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	La2Si2O7	data_[La8Si8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.8773] _cell_length_b [6.9548] _cell_length_c [12.6424] _cel...	4.563	0.01	0.6503	0.0152
MP	ScCuSe2	data_[Sc8Cu8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.2702] _cell_length_b [7.7813] _cell_length_c [12.7451]...	0.807	0.002	0.2774	0.0042
MP	Ni5(TeO6)2	data_[Ni10Te4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [5.0801] _cell_length_b [9.0412] _cell_length_c [9.9494] _cell...	0.205	0.098	0.1101	0.0914
MP	BaCoSiO4	data_[Ba6Co6Si6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Co 1.8800 1.3500 0.7683 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [9.2290] _cell_length_b [9.22...	3.102	0.017	0.5562	0.0232
MP	NaMnAsO4	data_[Na4Mn4As4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [10.9325] _cell_length_b [6.4...	2.018	0.0	0.4571	0.0
MP	CaO	data_[Ca4O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [4.8393] _cell_length_b [4.8393] _cell_length_c [4.8393] _cell_angle_alpha [90.0000] _cell_an...	3.63	0.0	0.594	0.0
MP	Cu2HgI4	data_[Cu8Hg4I16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Hg 2.0000 1.5000 1.2450 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Cccm] _cell_length_a [7.4207] _cell_length_b [12.1493] _cell_length_c [19.4532] _c...	0.42	0.25	0.1826	0.1834
MP	NaCr(GeO3)2	data_[Na4Cr4Ge8O24] 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 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.1107] _cell_length_b [8.9...	2.847	0.0	0.5359	0.0
MP	K3I2Br	data_[K3I2Br1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 I 2.6600 1.4000 1.2733 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.9517] _cell_length_b [4.9517] _cell_length_c [12.2477] _cell...	3.731	0.005	0.6007	0.0088
MP	InP3(HO5)2	data_[In4P12H8O40] 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 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 [9.1516] _cell_length_b [9.325...	3.871	0.066	0.6097	0.0675
MP	BaAlSi4N5O3	data_[Ba4Al4Si16N20O12] 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 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_leng...	3.216	0.037	0.5648	0.0429
MP	Fe4O3F5	data_[Fe8O6F10] 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 [Imm2] _cell_length_a [6.2081] _cell_length_b [7.0598] _cell_length_c [6.4869] _cell_...	1.498	0.09	0.3934	0.0857
MP	LiTi2(PO4)3	data_[Li4Ti8P12O48] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [8.6544] _cell_length_b [12....	2.492	0.006	0.5048	0.0101
MP	NaNiF3	data_[Na4Ni4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.0543] _cell_length_b [10.1971] _cell_length_c [7.4426] _ce...	5.124	0.006	0.6793	0.0101
MP	Ba3Ta4TiO15	data_[Ba6Ta8Ti2O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [4.0185] _cell_length_b [12.760...	2.353	0.0	0.4917	0.0
MP	VBi2O5	data_[V12Bi24O60] 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 [Cmcm] _cell_length_a [16.5264] _cell_length_b [15.3266] _cell_length_c [5.4700] _c...	0.338	0.085	0.1573	0.082
MP	VO2F	data_[V4O8F4] 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 [P2_12_12_1] _cell_length_a [5.0634] _cell_length_b [5.1134] _cell_length_c [8.4254] _ce...	1.624	0.039	0.4102	0.0447
MP	RbHgC3(SN)3	data_[Rb2Hg2C6S6N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Hg 2.0000 1.5000 1.2450 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a ...	1.942	0.135	0.4487	0.1166
MP	Na3NiBSO7	data_[Na6Ni2B2S2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ni 1.9100 1.3500 0.7400 B 2.0400 0.8500 0.4100 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a...	2.784	0.074	0.5306	0.0737
MP	V2P2O9	data_[V16P16O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pca2_1] _cell_length_a [7.6317] _cell_length_b [9.7453] _cell_length_c [16.9800] _ce...	1.728	0.029	0.4234	0.0354
MP	Cr3Co(PO4)4	data_[Cr3Co1P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [Pm] _cell_length_a [4.7611] _cell_length_b [5.7791] ...	0.699	0.044	0.2541	0.0492
MP	Li4MnCrO6	data_[Li32Mn8Cr8O48] 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 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [5.0451] _cell_length_b [8.646...	0.984	0.038	0.312	0.0438
MP	Ba10MgMn3V8(Cl3O7)4	data_[Ba10Mg1Mn3V8Cl12O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mg 1.3100 1.5000 0.8600 Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_gr...	2.443	0.006	0.5003	0.0101
MP	Ca2Fe2Si5HO15	data_[Ca4Fe4Si10H2O30] 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 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a...	1.882	0.006	0.4418	0.0101
MP	Ca4Ti3AlSi4O19F	data_[Ca8Ti6Al2Si8O38F2] 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 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_grou...	2.976	0.009	0.5463	0.014
MP	Ba4SnN4	data_[Ba8Sn2N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.8708] _cell_length_b [7.0413] _cell_length_c [9.8718] _cell_...	0.652	0.19	0.2432	0.1503
MP	Sr(ZnN)2	data_[Sr6Zn12N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Zn 1.6500 1.3500 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.4012] _cell_length_b [10.4060] _cell_length_c [6.3244] _c...	0.422	0.068	0.1831	0.069
MP	Mg30CrSnO32	data_[Mg30Cr1Sn1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Cr 1.6600 1.4000 0.9400 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5877] _cell_length_b [8...	1.939	0.068	0.4483	0.069
MP	CaSO6	data_[Ca4S4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.6986] _cell_length_b [17.5233] _cell_length_c [6.7238] _ce...	1.794	0.314	0.4314	0.2156
MP	Ca2Nb2O7	data_[Ca16Nb16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.5834] _cell_length_b [10.5834] _cell_length_c [10.5834...	1.44	0.041	0.3853	0.0465
MP	Li11Fe5(OF11)2	data_[Li11Fe5O2F22] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1620] _cell_length_b [8.7657]...	2.319	0.034	0.4883	0.0402
MP	Ba6Y2Fe4O15	data_[Ba12Y4Fe8O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Y 1.2200 1.8000 1.0400 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [8.1676] _cell_length_b [6.072...	2.465	0.0	0.5023	0.0
MP	B11H11C4SI10NF	data_[B44H44C16S4I40N4F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.70...	2.213	0.051	0.4777	0.0552
MP	BaLiSb	data_[Ba2Li2Sb2] 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 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.9423] _cell_length_b [4.9423] _cell_length_c [9.2005]...	0.695	0.0	0.2531	0.0
MP	LaSmO3	data_[La4Sm4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Sm 1.1700 1.8500 1.2290 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [6.2145] _cell_length_b [6.0302] _cell_length_c [8.7319] _c...	4.288	0.068	0.6349	0.069
MP	K7TaAs4	data_[K14Ta2As8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [10.3712] _cell_length_b [9.2486] _cell_length_c [8.4187] _...	1.041	0.0	0.3222	0.0
MP	Mg2Mo3O8	data_[Mg4Mo6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [6.2796] _cell_length_b [6.2796] _cell_length_c [9.4914] _c...	0.002	0.046	0.0029	0.0509
MP	MnGeO3	data_[Mn16Ge16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [5.5685] _cell_length_b [19.5804] _cell_length_c [9.3940] _...	1.308	0.015	0.3659	0.021
MP	Cs4In2S5	data_[Cs8In4S10] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.0649] _cell_length_b [9.9160] _cell_length_c [11.3248] _cel...	2.18	0.0	0.4744	0.0
MP	OF2	data_[O4F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.0314] _cell_length_b [3.0192] _cell_length_c [5.9706] _cell_angle_alpha [90.0000] _cell_angle...	2.124	0.0	0.4685	0.0
MP	Cs3U2PO10	data_[Cs12U8P4O40] 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 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 [13.7796] _cell_length_b [8.2812...	2.15	0.0	0.4712	0.0
MP	Li4Mn(OF)2	data_[Li16Mn4O8F8] 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 [Cmcm] _cell_length_a [8.2729] _cell_length_b [7.1084...	2.966	0.102	0.5455	0.0943
MP	As3Pb5ClO9	data_[As6Pb10Cl2O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [10.5967] _cell_length_b [...	2.64	0.0	0.5182	0.0
MP	Ca3Ga2(SnO4)3	data_[Ca24Ga16Sn24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ga 1.8100 1.3000 0.7600 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.9228] _cell_length_b ...	2.632	0.113	0.5175	0.1019
MP	Ce2(Ga3Ir)3	data_[Ce8Ga36Ir12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Ga 1.8100 1.3000 0.7600 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [13.3069] _cell_length_b [7.7117] _cell_length_c [9.4926] ...	0.008	0.0	0.0088	0.0
MP	Zn(CrSe2)2	data_[Zn8Cr16Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Cr 1.6600 1.4000 0.9400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.6045] _cell_length_b [10.6045] _cell_length_c [10.604...	0.039	0.0	0.031	0.0
MP	H10C5S2N2(O2F3)2	data_[H40C20S8N8O16F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_nam...	5.895	0.347	0.7146	0.2311
MP	MoS2	data_[Mo2S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.1903] _cell_length_b [3.1903] _cell_length_c [24.8790] _cell_angle_alpha [90.0000] _cell_a...	1.554	0.007	0.401	0.0115
MP	Li7Mn5O12	data_[Li14Mn10O24] 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 [C2] _cell_length_a [5.1531] _cell_length_b [8.8103] _cell_length_c [9.6679] _cel...	0.729	0.022	0.2607	0.0285
MP	Li8ScFe7(SiO3)16	data_[Li8Sc1Fe7Si16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sc 1.3600 1.6000 0.8850 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_...	2.75	0.01	0.5277	0.0152
MP	CsKAu2	data_[Cs2K2Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.8025] _cell_length_b [13.1365] _cell_length_c [18.6248] _c...	2.906	0.412	0.5407	0.2599
MP	NaBO2	data_[Na18B18O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [11.9948] _cell_length_b [11.9948] _cell_length_c [6.5746] _c...	4.104	0.0	0.6241	0.0
MP	Rb3Ce2(NO3)9	data_[Rb12Ce8N36O108] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ce 1.1200 1.8500 1.0800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_132] _cell_length_a [13.9761] _cell_length_b [...	2.923	0.035	0.5421	0.0411
MP	NaLiHg2	data_[Na2Li2Hg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.8204] _cell_length_b [11.9612] _cell_length_c [16.9190] ...	0.127	0.75	0.0772	0.3827
MP	La6Mg(SiS7)2	data_[La6Mg1Si2S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P3] _cell_length_a [10.4107] _cell_length_b [10.41...	1.97	0.0	0.4518	0.0
MP	HoP4HO12	data_[Ho4P16H4O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 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 [13.7795] _cell_length_b [7.18...	5.598	0.0	0.7015	0.0
MP	Gd3TaO7	data_[Gd12Ta4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [10.7743] _cell_length_b [7.4421] _cell_length_c [7.5946] _c...	2.557	0.018	0.5108	0.0243
MP	Er2Ge2O7	data_[Er8Ge8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_12_12] _cell_length_a [6.8271] _cell_length_b [6.8271] _cell_length_c [12.4331]...	3.737	0.0	0.6011	0.0
MP	Sr2VBrO4	data_[Sr8V4Br4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 V 1.6300 1.3500 0.7775 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [6.6872] _cell_length_b [7.6170...	3.285	0.0	0.5699	0.0
MP	Ba2HgAu	data_[Ba4Hg2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Hg 2.0000 1.5000 1.2450 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [13.4332] _cell_length_b [13.8060] _cell_length_c [19.0171] ...	0.266	1.332	0.1329	0.533
MP	SrNi3(P2O7)2	data_[Sr2Ni6P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 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 [7.5063] _cell_length_b [7.76...	4.02	0.0	0.619	0.0
MP	LuCuSe2	data_[Lu1Cu1Se2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [4.0650] _cell_length_b [4.0650] _cell_length_c [6.3756] _ce...	1.108	0.017	0.3338	0.0232
MP	NaMnPCO7	data_[Na4Mn4P4C4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8...	0.938	0.015	0.3034	0.021
MP	EuAl12O19	data_[Eu2Al24O38] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [5.6280] _cell_length_b [5.6280] _cell_length_c [22.1922] ...	0.17	0.0	0.096	0.0
MP	LaVO4	data_[La4V4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.8043] _cell_length_b [7.3533] _cell_length_c [8.4628] _cel...	3.515	0.036	0.5862	0.042
MP	Sr3Nd4O9	data_[Sr6Nd8O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Nd 1.1400 1.8500 1.2765 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.5326] _cell_length_b [8.2037] _cell_length_c [9.6126] _cell_...	3.114	0.258	0.5571	0.1876
MP	Sr6Bi2O11	data_[Sr12Bi4O22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [8.6176] _cell_length_b [8.5826] _cell_length_c [8.8560] _...	1.284	0.125	0.3623	0.11
MP	KF2	data_[K2F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [5.0523] _cell_length_b [5.0523] _cell_length_c [5.0547] _cell_angle_alpha [90.0000] _cell_a...	1.446	0.0	0.3861	0.0
MP	HgTe	data_[Hg3Te3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P3_121] _cell_length_a [4.7153] _cell_length_b [4.7153] _cell_length_c [10.4137] _cell_angle_alpha [90.0000] _cel...	0.48	0.037	0.1996	0.0429
MP	V2Pb2Se2O11	data_[V4Pb4Se4O22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9944] _cell_length_b [7.3109]...	2.503	0.004	0.5058	0.0073
MP	Lu2Pt2O7	data_[Lu16Pt16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 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 [10.1578] _cell_length_b [10.1578] _cell_length_c [10.1578...	1.657	0.0	0.4144	0.0
MP	Li17V16O32	data_[Li34V32O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [12.0299] _cell_length_b [12.0466] _cell_length_c [10.3993] _ce...	0.647	0.024	0.2421	0.0305
MP	MoWS4	data_[Mo1W1S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.1884] _cell_length_b [3.1884] _cell_length_c [22.3700] _cell_...	1.337	0.007	0.3703	0.0115
MP	NaCd(PO3)3	data_[Na16Cd16P48O144] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cd 1.6900 1.5500 1.0900 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [14.9151] _cell_lengt...	4.686	0.0	0.6569	0.0
MP	BeCl2	data_[Be48Cl96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [19.7887] _cell_length_b [19.7887] _cell_length_c [19.7887] _cell_angle_alpha [90.0000] _...	6.636	0.015	0.7447	0.021
MP	Rb5H5(OF3)2	data_[Rb20H20O8F24] 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 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pccn] _cell_length_a [12.2489] _cell_length_b [13.67...	5.349	0.002	0.6901	0.0042
MP	Rb2Y2(PO4)3	data_[Rb8Y8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Y 1.2200 1.8000 1.0400 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 [10.8036] _cell_length_b [10.80...	0.03	0.001	0.0252	0.0024
MP	LiCo2OF3	data_[Li6Co12O6F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [6.0270] _cell_length_b [6.0270...	2.088	0.059	0.4647	0.0618
MP	InCu(MoO4)2	data_[In4Cu4Mo8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Cu 1.9000 1.3500 0.8200 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.7022] _cell_length_b [11.7...	0.545	0.037	0.2169	0.0429
MP	Li2Mn(PO4)2	data_[Li8Mn4P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.3930] _cell_length_b [8.0441...	1.109	0.006	0.334	0.0101
MP	Fe5(PO4)4	data_[Fe5P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.1788] _cell_length_b [8.0485] _cell_length_c [8.3917] _cell_a...	0.571	0.018	0.2235	0.0243
MP	CaSi2WO6	data_[Ca4Si8W4O24] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.6984] _cell_length_b [8.902...	1.322	0.374	0.368	0.2433
MP	LiSbCSO7	data_[Li2Sb2C2S2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sb 2.0500 1.4500 0.8300 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [...	4.058	0.068	0.6213	0.069
MP	Fe5P6WO24	data_[Fe15P18W3O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.7070] _cell_length_b [8.7070] ...	2.338	0.021	0.4902	0.0275
MP	InRe2C10BrO10	data_[In8Re16C80Br8O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Re 1.9000 1.3500 0.7125 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 [P2_1/c] _cell_leng...	2.404	0.229	0.4966	0.1722
MP	KNaNdNbO5	data_[K2Na2Nd2Nb2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 Nd 1.1400 1.8500 1.2765 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length...	3.443	0.0	0.5812	0.0
MP	Pb3(ClO)2	data_[Pb12Cl8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.1251] _cell_length_b [5.9461] _cell_length_c [9.8155] _ce...	2.429	0.0	0.4989	0.0
MP	K2CdP2O7	data_[K8Cd4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cd 1.6900 1.5500 1.0900 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 [9.9066] _cell_length_b [5.6435] ...	3.779	0.0	0.6038	0.0
MP	Li4V5O9F	data_[Li4V5O9F1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1858] _cell_length_b [5.2339] _ce...	1.72	0.066	0.4224	0.0675
MP	Ta2CdO6	data_[Ta8Cd4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [14.9862] _cell_length_b [6.0025] _cell_length_c [5.1816] _ce...	4.02	0.0	0.619	0.0
MP	MnCo3O8	data_[Mn2Co6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [5.6263] _cell_length_b [5.6263] _cell_length_c [8.7089] _c...	0.815	0.045	0.2791	0.0501
MP	Fe3C9(SO5)2	data_[Fe6C18S4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 C 2.5500 0.7000 0.3000 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 [9.1090] _cell_length_b [9.5897] ...	2.164	0.713	0.4727	0.371
MP	WO3	data_[W8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.7189] _cell_length_b [7.6802] _cell_length_c [7.7510] _cell_angle_alpha [90.0000] _cell_an...	1.371	0.007	0.3753	0.0115
MP	Li2AgAs	data_[Li4Ag2As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ag 1.9300 1.6000 1.0867 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.1463] _cell_length_b [10.8979] _cell_length_c [15.3977] ...	0.915	1.272	0.299	0.5199
MP	LiFe4(PO4)3	data_[Li4Fe16P12O48] 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 [Pccn] _cell_length_a [8.3578] _cell_length_b [13.6...	3.222	0.056	0.5653	0.0594
MP	Ba(DyTe2)2	data_[Ba4Dy8Te16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Dy 1.2200 1.7500 1.1310 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.8222] _cell_length_b [4.4887] _cell_length_c [16.3153] ...	1.294	0.0	0.3638	0.0
MP	Ba8Si6Sn	data_[Ba32Si24Sn4] 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 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [8.8348] _cell_length_b [8.8267] _cell_length_c [27.4330] ...	0.259	0.0	0.1304	0.0
MP	AuCl3	data_[Au4Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Au 2.5400 1.3500 1.0700 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.1107] _cell_length_b [11.9099] _cell_length_c [6.9298] _cell_angle_alpha [90.0000] _ce...	1.361	0.0	0.3739	0.0
MP	LiMn5O10	data_[Li2Mn10O20] 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 [P-1] _cell_length_a [5.0258] _cell_length_b [7.6744] _cell_length_c [10.1695] _ce...	0.543	0.098	0.2164	0.0914
MP	Be3N2	data_[Be9N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [2.8477] _cell_length_b [2.8477] _cell_length_c [14.6328] _cell_angle_alpha [90.0000] _cell_ang...	2.764	0.053	0.5289	0.0569

MP

La2Si2O7

data_[La8Si8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.8773] _cell_length_b [6.9548] _cell_length_c [12.6424] _cel...

4.563

0.01

0.6503

0.0152

MP

ScCuSe2

data_[Sc8Cu8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.2702] _cell_length_b [7.7813] _cell_length_c [12.7451]...

0.807

0.002

0.2774

0.0042

MP

Ni5(TeO6)2

data_[Ni10Te4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [5.0801] _cell_length_b [9.0412] _cell_length_c [9.9494] _cell...

0.205

0.098

0.1101

0.0914

MP

BaCoSiO4

data_[Ba6Co6Si6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Co 1.8800 1.3500 0.7683 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [9.2290] _cell_length_b [9.22...

3.102

0.017

0.5562

0.0232

MP

NaMnAsO4

data_[Na4Mn4As4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [10.9325] _cell_length_b [6.4...

2.018

0.0

0.4571

0.0

MP

CaO

data_[Ca4O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [4.8393] _cell_length_b [4.8393] _cell_length_c [4.8393] _cell_angle_alpha [90.0000] _cell_an...

3.63

0.0

0.594

0.0

MP

Cu2HgI4

data_[Cu8Hg4I16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Hg 2.0000 1.5000 1.2450 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Cccm] _cell_length_a [7.4207] _cell_length_b [12.1493] _cell_length_c [19.4532] _c...

0.42

0.25

0.1826

0.1834

MP

NaCr(GeO3)2

data_[Na4Cr4Ge8O24] 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 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.1107] _cell_length_b [8.9...

2.847

0.0

0.5359

0.0

MP

K3I2Br

data_[K3I2Br1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 I 2.6600 1.4000 1.2733 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.9517] _cell_length_b [4.9517] _cell_length_c [12.2477] _cell...

3.731

0.005

0.6007

0.0088

MP

InP3(HO5)2

data_[In4P12H8O40] 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 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 [9.1516] _cell_length_b [9.325...

3.871

0.066

0.6097

0.0675

MP

BaAlSi4N5O3

data_[Ba4Al4Si16N20O12] 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 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_leng...

3.216

0.037

0.5648

0.0429

MP

Fe4O3F5

data_[Fe8O6F10] 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 [Imm2] _cell_length_a [6.2081] _cell_length_b [7.0598] _cell_length_c [6.4869] _cell_...

1.498

0.09

0.3934

0.0857

MP

LiTi2(PO4)3

data_[Li4Ti8P12O48] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [8.6544] _cell_length_b [12....

2.492

0.006

0.5048

0.0101

MP

NaNiF3

data_[Na4Ni4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.0543] _cell_length_b [10.1971] _cell_length_c [7.4426] _ce...

5.124

0.006

0.6793

0.0101

MP

Ba3Ta4TiO15

data_[Ba6Ta8Ti2O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [4.0185] _cell_length_b [12.760...

2.353

0.0

0.4917

0.0

MP

VBi2O5

data_[V12Bi24O60] 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 [Cmcm] _cell_length_a [16.5264] _cell_length_b [15.3266] _cell_length_c [5.4700] _c...

0.338

0.085

0.1573

0.082

MP

VO2F

data_[V4O8F4] 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 [P2_12_12_1] _cell_length_a [5.0634] _cell_length_b [5.1134] _cell_length_c [8.4254] _ce...

1.624

0.039

0.4102

0.0447

MP

RbHgC3(SN)3

data_[Rb2Hg2C6S6N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Hg 2.0000 1.5000 1.2450 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a ...

1.942

0.135

0.4487

0.1166

MP

Na3NiBSO7

data_[Na6Ni2B2S2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ni 1.9100 1.3500 0.7400 B 2.0400 0.8500 0.4100 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a...

2.784

0.074

0.5306

0.0737

MP

V2P2O9

data_[V16P16O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pca2_1] _cell_length_a [7.6317] _cell_length_b [9.7453] _cell_length_c [16.9800] _ce...

1.728

0.029

0.4234

0.0354

MP

Cr3Co(PO4)4

data_[Cr3Co1P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [Pm] _cell_length_a [4.7611] _cell_length_b [5.7791] ...

0.699

0.044

0.2541

0.0492

MP

Li4MnCrO6

data_[Li32Mn8Cr8O48] 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 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [5.0451] _cell_length_b [8.646...

0.984

0.038

0.312

0.0438

MP

Ba10MgMn3V8(Cl3O7)4

data_[Ba10Mg1Mn3V8Cl12O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mg 1.3100 1.5000 0.8600 Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_gr...

2.443

0.006

0.5003

0.0101

MP

Ca2Fe2Si5HO15

data_[Ca4Fe4Si10H2O30] 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 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a...

1.882

0.006

0.4418

0.0101

MP

Ca4Ti3AlSi4O19F

data_[Ca8Ti6Al2Si8O38F2] 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 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_grou...

2.976

0.009

0.5463

0.014

MP

Ba4SnN4

data_[Ba8Sn2N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.8708] _cell_length_b [7.0413] _cell_length_c [9.8718] _cell_...

0.652

0.19

0.2432

0.1503

MP

Sr(ZnN)2

data_[Sr6Zn12N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Zn 1.6500 1.3500 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.4012] _cell_length_b [10.4060] _cell_length_c [6.3244] _c...

0.422

0.068

0.1831

0.069

MP

Mg30CrSnO32

data_[Mg30Cr1Sn1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Cr 1.6600 1.4000 0.9400 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5877] _cell_length_b [8...

1.939

0.068

0.4483

0.069

MP

CaSO6

data_[Ca4S4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.6986] _cell_length_b [17.5233] _cell_length_c [6.7238] _ce...

1.794

0.314

0.4314

0.2156

MP

Ca2Nb2O7

data_[Ca16Nb16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.5834] _cell_length_b [10.5834] _cell_length_c [10.5834...

1.44

0.041

0.3853

0.0465

MP

Li11Fe5(OF11)2

data_[Li11Fe5O2F22] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1620] _cell_length_b [8.7657]...

2.319

0.034

0.4883

0.0402

MP

Ba6Y2Fe4O15

data_[Ba12Y4Fe8O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Y 1.2200 1.8000 1.0400 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [8.1676] _cell_length_b [6.072...

2.465

0.0

0.5023

0.0

MP

B11H11C4SI10NF

data_[B44H44C16S4I40N4F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.70...

2.213

0.051

0.4777

0.0552

MP

BaLiSb

data_[Ba2Li2Sb2] 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 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.9423] _cell_length_b [4.9423] _cell_length_c [9.2005]...

0.695

0.0

0.2531

0.0

MP

LaSmO3

data_[La4Sm4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Sm 1.1700 1.8500 1.2290 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [6.2145] _cell_length_b [6.0302] _cell_length_c [8.7319] _c...

4.288

0.068

0.6349

0.069

MP

K7TaAs4

data_[K14Ta2As8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [10.3712] _cell_length_b [9.2486] _cell_length_c [8.4187] _...

1.041

0.0

0.3222

0.0

MP

Mg2Mo3O8

data_[Mg4Mo6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [6.2796] _cell_length_b [6.2796] _cell_length_c [9.4914] _c...

0.002

0.046

0.0029

0.0509

MP

MnGeO3

data_[Mn16Ge16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [5.5685] _cell_length_b [19.5804] _cell_length_c [9.3940] _...

1.308

0.015

0.3659

0.021

MP

Cs4In2S5

data_[Cs8In4S10] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.0649] _cell_length_b [9.9160] _cell_length_c [11.3248] _cel...

2.18

0.0

0.4744

0.0

MP

OF2

data_[O4F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.0314] _cell_length_b [3.0192] _cell_length_c [5.9706] _cell_angle_alpha [90.0000] _cell_angle...

2.124

0.0

0.4685

0.0

MP

Cs3U2PO10

data_[Cs12U8P4O40] 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 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 [13.7796] _cell_length_b [8.2812...

2.15

0.0

0.4712

0.0

MP

Li4Mn(OF)2

data_[Li16Mn4O8F8] 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 [Cmcm] _cell_length_a [8.2729] _cell_length_b [7.1084...

2.966

0.102

0.5455

0.0943

MP

As3Pb5ClO9

data_[As6Pb10Cl2O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [10.5967] _cell_length_b [...

2.64

0.0

0.5182

0.0

MP

Ca3Ga2(SnO4)3

data_[Ca24Ga16Sn24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ga 1.8100 1.3000 0.7600 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.9228] _cell_length_b ...

2.632

0.113

0.5175

0.1019

MP

Ce2(Ga3Ir)3

data_[Ce8Ga36Ir12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Ga 1.8100 1.3000 0.7600 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [13.3069] _cell_length_b [7.7117] _cell_length_c [9.4926] ...

0.008

0.0

0.0088

0.0

MP

Zn(CrSe2)2

data_[Zn8Cr16Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Cr 1.6600 1.4000 0.9400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.6045] _cell_length_b [10.6045] _cell_length_c [10.604...

0.039

0.0

0.031

0.0

MP

H10C5S2N2(O2F3)2

data_[H40C20S8N8O16F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_nam...

5.895

0.347

0.7146

0.2311

MP

MoS2

data_[Mo2S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.1903] _cell_length_b [3.1903] _cell_length_c [24.8790] _cell_angle_alpha [90.0000] _cell_a...

1.554

0.007

0.401

0.0115

MP

Li7Mn5O12

data_[Li14Mn10O24] 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 [C2] _cell_length_a [5.1531] _cell_length_b [8.8103] _cell_length_c [9.6679] _cel...

0.729

0.022

0.2607

0.0285

MP

Li8ScFe7(SiO3)16

data_[Li8Sc1Fe7Si16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sc 1.3600 1.6000 0.8850 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_...

2.75

0.01

0.5277

0.0152

MP

CsKAu2

data_[Cs2K2Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.8025] _cell_length_b [13.1365] _cell_length_c [18.6248] _c...

2.906

0.412

0.5407

0.2599

MP

NaBO2

data_[Na18B18O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [11.9948] _cell_length_b [11.9948] _cell_length_c [6.5746] _c...

4.104

0.0

0.6241

0.0

MP

Rb3Ce2(NO3)9

data_[Rb12Ce8N36O108] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ce 1.1200 1.8500 1.0800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_132] _cell_length_a [13.9761] _cell_length_b [...

2.923

0.035

0.5421

0.0411

MP

NaLiHg2

data_[Na2Li2Hg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.8204] _cell_length_b [11.9612] _cell_length_c [16.9190] ...

0.127

0.75

0.0772

0.3827

MP

La6Mg(SiS7)2

data_[La6Mg1Si2S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P3] _cell_length_a [10.4107] _cell_length_b [10.41...

1.97

0.0

0.4518

0.0

MP

HoP4HO12

data_[Ho4P16H4O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 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 [13.7795] _cell_length_b [7.18...

5.598

0.0

0.7015

0.0

MP

Gd3TaO7

data_[Gd12Ta4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [10.7743] _cell_length_b [7.4421] _cell_length_c [7.5946] _c...

2.557

0.018

0.5108

0.0243

MP

Er2Ge2O7

data_[Er8Ge8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_12_12] _cell_length_a [6.8271] _cell_length_b [6.8271] _cell_length_c [12.4331]...

3.737

0.0

0.6011

0.0

MP

Sr2VBrO4

data_[Sr8V4Br4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 V 1.6300 1.3500 0.7775 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [6.6872] _cell_length_b [7.6170...

3.285

0.0

0.5699

0.0

MP

Ba2HgAu

data_[Ba4Hg2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Hg 2.0000 1.5000 1.2450 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [13.4332] _cell_length_b [13.8060] _cell_length_c [19.0171] ...

0.266

1.332

0.1329

0.533

MP

SrNi3(P2O7)2

data_[Sr2Ni6P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 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 [7.5063] _cell_length_b [7.76...

4.02

0.0

0.619

0.0

MP

LuCuSe2

data_[Lu1Cu1Se2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [4.0650] _cell_length_b [4.0650] _cell_length_c [6.3756] _ce...

1.108

0.017

0.3338

0.0232

MP

NaMnPCO7

data_[Na4Mn4P4C4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8...

0.938

0.015

0.3034

0.021

MP

EuAl12O19

data_[Eu2Al24O38] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [5.6280] _cell_length_b [5.6280] _cell_length_c [22.1922] ...

0.17

0.0

0.096

0.0

MP

LaVO4

data_[La4V4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.8043] _cell_length_b [7.3533] _cell_length_c [8.4628] _cel...

3.515

0.036

0.5862

0.042

MP

Sr3Nd4O9

data_[Sr6Nd8O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Nd 1.1400 1.8500 1.2765 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.5326] _cell_length_b [8.2037] _cell_length_c [9.6126] _cell_...

3.114

0.258

0.5571

0.1876

MP

Sr6Bi2O11

data_[Sr12Bi4O22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [8.6176] _cell_length_b [8.5826] _cell_length_c [8.8560] _...

1.284

0.125

0.3623

0.11

MP

KF2

data_[K2F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [5.0523] _cell_length_b [5.0523] _cell_length_c [5.0547] _cell_angle_alpha [90.0000] _cell_a...

1.446

0.0

0.3861

0.0

MP

HgTe

data_[Hg3Te3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P3_121] _cell_length_a [4.7153] _cell_length_b [4.7153] _cell_length_c [10.4137] _cell_angle_alpha [90.0000] _cel...

0.48

0.037

0.1996

0.0429

MP

V2Pb2Se2O11

data_[V4Pb4Se4O22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9944] _cell_length_b [7.3109]...

2.503

0.004

0.5058

0.0073

MP

Lu2Pt2O7

data_[Lu16Pt16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 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 [10.1578] _cell_length_b [10.1578] _cell_length_c [10.1578...

1.657

0.0

0.4144

0.0

MP

Li17V16O32

data_[Li34V32O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [12.0299] _cell_length_b [12.0466] _cell_length_c [10.3993] _ce...

0.647

0.024

0.2421

0.0305

MP

MoWS4

data_[Mo1W1S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.1884] _cell_length_b [3.1884] _cell_length_c [22.3700] _cell_...

1.337

0.007

0.3703

0.0115

MP

NaCd(PO3)3

data_[Na16Cd16P48O144] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cd 1.6900 1.5500 1.0900 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [14.9151] _cell_lengt...

4.686

0.0

0.6569

0.0

MP

BeCl2

data_[Be48Cl96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [19.7887] _cell_length_b [19.7887] _cell_length_c [19.7887] _cell_angle_alpha [90.0000] _...

6.636

0.015

0.7447

0.021

MP

Rb5H5(OF3)2

data_[Rb20H20O8F24] 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 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pccn] _cell_length_a [12.2489] _cell_length_b [13.67...

5.349

0.002

0.6901

0.0042

MP

Rb2Y2(PO4)3

data_[Rb8Y8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Y 1.2200 1.8000 1.0400 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 [10.8036] _cell_length_b [10.80...

0.03

0.001

0.0252

0.0024

MP

LiCo2OF3

data_[Li6Co12O6F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [6.0270] _cell_length_b [6.0270...

2.088

0.059

0.4647

0.0618

MP

InCu(MoO4)2

data_[In4Cu4Mo8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Cu 1.9000 1.3500 0.8200 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.7022] _cell_length_b [11.7...

0.545

0.037

0.2169

0.0429

MP

Li2Mn(PO4)2

data_[Li8Mn4P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.3930] _cell_length_b [8.0441...

1.109

0.006

0.334

0.0101

MP

Fe5(PO4)4

data_[Fe5P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.1788] _cell_length_b [8.0485] _cell_length_c [8.3917] _cell_a...

0.571

0.018

0.2235

0.0243

MP

CaSi2WO6

data_[Ca4Si8W4O24] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.6984] _cell_length_b [8.902...

1.322

0.374

0.368

0.2433

MP

LiSbCSO7

data_[Li2Sb2C2S2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sb 2.0500 1.4500 0.8300 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [...

4.058

0.068

0.6213

0.069

MP

Fe5P6WO24

data_[Fe15P18W3O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.7070] _cell_length_b [8.7070] ...

2.338

0.021

0.4902

0.0275

MP

InRe2C10BrO10

data_[In8Re16C80Br8O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Re 1.9000 1.3500 0.7125 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 [P2_1/c] _cell_leng...

2.404

0.229

0.4966

0.1722

MP

KNaNdNbO5

data_[K2Na2Nd2Nb2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 Nd 1.1400 1.8500 1.2765 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length...

3.443

0.0

0.5812

0.0

MP

Pb3(ClO)2

data_[Pb12Cl8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.1251] _cell_length_b [5.9461] _cell_length_c [9.8155] _ce...

2.429

0.0

0.4989

0.0

MP

K2CdP2O7

data_[K8Cd4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cd 1.6900 1.5500 1.0900 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 [9.9066] _cell_length_b [5.6435] ...

3.779

0.0

0.6038

0.0

MP

Li4V5O9F

data_[Li4V5O9F1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1858] _cell_length_b [5.2339] _ce...

1.72

0.066

0.4224

0.0675

MP

Ta2CdO6

data_[Ta8Cd4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [14.9862] _cell_length_b [6.0025] _cell_length_c [5.1816] _ce...

4.02

0.0

0.619

0.0

MP

MnCo3O8

data_[Mn2Co6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [5.6263] _cell_length_b [5.6263] _cell_length_c [8.7089] _c...

0.815

0.045

0.2791

0.0501

MP

Fe3C9(SO5)2

data_[Fe6C18S4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 C 2.5500 0.7000 0.3000 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 [9.1090] _cell_length_b [9.5897] ...

2.164

0.713

0.4727

0.371

MP

WO3

data_[W8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.7189] _cell_length_b [7.6802] _cell_length_c [7.7510] _cell_angle_alpha [90.0000] _cell_an...

1.371

0.007

0.3753

0.0115

MP

Li2AgAs

data_[Li4Ag2As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ag 1.9300 1.6000 1.0867 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.1463] _cell_length_b [10.8979] _cell_length_c [15.3977] ...

0.915

1.272

0.299

0.5199

MP

LiFe4(PO4)3

data_[Li4Fe16P12O48] 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 [Pccn] _cell_length_a [8.3578] _cell_length_b [13.6...

3.222

0.056

0.5653

0.0594

MP

Ba(DyTe2)2

data_[Ba4Dy8Te16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Dy 1.2200 1.7500 1.1310 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.8222] _cell_length_b [4.4887] _cell_length_c [16.3153] ...

1.294

0.0

0.3638

0.0

MP

Ba8Si6Sn

data_[Ba32Si24Sn4] 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 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [8.8348] _cell_length_b [8.8267] _cell_length_c [27.4330] ...

0.259

0.0

0.1304

0.0

MP

AuCl3

data_[Au4Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Au 2.5400 1.3500 1.0700 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.1107] _cell_length_b [11.9099] _cell_length_c [6.9298] _cell_angle_alpha [90.0000] _ce...

1.361

0.0

0.3739

0.0

MP

LiMn5O10

data_[Li2Mn10O20] 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 [P-1] _cell_length_a [5.0258] _cell_length_b [7.6744] _cell_length_c [10.1695] _ce...

0.543

0.098

0.2164

0.0914

MP

Be3N2

data_[Be9N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [2.8477] _cell_length_b [2.8477] _cell_length_c [14.6328] _cell_angle_alpha [90.0000] _cell_ang...

2.764

0.053

0.5289

0.0569