0922	0.293
MP	B10(Pb2O7)3	data_[B10Pb6O21] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9534] _cell_length_b [7.1045] _cell_length_c [11.4052] _cell...	3.259	0.0	0.568	0.0
MP	Bi2TeSe2	data_[Bi6Te3Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.2794] _cell_length_b [4.2794] _cell_length_c [30.4100] _ce...	0.438	0.001	0.1878	0.0024
MP	Te3As2S(OF6)2	data_[Te12As8S4O8F48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [...	2.033	0.132	0.4588	0.1146
MP	In3Ru	data_[In12Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P-4n2] _cell_length_a [7.0922] _cell_length_b [7.0922] _cell_length_c [7.3555] _cell_angle_alpha [90.0000] _cell...	0.21	0.0	0.1121	0.0
MP	Tb3NbO7	data_[Tb12Nb4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [10.6346] _cell_length_b [7.3910] _cell_length_c [7.5775] _c...	2.704	0.039	0.5238	0.0447
MP	Li3FeO3	data_[Li12Fe4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.4153] _cell_length_b [11.2762] _cell_length_c [5.7241] ...	2.343	0.069	0.4907	0.0698
MP	NaNpCO5	data_[Na2Np2C2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Np 1.3600 1.7500 1.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [4.9268] _cell_length_b [4.39...	0.038	0.0	0.0304	0.0
MP	Rb5GeP3	data_[Rb20Ge4P12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ge 2.0100 1.2500 0.7700 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [15.7133] _cell_length_b [5.4934] _cell_length_c [14.9809] _...	0.849	0.0	0.286	0.0
MP	Mg2CdAu	data_[Mg4Cd2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Cd 1.6900 1.5500 1.0900 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.0336] _cell_length_b [11.9075] _cell_length_c [16.8238] ...	0.008	1.129	0.0088	0.4866

MP

Li3V4P2O8F9

data_[Li6V8P4O16F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a ...

1.986

0.095

0.4536

0.0893

MP

Mg3P2(HO)16

data_[Mg6P4H32O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.1661] _cell_length_b [13.434...

5.206

0.018

0.6833

0.0243

MP

Li2PbO3

data_[Li16Pb8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.6779] _cell_length_b [9.6618] _cell_length_c [7.0993] _ce...

0.152

0.218

0.0883

0.1661

MP

RbNb(BO3)2

data_[Rb10Nb10B20O60] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [7.5218] _cell_length_b [20.22...

3.453

0.0

0.5819

0.0

MP

K3Bi2(NO3)9

data_[K12Bi8N36O108] 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 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_332] _cell_length_a [13.7058] _cell_length_b [13...

3.663

0.0

0.5962

0.0

MP

Mn(SbS2)2

data_[Mn4Sb8S16] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.6778] _cell_length_b [3.8294] _cell_length_c [15.5028] _c...

0.656

0.013

0.2442

0.0188

MP

Rb4CO4

data_[Rb8C2O8] 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 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [11.4441] _cell_length_b [5.9742] _cell_length_c [6.1113] _cell_an...

1.439

0.204

0.3851

0.1583

MP

Be2CoAu

data_[Be4Co2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Co 1.8800 1.3500 0.7683 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [8.7283] _cell_length_b [10.2572] _cell_length_c [14.5157] _...

0.732

2.236

0.2614

0.6925

MP

CaAlSiO5

data_[Ca4Al4Si4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [6.4303] _cell_length_b [8.68...

0.32

0.062

0.1514

0.0643

MP

Cs2ICl6F

data_[Cs8I4Cl24F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 I 2.6600 1.4000 1.2733 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.6716] _cell_length_b [10.6...

1.126

0.0

0.3369

0.0

MP

LaOF

data_[La2O2F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.0918] _cell_length_b [4.0918] _cell_length_c [5.8572] _cell...

4.569

0.0

0.6506

0.0

MP

Li3Fe(PO4)2

data_[Li6Fe2P4O16] 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 [P2_1/c] _cell_length_a [4.9217] _cell_length_b [8.83...

2.27

0.039

0.4835

0.0447

MP

Li2Mn3OF6

data_[Li8Mn12O4F24] 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 [5.1610] _cell_length_b [10.8329...

1.718

0.086

0.4221

0.0827

MP

ZrP2(HO3)2

data_[Zr1P2H2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [5.5171] _cell_length_b [5.5171] _c...

4.131

0.003

0.6257

0.0058

MP

K4V2O7

data_[K8V4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.5057] _cell_length_b [6.3437] _cell_length_c [7.3767] _cell_a...

3.441

0.0

0.5811

0.0

MP

H8W(S2N)2

data_[H32W4S16N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.7830] _cell_length_b [7.1258] _...

2.166

0.0

0.4729

0.0

MP

LaMnO3

data_[La4Mn4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.5652] _cell_length_b [8.0317] _cell_length_c [5.5635] _cel...

1.101

0.168

0.3327

0.1372

MP

MnC5BrO5

data_[Mn4C20Br4O20] 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 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.8418] _cell_length_b [11.4...

2.804

0.507

0.5323

0.2985

MP

Lu(HO)3

data_[Lu4H12O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.2968] _cell_length_b [10.1112] _cell_length_c [6.1674] _c...

4.343

0.058

0.638

0.061

MP

PH8N4Cl

data_[P4H32N16Cl4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [4.7868] _cell_length_b [16.5378...

4.765

0.005

0.6611

0.0088

MP

BaAgSF

data_[Ba2Ag2S2F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.3044] _cell_length_b [4.304...

1.432

0.0

0.3841

0.0

MP

KP2H5O8

data_[K4P8H20O32] 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/c] _cell_length_a [7.9360] _cell_length_b [10.8711...

5.619

0.0

0.7025

0.0

MP

Os(OF)2

data_[Os2O4F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 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 [5.7677] _cell_length_b [5.7957] _cell_length_c [6.7963] _cell_an...

0.958

0.895

0.3071

0.4257

MP

VCu3(SeS)2

data_[V2Cu6Se4S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cmm2] _cell_length_a [7.7117] _cell_length_b [7.8677]...

0.891

0.0

0.2943

0.0

MP

V2Bi24O41

data_[V2Bi24O41] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P222] _cell_length_a [10.3521] _cell_length_b [10.3552] _cell_length_c [10.4441] _c...

1.805

0.008

0.4327

0.0128

MP

TeP4H26(NO5)4

data_[Te2P8H52N8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 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_name_H-M [P2_1/c] _cell_length_a ...

3.539

0.034

0.5879

0.0402

MP

TaNb2W

data_[Ta2Nb4W2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.3693] _cell_length_b [11.1757] _cell_length_c [15.7064] _ce...

0.027

4.923

0.0232

0.9653

MP

V2OF5

data_[V6O3F15] 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 [P3_1] _cell_length_a [5.3009] _cell_length_b [5.3009] _cell_length_c [13.4958] _cell_a...

1.88

0.002

0.4416

0.0042

MP

CsEuAsS3

data_[Cs4Eu4As4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Eu 1.2000 1.8500 1.1985 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.6295] _cell_length_b [8....

0.536

0.0

0.2146

0.0

MP

Rb2U(SiO3)4

data_[Rb4U2Si8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 U 1.3800 1.7500 0.9913 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9162] _cell_length_b [8.4945]...

2.449

0.0

0.5008

0.0

MP

MgMn2O4

data_[Mg4Mn8O16] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [3.2135] _cell_length_b [8.9605] _cell_length_c [10.8826] _...

0.844

0.095

0.285

0.0893

MP

RbTaO3

data_[Rb3Ta3O9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.7819] _cell_length_b [5.7819] _cell_length_c [7.0975] _cell_...

2.511

0.053

0.5066

0.0569

MP

TaTlPt

data_[Ta4Tl4Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.3257] _cell_length_b [6.3257] _cell_length_c [6.3257] _c...

0.966

0.336

0.3086

0.226

MP

Ba3LiTi5Nb3O21

data_[Ba12Li4Ti20Nb12O84] 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 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 [Cmc2_1] _cell_l...

2.123

0.011

0.4684

0.0164

MP

Zn3GaB6PO12

data_[Zn9Ga3B18P3O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ga 1.8100 1.3000 0.7600 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 [R3m] _cell_length_a [...

4.201

0.0

0.6298

0.0

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 [P2_1/c] _cell_length_a [5.6198] _cell_length_b [10.5...

3.27

0.06

0.5688

0.0626

MP

KVH2SeO7

data_[K4V4H8Se4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [...

2.591

0.027

0.5138

0.0335

MP

Ta2O5

data_[Ta12O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [12.7679] _cell_length_b [7.0739] _cell_length_c [7.2319] _cell_angle_alpha [90.0000] _cell_an...

3.073

0.058

0.5539

0.061

MP

P2Ir

data_[P8Ir4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.7954] _cell_length_b [5.8377] _cell_length_c [5.9007] _cell_angle_alpha [90.0000] _cell_a...

0.633

0.0

0.2387

0.0

MP

Zn4GeN4

data_[Zn16Ge4N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [5.3007] _cell_length_b [11.0891] _cell_length_c [8.0463] _c...

0.155

0.148

0.0896

0.1249

MP

Na2(ReS2)3

data_[Na16Re24S48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Re 1.9000 1.3500 0.7125 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.0646] _cell_length_b [9.7355] _cell_length_c [11.6542] ...

1.511

0.0

0.3952

0.0

MP

Na2SO4

data_[Na8S4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.7103] _cell_length_b [9.0605] _cell_length_c [7.0275] _cell_...

4.971

0.004

0.6717

0.0073

MP

Na7Fe4(AsO4)6

data_[Na42Fe24As36O144] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Fe 1.8300 1.4000 0.8525 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [14.0467] _cell_length_b ...

0.576

0.015

0.2248

0.021

MP

AlWF5

data_[Al2W2F10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 W 2.3600 1.3500 0.7667 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.8066] _cell_length_b [6.5695] _cell_length_c [7.8935] _cell_...

0.522

0.357

0.2109

0.2357

MP

Na3Fe2(PO4)3

data_[Na12Fe8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Fe 1.8300 1.4000 0.8525 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 [8.8524] _cell_length_b [9....

2.184

0.041

0.4748

0.0465

MP

SnO2

data_[Sn4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [4.0572] _cell_length_b [4.0572] _cell_length_c [10.3560] _cell_angle_alpha [90.0000] _cel...

1.308

0.087

0.3659

0.0835

MP

Pd(Se3Br)2

data_[Pd1Se6Br2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pd 2.2000 1.4000 0.8462 Se 2.5500 1.1500 1.0133 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.8452] _cell_length_b [7.8062] _cell_length_c [8.2000] _cel...

0.934

0.003

0.3026

0.0058

MP

Li5MnO3F2

data_[Li10Mn2O6F4] 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 [C2/m] _cell_length_a [9.5346] _cell_length_b [3.9501...

1.437

0.054

0.3848

0.0577

MP

K6Sn25

data_[K24Sn100] 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 ] _symmetry_space_group_name_H-M [P4_332] _cell_length_a [16.6123] _cell_length_b [16.6123] _cell_length_c [16.6123] _cell_angle_alpha [90.0000] _...

0.02

0.005

0.0183

0.0088

MP

Li8PtO6

data_[Li24Pt3O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.4875] _cell_length_b [5.4875] _cell_length_c [15.1618] _ce...

2.161

0.0

0.4724

0.0

MP

CrO2

data_[Cr4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [4.3202] _cell_length_b [5.5028] _cell_length_c [5.0226] _cell_angle_alpha [90.0000] _cell_ang...

0.274

0.036

0.1358

0.042

MP

Li12Cr3CoP4(CO7)4

data_[Li12Cr3Co1P4C4O28] 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 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...

1.551

0.074

0.4006

0.0737

MP

CsU2F9

data_[Cs4U8F36] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [15.7098] _cell_length_b [7.1188] _cell_length_c [8.7496] _cell_a...

0.178

0.0

0.0993

0.0

MP

Li2Cr3FeO8

data_[Li4Cr6Fe2O16] 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 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.2956] _cell_length_b [5.8...

0.391

0.098

0.1739

0.0914

MP

Ca2SnS4

data_[Ca16Sn8S32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [16.8075] _cell_length_b [7.1708] _cell_length_c [11.7826]...

2.026

0.113

0.458

0.1019

MP

Li2TiO3

data_[Li16Ti8O24] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [5.1000] _cell_length_b [8.8527] _cell_length_c [9.8346] _ce...

3.034

0.0

0.5509

0.0

MP

LiMn2O4

data_[Li4Mn8O16] 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 [P6_3mc] _cell_length_a [5.8660] _cell_length_b [5.8660] _cell_length_c [9.7639] _c...

0.079

0.027

0.0537

0.0335

MP

Sb3IO4

data_[Sb24I8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [19.2914] _cell_length_b [4.6362] _cell_length_c [16.0851] _...

2.535

0.0

0.5088

0.0

MP

Li4Fe2Ni3Sn(PO4)6

data_[Li4Fe2Ni3Sn1P6O24] 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 Ni 1.9100 1.3500 0.7400 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_grou...

3.054

0.082

0.5525

0.0798

MP

Ca2WO5

data_[Ca8W4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pnma] _cell_length_a [7.3145] _cell_length_b [5.4665] _cell_length_c [10.7210] _cell...

3.138

0.059

0.5589

0.0618

MP

SbH3NF6

data_[Sb8H24N8F48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.5479] _cell_length_b [12.4161...

4.697

0.019

0.6575

0.0254

MP

LiFe2P2HO8

data_[Li2Fe4P4H2O16] 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 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [...

3.767

0.035

0.6031

0.0411

MP

BaN6O

data_[Ba4N24O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [6.8424] _cell_length_b [11.6075] _cell_length_c [7.0938] _cell_a...

0.023

0.743

0.0205

0.3805

MP

KH8O4F

data_[K4H32O16F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.8275] _cell_length_b [13.3179...

5.438

0.008

0.6942

0.0128

MP

Li19Mn4P8O35F

data_[Li19Mn4P8O35F1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6...

0.48

0.06

0.1996

0.0626

MP

FeCuO2

data_[Fe3Cu3O6] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.0709] _cell_length_b [3.0709] _cell_length_c [17.2513] _cel...

0.804

0.0

0.2768

0.0

MP

Ho2TeO6

data_[Ho6Te3O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [9.1572] _cell_length_b [9.1572] _cell_length_c [5.1841] _cel...

3.103

0.009

0.5563

0.014

MP

KLi2As

data_[K2Li4As2] 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 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [4.4766] _cell_length_b [6.7128] _cell_length_c [6.3548] _cell...

0.688

0.0

0.2516

0.0

MP

Y2Pt2O7

data_[Y16Pt16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.3013] _cell_length_b [10.3013] _cell_length_c [10.3013] ...

1.421

0.0

0.3826

0.0

MP

CaSiO3

data_[Ca4Si4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.1017] _cell_length_b [7.2064] _cell_length_c [5.1157] _cel...

3.718

0.241

0.5999

0.1786

MP

Ba2CdAg

data_[Ba4Cd2Ag2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Cd 1.6900 1.5500 1.0900 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [13.9222] _cell_length_b [14.2575] _cell_length_c [19.6575] ...

0.321

1.365

0.1518

0.5401

MP

LuAlO3

data_[Lu6Al6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [5.2556] _cell_length_b [5.2556] _cell_length_c [12.6035] _ce...

0.0

0.082

0.0

0.0798

MP

RbNiCl3

data_[Rb2Ni2Cl6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ni 1.9100 1.3500 0.7400 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [7.0562] _cell_length_b [7.0562] _cell_length_c [5.9436]...

0.709

0.0

0.2563

0.0

MP

Ce(WO4)2

data_[Ce4W8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [9.6815] _cell_length_b [9.6815] _cell_length_c [9.6815] _cell...

1.72

0.103

0.4224

0.095

MP

Li4Cr3GaO8

data_[Li8Cr6Ga2O16] 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 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.1387] _cell_length_b [5.928...

3.081

0.022

0.5546

0.0285

MP

TaCuN2

data_[Ta3Cu3N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cu 1.9000 1.3500 0.8200 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.1549] _cell_length_b [3.1549] _cell_length_c [15.1036] _cel...

0.373

0.388

0.1684

0.2495

MP

Cd3(CuP5)2

data_[Cd9Cu6P30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [7.4867] _cell_length_b [7.4867] _cell_length_c [18.2743] _cel...

1.263

0.0

0.359

0.0

MP

La3CoW(SO2)3

data_[La6Co2W2S6O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Co 1.8800 1.3500 0.7683 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a...

1.131

0.112

0.3377

0.1012

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 [Pnma] _cell_length_a [8.0606] _cell_length_b [11.1551] _cell_length_c [7.7822] _ce...

4.575

0.005

0.651

0.0088

MP

KSnF3

data_[K8Sn8F24] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.2296] _cell_length_b [10.2042] _cell_length_c [10.5017] _cell...

3.511

0.0

0.5859

0.0

MP

Ba3CaTiWO9

data_[Ba6Ca2Ti2W2O18] 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 Ti 1.5400 1.4000 0.8517 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length...

3.146

0.017

0.5595

0.0232

MP

Ba7SiB3NO13

data_[Ba14Si2B6N2O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Si 1.9000 1.1000 0.5400 B 2.0400 0.8500 0.4100 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a ...

0.621

0.123

0.2359

0.1087

MP

MgH22SO15

data_[Mg2H44S2O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 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 [6.7821] _cell_length_b [6.8781] ...

5.024

0.01

0.6743

0.0152

MP

Sb2O3

data_[Sb16O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [7.6134] _cell_length_b [7.7772] _cell_length_c [12.0679] _cell_angle_alpha [90.0000] ...

2.337

0.032

0.4901

0.0383

MP

CoN12

data_[Co2N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.0875] _cell_length_b [7.8931] _cell_length_c [9.9938] _cell_angle_alpha [69.2869] _cell_ang...

0.328

1.578

0.1541

0.583

MP

Na2Ca3(Si3O8)2

data_[Na4Ca6Si12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.3047] _cell_length_b [10.2...

4.304

0.002

0.6358

0.0042

MP

MnVBiO5

data_[Mn2V2Bi2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.4663] _cell_length_b [7.0505]...

1.971

0.0

0.4519

0.0

MP

Na3Zn4P3O19

data_[Na18Zn24P18O114] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zn 1.6500 1.3500 0.8800 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3c] _cell_length_a [10.9572] _cell_length_b [10...

0.071

0.264

0.0495

0.1907

MP

V5O12

data_[V5O12] 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 [4.9654] _cell_length_b [5.3289] _cell_length_c [7.4963] _cell_angle_alpha [83.2832] _cell_angle_...

1.195

0.078

0.3483

0.0768

MP

BaTl(PO3)3

data_[Ba4Tl4P12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Tl 1.6200 1.9000 1.3325 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [6.3058] _cell_length_b ...

4.86

0.002

0.666

0.0042

MP

Mg2AlO6

data_[Mg2Al1O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.3739] _cell_length_b [5.3770] _cell_length_c [10.4202] _cell...

0.161

0.493

0.0922

0.293

MP

B10(Pb2O7)3

data_[B10Pb6O21] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9534] _cell_length_b [7.1045] _cell_length_c [11.4052] _cell...

3.259

0.0

0.568

0.0

MP

Bi2TeSe2

data_[Bi6Te3Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.2794] _cell_length_b [4.2794] _cell_length_c [30.4100] _ce...

0.438

0.001

0.1878

0.0024

MP

Te3As2S(OF6)2

data_[Te12As8S4O8F48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [...

2.033

0.132

0.4588

0.1146

MP

In3Ru

data_[In12Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P-4n2] _cell_length_a [7.0922] _cell_length_b [7.0922] _cell_length_c [7.3555] _cell_angle_alpha [90.0000] _cell...

0.21

0.0

0.1121

0.0

MP

Tb3NbO7

data_[Tb12Nb4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [10.6346] _cell_length_b [7.3910] _cell_length_c [7.5775] _c...

2.704

0.039

0.5238

0.0447

MP

Li3FeO3

data_[Li12Fe4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.4153] _cell_length_b [11.2762] _cell_length_c [5.7241] ...

2.343

0.069

0.4907

0.0698

MP

NaNpCO5

data_[Na2Np2C2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Np 1.3600 1.7500 1.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [4.9268] _cell_length_b [4.39...

0.038

0.0

0.0304

0.0

MP

Rb5GeP3

data_[Rb20Ge4P12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ge 2.0100 1.2500 0.7700 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [15.7133] _cell_length_b [5.4934] _cell_length_c [14.9809] _...

0.849

0.0

0.286

0.0

MP

Mg2CdAu

data_[Mg4Cd2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Cd 1.6900 1.5500 1.0900 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.0336] _cell_length_b [11.9075] _cell_length_c [16.8238] ...

0.008

1.129

0.0088

0.4866