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	Cu2H6C3N4O	data_[Cu8H24C12N16O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a...	2.148	0.189	0.471	0.1497
MP	Li10Si(PS6)2	data_[Li20Si2P4S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Si 1.9000 1.1000 0.5400 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P4_2mc] _cell_length_a [8.7709] _cell_length_b [8.7...	2.61	0.018	0.5155	0.0243
MP	TaBi4ClO8	data_[Ta1Bi4Cl1O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Bi 2.0200 1.6000 1.0350 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.9071] _cell_length_b [3.9...	1.007	0.07	0.3161	0.0706
MP	Na2Dy2B2TeO10	data_[Na4Dy4B4Te2O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Dy 1.2200 1.7500 1.1310 B 2.0400 0.8500 0.4100 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length...	2.888	0.0	0.5392	0.0
MP	Rb2O	data_[Rb16O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [6.8798] _cell_length_b [13.5117] _cell_length_c [7.0692] _cell_angle_alpha [90.0000] _cell_a...	1.345	0.014	0.3715	0.0199
MP	Mg3Si4O13	data_[Mg6Si8O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [5.3319] _cell_length_b [9.3531] _cell_length_c [10.3307] _cell...	0.049	0.218	0.0371	0.1661
MP	Li2VAsCO7	data_[Li4V2As2C2O14] 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 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a...	2.116	0.041	0.4677	0.0465
MP	Gd3Sb4Au3	data_[Gd12Sb16Au12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Sb 2.0500 1.4500 0.8300 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [I-43d] _cell_length_a [10.0051] _cell_length_b [10.0051] _cell_length_c [10.00...	0.498	0.0	0.2045	0.0
MP	KMnIO6	data_[K8Mn8I8O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mn 1.5500 1.4000 0.6483 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [5.1039] _cell_length_b [8.8979] _c...	1.686	0.006	0.4181	0.0101
MP	SrNdCoO4	data_[Sr2Nd2Co2O8] 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 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [3.8230] _cell_length_b [3.823...	0.622	0.019	0.2361	0.0254
MP	V3H6CNO7	data_[V12H24C4N4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [...	1.99	0.153	0.454	0.128
MP	LiP3PbO9	data_[Li2P6Pb2O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 P 2.1900 1.0000 0.5500 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 [6.8679] _cell_length_b [7.3616]...	4.76	0.01	0.6608	0.0152
MP	Na3InAs2	data_[Na24In8As16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 In 1.7800 1.5500 0.9400 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.8020] _cell_length_b [7.6037] _cell_length_c [15.8913...	0.981	0.0	0.3114	0.0
MP	Cs2HfI6	data_[Cs8Hf4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Hf 1.3000 1.5500 0.8500 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [12.0045] _cell_length_b [12.0045] _cell_length_c [12.0045] ...	2.206	0.0	0.477	0.0
MP	PrF3	data_[Pr6F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P6_3/mcm] _cell_length_a [7.1574] _cell_length_b [7.1574] _cell_length_c [7.1405] _cell_angle_alpha [90.0000] _cel...	5.456	0.164	0.6951	0.1348
MP	Ti3Sn7O20	data_[Ti6Sn14O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [6.7501] _cell_length_b [6.7550] _cell_length_c [15.8664] _c...	1.744	0.039	0.4253	0.0447
MP	Li2VCrP2(O4F)2	data_[Li6V3Cr3P6O24F6] 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 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_na...	1.978	0.0	0.4527	0.0
MP	BiH24C6(I2N)3	data_[Bi12H288C72I72N36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a...	2.875	0.07	0.5382	0.0706
MP	Mg(SbO3)2	data_[Mg2Sb4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [4.7289] _cell_length_b [4.7289] _cell_length_c [9.3854] ...	1.037	0.0	0.3215	0.0
MP	Ca6La4Ti5Cr5O30	data_[Ca12La8Ti10Cr10O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 La 1.1000 1.9500 1.1720 Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_lengt...	0.329	0.026	0.1544	0.0325
MP	Ho6H40N8O49	data_[Ho6H40N8O49] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 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 [P-1] _cell_length_a [10.1969] _cell_length_b [10.2385...	2.941	0.0	0.5435	0.0
MP	KC(NO2)3	data_[K8C8N24O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1md] _cell_length_a [12.9258] _cell_length_b [12.925...	1.701	0.514	0.42	0.3012
MP	Na2AgAsCl6	data_[Na8Ag4As4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ag 1.9300 1.6000 1.0867 As 2.1800 1.1500 0.6600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.3181] _cell_length_b [...	1.49	0.144	0.3923	0.1224
MP	V2FeO6	data_[V8Fe4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.1680] _cell_length_b [9.2903] _cell_length_c [5.9168] _cell...	1.69	0.034	0.4186	0.0402
MP	CsTaCl6	data_[Cs4Ta4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ta 1.5000 1.4500 0.8200 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.6363] _cell_length_b [6.6506] _cell_length_c [12.8396] ...	2.908	0.0	0.5409	0.0
MP	Li3AlCrO5	data_[Li12Al4Cr4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [5.4221] _cell_length_b [1...	2.026	0.056	0.458	0.0594
MP	K3Bi(PS4)2	data_[K12Bi4P8S32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Bi 2.0200 1.6000 1.0350 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [6.9528] _cell_length_b [9...	2.115	0.0	0.4676	0.0
MP	BaAl3(PO7)2	data_[Ba3Al9P6O42] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.0554] _cell_length_b [7.0554...	0.003	0.307	0.004	0.2122
MP	Y2Sb2O7	data_[Y12Sb12O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3_121] _cell_length_a [7.5594] _cell_length_b [7.5594] _cell_length_c [18.5729] _...	1.917	0.081	0.4458	0.079
MP	Tl2SnTe3	data_[Tl16Sn8Te24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Sn 1.9600 1.4500 0.8300 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.6388] _cell_length_b [22.6467] _cell_length_c [8.7969] ...	0.585	0.009	0.2271	0.014
MP	TaV(Cu3Se4)2	data_[Ta1V1Cu6Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 V 1.6300 1.3500 0.7775 Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [7.9983] _cell_length_b [7.99...	1.024	0.001	0.3192	0.0024
MP	Nb6Cd(Br8O9)2	data_[Nb48Cd8Br128O144] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [21.5279] _cell_length_b...	0.381	1.076	0.1709	0.4736
MP	Ba15(ZrSe3)14	data_[Ba90Zr84Se252] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Zr 1.3300 1.5500 0.8600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [12.6309] _cell_length_b [12.6309] _cell_length_c [92.07...	0.303	0.0	0.1458	0.0
MP	Gd2VFeO6	data_[Gd4V2Fe2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 V 1.6300 1.3500 0.7775 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 [5.4226] _cell_length_b [5.75...	1.607	0.001	0.408	0.0024
MP	CsPr(WO4)2	data_[Cs4Pr4W8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Pr 1.1300 1.8500 1.0600 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 [11.0894] _cell_length_b [11.05...	3.568	0.0	0.5898	0.0
MP	LaZrTa3O11	data_[La4Zr4Ta12O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [6.3658] _cell_length_b [10.98...	3.337	0.0	0.5737	0.0
MP	Na3NiAsCO7	data_[Na6Ni2As2C2O14] 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 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length...	3.534	0.0	0.5875	0.0
MP	Sr4Li(BN2)3	data_[Sr8Li2B6N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Li 0.9800 1.4500 0.9000 B 2.0400 0.8500 0.4100 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Im-3m] _cell_length_a [7.4931] _cell_length_b [7.493...	2.069	0.0	0.4627	0.0
MP	LuH24C4N4Cl7	data_[Lu2H48C8N8Cl14] 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 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2] _cell_length_a [9...	5.014	0.042	0.6738	0.0474
MP	Rb2FeH12(SO7)2	data_[Rb4Fe2H24S4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Fe 1.8300 1.4000 0.8525 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...	4.048	0.0	0.6207	0.0
MP	BaNaH6Ir	data_[Ba4Na4H24Ir4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Na 0.9300 1.8000 1.1600 H 2.2000 0.2500 0.0000 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.8451] _cell_length_b [7.8...	3.223	0.0	0.5653	0.0
MP	CsGeBr3	data_[Cs1Ge1Br3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ge 2.0100 1.2500 0.7700 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [5.6128] _cell_length_b [5.6128] _cell_length_c [5.6128] _c...	0.761	0.017	0.2677	0.0232
MP	B5H9	data_[B10H18] 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 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [7.3003] _cell_length_b [7.3003] _cell_length_c [5.3331] _cell_angle_alpha [90.0000] _cell_ang...	5.709	0.028	0.7065	0.0345
MP	LiNbZnO4	data_[Li4Nb4Zn4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_122] _cell_length_a [6.1719] _cell_length_b [6....	2.778	0.003	0.5301	0.0058
MP	Li4Ti4Mn4VO18	data_[Li8Ti8Mn8V2O36] 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 Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a...	0.849	0.089	0.286	0.0849
MP	KFeF4	data_[K8Fe8F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.4599] _cell_length_b [7.7291] _cell_length_c [7.9342] _cell...	2.709	0.0	0.5242	0.0
MP	Li5VCr3O8	data_[Li15V3Cr9O24] 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 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.0135] _cell_length_b [6.013...	0.683	0.096	0.2504	0.09
MP	Fe3C9SeSO9	data_[Fe6C18Se2S2O18] 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 Se 2.5500 1.1500 1.0133 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 [...	0.961	0.681	0.3077	0.3605
MP	Co3Bi(CO)9	data_[Co6Bi2C18O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Bi 2.0200 1.6000 1.0350 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [11.2850] _cell_length_b [11...	2.225	0.406	0.479	0.2573
MP	Eu2B5BrO9	data_[Eu8B20Br4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 B 2.0400 0.8500 0.4100 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnn2] _cell_length_a [11.4970] _cell_length_b [11.6...	0.799	0.0	0.2758	0.0
MP	SrZrSe3	data_[Sr4Zr4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Zr 1.3300 1.5500 0.8600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.0631] _cell_length_b [3.9930] _cell_length_c [14.6558] _...	0.167	0.027	0.0947	0.0335
MP	Sr2CuBrO2	data_[Sr6Cu3Br3O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cu 1.9000 1.3500 0.8200 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.0751] _cell_length_b [4.075...	2.344	0.0	0.4908	0.0
MP	Na2MgFe2(PO4)3	data_[Na8Mg4Fe8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mg 1.3100 1.5000 0.8600 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_...	0.323	0.013	0.1524	0.0188
MP	Cd2GeO4	data_[Cd8Ge4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.4069] _cell_length_b [6.6939] _cell_length_c [5.2881] _ce...	1.092	0.0	0.3311	0.0
MP	CaSi2SnO6	data_[Ca4Si8Sn4O24] 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 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.7088] _cell_length_b [9.7...	2.877	0.111	0.5383	0.1005
MP	ZnAu2(CN)4	data_[Zn6Au12C24N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Au 2.5400 1.3500 1.0700 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_422] _cell_length_a [8.7761] _cell_length_b [8....	2.788	0.199	0.5309	0.1555
MP	Dy(NO5)3	data_[Dy2N6O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9773] _cell_length_b [8.8716] _cell_length_c [11.3044] _cell_...	0.363	0.519	0.1653	0.3031
MP	K4WO5	data_[K24W6O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.3910] _cell_length_b [10.3934] _cell_length_c [17.2294] _cell_...	3.38	0.0	0.5768	0.0
MP	Ag2HgO2	data_[Ag8Hg4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Hg 2.0000 1.5000 1.2450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_32_12] _cell_length_a [6.3890] _cell_length_b [6.3890] _cell_length_c [8.4769] _...	0.41	0.0	0.1796	0.0
MP	DyTaO4	data_[Dy4Ta4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.0687] _cell_length_b [11.0667] _cell_length_c [5.1121] _ce...	4.128	0.005	0.6255	0.0088
MP	VAs2Pb2O9	data_[V4As8Pb8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 As 2.1800 1.1500 0.6600 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.0944] _cell_length_b [16.7...	1.684	0.02	0.4179	0.0264
MP	RbSm(CO3)2	data_[Rb4Sm4C8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sm 1.1700 1.8500 1.2290 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.8960] _cell_length_b [9.6827...	4.198	0.0	0.6297	0.0
MP	IF3	data_[I4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ I 2.6600 1.4000 1.2733 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.1244] _cell_length_b [6.7551] _cell_length_c [4.7286] _cell_angle_alpha [90.0000] _cell_angl...	2.113	0.091	0.4674	0.0864
MP	KLi4CrO5	data_[K2Li8Cr2O10] 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 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.6083] _cell_length_b [5.8741]...	1.06	0.078	0.3256	0.0768
MP	NaO3	data_[Na2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [3.6402] _cell_length_b [5.3713] _cell_length_c [5.6947] _cell_angle_alpha [90.0000] _cell_ang...	0.606	0.084	0.2322	0.0813
MP	TlFeO2	data_[Tl6Fe6O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.0843] _cell_length_b [6.0843] _cell_length_c [14.9961] _ce...	1.042	0.205	0.3224	0.1589
MP	Fe4AgP(XeF3)2	data_[Fe16Ag4P4Xe8F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Ag 1.9300 1.6000 1.0867 P 2.1900 1.0000 0.5500 Xe 2.6000 2.16 0.6200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I-4c2] _cell_length_a...	0.064	0.924	0.0457	0.4337
MP	LiFeO3	data_[Li24Fe24O72] 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 [Cm] _cell_length_a [15.1436] _cell_length_b [8.5584] _cell_length_c [9.8954] _ce...	0.307	0.131	0.1471	0.114
MP	PrTl(WO4)2	data_[Pr4Tl4W8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Tl 1.6200 1.9000 1.3325 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 [11.0533] _cell_length_b [10.95...	3.331	0.0	0.5732	0.0
MP	K2PAu	data_[K8P4Au4] 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 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [9.8994] _cell_length_b [7.4132] _cell_length_c [6.3564] _cell_a...	0.952	0.0	0.306	0.0
MP	Na7Fe3O8	data_[Na14Fe6O16] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.0049] _cell_length_b [8.4450] _cell_length_c [11.5087] _ce...	2.017	0.022	0.457	0.0285
MP	Cs3Bi2Br9	data_[Cs12Bi8Br36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Bi 2.0200 1.6000 1.0350 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [14.1656] _cell_length_b [8.2060] _cell_length_c [20.2536]...	2.781	0.001	0.5303	0.0024
MP	Na2Ca2Al6Si9(H8O19)2	data_[Na16Ca16Al48Si72H128O304] 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 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_spa...	4.809	0.004	0.6634	0.0073
MP	K2PrN5O17	data_[K16Pr8N40O136] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Pr 1.1300 1.8500 1.0600 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [11.4570] _cell_length_b [21.5...	0.321	0.171	0.1518	0.139
MP	Mg10Si3(H2O9)2	data_[Mg20Si6H8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 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 [Pnnm] _cell_length_a [5.1637] _cell_length_b [14.13...	5.282	0.033	0.6869	0.0392
MP	ReCl4O	data_[Re8Cl32O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [13.5617] _cell_length_b [6.1527] _cell_length_c [19.7499] ...	0.661	0.0	0.2453	0.0
MP	Li2ZnGeS4	data_[Li4Zn2Ge2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Zn 1.6500 1.3500 0.8800 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [7.5256] _cell_length_b [6.8...	2.185	0.0	0.4749	0.0
MP	CoSb(PO4)2	data_[Co4Sb4P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Sb 2.0500 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [10.0859] _cell_length_b [6.1...	0.478	0.075	0.199	0.0745
MP	Nb3ClO7	data_[Nb12Cl4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [15.8617] _cell_length_b [11.0792] _cell_length_c [3.9080] _...	2.059	0.0	0.4616	0.0
MP	LaH6S3(NO3)3	data_[La2H12S6N6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [1...	4.376	0.089	0.6399	0.0849
MP	ZnH6Cl2O3	data_[Zn4H24Cl8O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.7184] _cell_length_b [6.7484...	4.493	0.032	0.6465	0.0383
MP	Cd2As2O7	data_[Cd4As4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.1139] _cell_length_b [9.2451] _cell_length_c [4.9589] _cel...	1.592	0.013	0.406	0.0188
MP	YGaPd2	data_[Y2Ga2Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ga 1.8100 1.3000 0.7600 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.6852] _cell_length_b [11.9109] _cell_length_c [16.8401] _ce...	0.232	2.158	0.1205	0.6809
MP	Zn2CoP2(H2O3)4	data_[Zn8Co4P8H32O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Co 1.8800 1.3500 0.7683 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 [Pnma] _cell_length_a ...	3.339	0.03	0.5738	0.0364
MP	Li3Bi2(PO4)3	data_[Li12Bi8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Bi 2.0200 1.6000 1.0350 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [15.3363] _cell_length_b [9.5...	3.604	0.084	0.5923	0.0813
MP	CuP(HO)5	data_[Cu4P4H20O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [6.7142] _cell_length_b [7...	0.055	0.163	0.0406	0.1342
MP	Nb2TcW	data_[Nb4Tc2W2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tc 1.9000 1.3500 0.7417 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.1835] _cell_length_b [10.6436] _cell_length_c [16.1613] _ce...	0.075	4.605	0.0516	0.9413
MP	Na2Ti7O15	data_[Na8Ti28O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [15.3478] _cell_length_b [3.7670] _cell_length_c [21.4150] _ce...	2.699	0.014	0.5233	0.0199
MP	Ba(AgO)2	data_[Ba4Ag8O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [6.0014] _cell_length_b [6.0014] _cell_length_c [10.9004] ...	1.727	0.002	0.4232	0.0042
MP	Li2FeBPO7	data_[Li4Fe2B2P2O14] 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 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 [P2_1/m] _cell_length_a...	0.238	0.373	0.1227	0.2429
MP	Zn3(PO4)2	data_[Zn12P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [C2/c] _cell_length_a [8.3259] _cell_length_b [5.6701] _cell_length_c [15.5240] _cel...	3.421	0.0	0.5797	0.0
MP	U(RhO3)2	data_[U2Rh4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [4.8239] _cell_length_b [4.8239] _cell_length_c [9.4402] _c...	0.429	0.0	0.1852	0.0
MP	K2VCo6Cu2As5O24	data_[K2V1Co6Cu2As5O24] 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 Co 1.8800 1.3500 0.7683 Cu 1.9000 1.3500 0.8200 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_...	0.438	0.0	0.1878	0.0
MP	Li2VPO4F	data_[Li16V8P8O32F8] 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 [Pnma] _cell_length_a [1...	2.86	0.017	0.5369	0.0232
MP	CuH4C2NCl3O	data_[Cu2H8C4N2Cl6O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_nam...	0.118	0.552	0.073	0.3155
MP	Li3Cr(CoO3)2	data_[Li3Cr1Co2O6] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.9328] _cell_length_b [5.9140...	0.456	0.06	0.1929	0.0626
MP	KEuPSe4	data_[K4Eu4P4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Eu 1.2000 1.8500 1.1985 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [17.6099] _cell_length_b [7.045...	0.055	0.006	0.0406	0.0101
MP	KCN3O2	data_[K4C4N12O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.9713] _cell_length_b [7.7888] ...	3.352	0.607	0.5748	0.3353
MP	Ag2Hg2(TeO4)3	data_[Ag4Hg4Te6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Hg 2.0000 1.5000 1.2450 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.5804] _cell_length_b [6....	0.161	0.0	0.0922	0.0
MP	Rb2MnCl4	data_[Rb4Mn2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Mn 1.5500 1.4000 0.6483 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.1103] _cell_length_b [5.1103] _cell_length_c [16.2931] ...	1.288	0.0	0.3629	0.0

MP

Cu2H6C3N4O

data_[Cu8H24C12N16O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a...

2.148

0.189

0.471

0.1497

MP

Li10Si(PS6)2

data_[Li20Si2P4S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Si 1.9000 1.1000 0.5400 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P4_2mc] _cell_length_a [8.7709] _cell_length_b [8.7...

2.61

0.018

0.5155

0.0243

MP

TaBi4ClO8

data_[Ta1Bi4Cl1O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Bi 2.0200 1.6000 1.0350 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.9071] _cell_length_b [3.9...

1.007

0.07

0.3161

0.0706

MP

Na2Dy2B2TeO10

data_[Na4Dy4B4Te2O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Dy 1.2200 1.7500 1.1310 B 2.0400 0.8500 0.4100 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length...

2.888

0.0

0.5392

0.0

MP

Rb2O

data_[Rb16O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [6.8798] _cell_length_b [13.5117] _cell_length_c [7.0692] _cell_angle_alpha [90.0000] _cell_a...

1.345

0.014

0.3715

0.0199

MP

Mg3Si4O13

data_[Mg6Si8O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [5.3319] _cell_length_b [9.3531] _cell_length_c [10.3307] _cell...

0.049

0.218

0.0371

0.1661

MP

Li2VAsCO7

data_[Li4V2As2C2O14] 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 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a...

2.116

0.041

0.4677

0.0465

MP

Gd3Sb4Au3

data_[Gd12Sb16Au12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Sb 2.0500 1.4500 0.8300 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [I-43d] _cell_length_a [10.0051] _cell_length_b [10.0051] _cell_length_c [10.00...

0.498

0.0

0.2045

0.0

MP

KMnIO6

data_[K8Mn8I8O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mn 1.5500 1.4000 0.6483 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [5.1039] _cell_length_b [8.8979] _c...

1.686

0.006

0.4181

0.0101

MP

SrNdCoO4

data_[Sr2Nd2Co2O8] 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 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [3.8230] _cell_length_b [3.823...

0.622

0.019

0.2361

0.0254

MP

V3H6CNO7

data_[V12H24C4N4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [...

1.99

0.153

0.454

0.128

MP

LiP3PbO9

data_[Li2P6Pb2O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 P 2.1900 1.0000 0.5500 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 [6.8679] _cell_length_b [7.3616]...

4.76

0.01

0.6608

0.0152

MP

Na3InAs2

data_[Na24In8As16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 In 1.7800 1.5500 0.9400 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.8020] _cell_length_b [7.6037] _cell_length_c [15.8913...

0.981

0.0

0.3114

0.0

MP

Cs2HfI6

data_[Cs8Hf4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Hf 1.3000 1.5500 0.8500 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [12.0045] _cell_length_b [12.0045] _cell_length_c [12.0045] ...

2.206

0.0

0.477

0.0

MP

PrF3

data_[Pr6F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P6_3/mcm] _cell_length_a [7.1574] _cell_length_b [7.1574] _cell_length_c [7.1405] _cell_angle_alpha [90.0000] _cel...

5.456

0.164

0.6951

0.1348

MP

Ti3Sn7O20

data_[Ti6Sn14O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [6.7501] _cell_length_b [6.7550] _cell_length_c [15.8664] _c...

1.744

0.039

0.4253

0.0447

MP

Li2VCrP2(O4F)2

data_[Li6V3Cr3P6O24F6] 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 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_na...

1.978

0.0

0.4527

0.0

MP

BiH24C6(I2N)3

data_[Bi12H288C72I72N36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a...

2.875

0.07

0.5382

0.0706

MP

Mg(SbO3)2

data_[Mg2Sb4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [4.7289] _cell_length_b [4.7289] _cell_length_c [9.3854] ...

1.037

0.0

0.3215

0.0

MP

Ca6La4Ti5Cr5O30

data_[Ca12La8Ti10Cr10O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 La 1.1000 1.9500 1.1720 Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_lengt...

0.329

0.026

0.1544

0.0325

MP

Ho6H40N8O49

data_[Ho6H40N8O49] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 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 [P-1] _cell_length_a [10.1969] _cell_length_b [10.2385...

2.941

0.0

0.5435

0.0

MP

KC(NO2)3

data_[K8C8N24O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1md] _cell_length_a [12.9258] _cell_length_b [12.925...

1.701

0.514

0.42

0.3012

MP

Na2AgAsCl6

data_[Na8Ag4As4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ag 1.9300 1.6000 1.0867 As 2.1800 1.1500 0.6600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.3181] _cell_length_b [...

1.49

0.144

0.3923

0.1224

MP

V2FeO6

data_[V8Fe4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.1680] _cell_length_b [9.2903] _cell_length_c [5.9168] _cell...

1.69

0.034

0.4186

0.0402

MP

CsTaCl6

data_[Cs4Ta4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ta 1.5000 1.4500 0.8200 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.6363] _cell_length_b [6.6506] _cell_length_c [12.8396] ...

2.908

0.0

0.5409

0.0

MP

Li3AlCrO5

data_[Li12Al4Cr4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [5.4221] _cell_length_b [1...

2.026

0.056

0.458

0.0594

MP

K3Bi(PS4)2

data_[K12Bi4P8S32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Bi 2.0200 1.6000 1.0350 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [6.9528] _cell_length_b [9...

2.115

0.0

0.4676

0.0

MP

BaAl3(PO7)2

data_[Ba3Al9P6O42] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.0554] _cell_length_b [7.0554...

0.003

0.307

0.004

0.2122

MP

Y2Sb2O7

data_[Y12Sb12O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3_121] _cell_length_a [7.5594] _cell_length_b [7.5594] _cell_length_c [18.5729] _...

1.917

0.081

0.4458

0.079

MP

Tl2SnTe3

data_[Tl16Sn8Te24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Sn 1.9600 1.4500 0.8300 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.6388] _cell_length_b [22.6467] _cell_length_c [8.7969] ...

0.585

0.009

0.2271

0.014

MP

TaV(Cu3Se4)2

data_[Ta1V1Cu6Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 V 1.6300 1.3500 0.7775 Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [7.9983] _cell_length_b [7.99...

1.024

0.001

0.3192

0.0024

MP

Nb6Cd(Br8O9)2

data_[Nb48Cd8Br128O144] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cd 1.6900 1.5500 1.0900 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [21.5279] _cell_length_b...

0.381

1.076

0.1709

0.4736

MP

Ba15(ZrSe3)14

data_[Ba90Zr84Se252] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Zr 1.3300 1.5500 0.8600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [12.6309] _cell_length_b [12.6309] _cell_length_c [92.07...

0.303

0.0

0.1458

0.0

MP

Gd2VFeO6

data_[Gd4V2Fe2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 V 1.6300 1.3500 0.7775 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 [5.4226] _cell_length_b [5.75...

1.607

0.001

0.408

0.0024

MP

CsPr(WO4)2

data_[Cs4Pr4W8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Pr 1.1300 1.8500 1.0600 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 [11.0894] _cell_length_b [11.05...

3.568

0.0

0.5898

0.0

MP

LaZrTa3O11

data_[La4Zr4Ta12O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [6.3658] _cell_length_b [10.98...

3.337

0.0

0.5737

0.0

MP

Na3NiAsCO7

data_[Na6Ni2As2C2O14] 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 As 2.1800 1.1500 0.6600 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length...

3.534

0.0

0.5875

0.0

MP

Sr4Li(BN2)3

data_[Sr8Li2B6N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Li 0.9800 1.4500 0.9000 B 2.0400 0.8500 0.4100 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Im-3m] _cell_length_a [7.4931] _cell_length_b [7.493...

2.069

0.0

0.4627

0.0

MP

LuH24C4N4Cl7

data_[Lu2H48C8N8Cl14] 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 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2] _cell_length_a [9...

5.014

0.042

0.6738

0.0474

MP

Rb2FeH12(SO7)2

data_[Rb4Fe2H24S4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Fe 1.8300 1.4000 0.8525 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...

4.048

0.0

0.6207

0.0

MP

BaNaH6Ir

data_[Ba4Na4H24Ir4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Na 0.9300 1.8000 1.1600 H 2.2000 0.2500 0.0000 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.8451] _cell_length_b [7.8...

3.223

0.0

0.5653

0.0

MP

CsGeBr3

data_[Cs1Ge1Br3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ge 2.0100 1.2500 0.7700 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [5.6128] _cell_length_b [5.6128] _cell_length_c [5.6128] _c...

0.761

0.017

0.2677

0.0232

MP

B5H9

data_[B10H18] 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 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [7.3003] _cell_length_b [7.3003] _cell_length_c [5.3331] _cell_angle_alpha [90.0000] _cell_ang...

5.709

0.028

0.7065

0.0345

MP

LiNbZnO4

data_[Li4Nb4Zn4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_122] _cell_length_a [6.1719] _cell_length_b [6....

2.778

0.003

0.5301

0.0058

MP

Li4Ti4Mn4VO18

data_[Li8Ti8Mn8V2O36] 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 Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a...

0.849

0.089

0.286

0.0849

MP

KFeF4

data_[K8Fe8F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.4599] _cell_length_b [7.7291] _cell_length_c [7.9342] _cell...

2.709

0.0

0.5242

0.0

MP

Li5VCr3O8

data_[Li15V3Cr9O24] 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 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.0135] _cell_length_b [6.013...

0.683

0.096

0.2504

0.09

MP

Fe3C9SeSO9

data_[Fe6C18Se2S2O18] 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 Se 2.5500 1.1500 1.0133 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 [...

0.961

0.681

0.3077

0.3605

MP

Co3Bi(CO)9

data_[Co6Bi2C18O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Bi 2.0200 1.6000 1.0350 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [11.2850] _cell_length_b [11...

2.225

0.406

0.479

0.2573

MP

Eu2B5BrO9

data_[Eu8B20Br4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 B 2.0400 0.8500 0.4100 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnn2] _cell_length_a [11.4970] _cell_length_b [11.6...

0.799

0.0

0.2758

0.0

MP

SrZrSe3

data_[Sr4Zr4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Zr 1.3300 1.5500 0.8600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.0631] _cell_length_b [3.9930] _cell_length_c [14.6558] _...

0.167

0.027

0.0947

0.0335

MP

Sr2CuBrO2

data_[Sr6Cu3Br3O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cu 1.9000 1.3500 0.8200 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.0751] _cell_length_b [4.075...

2.344

0.0

0.4908

0.0

MP

Na2MgFe2(PO4)3

data_[Na8Mg4Fe8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mg 1.3100 1.5000 0.8600 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_...

0.323

0.013

0.1524

0.0188

MP

Cd2GeO4

data_[Cd8Ge4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.4069] _cell_length_b [6.6939] _cell_length_c [5.2881] _ce...

1.092

0.0

0.3311

0.0

MP

CaSi2SnO6

data_[Ca4Si8Sn4O24] 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 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.7088] _cell_length_b [9.7...

2.877

0.111

0.5383

0.1005

MP

ZnAu2(CN)4

data_[Zn6Au12C24N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Au 2.5400 1.3500 1.0700 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_422] _cell_length_a [8.7761] _cell_length_b [8....

2.788

0.199

0.5309

0.1555

MP

Dy(NO5)3

data_[Dy2N6O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9773] _cell_length_b [8.8716] _cell_length_c [11.3044] _cell_...

0.363

0.519

0.1653

0.3031

MP

K4WO5

data_[K24W6O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.3910] _cell_length_b [10.3934] _cell_length_c [17.2294] _cell_...

3.38

0.0

0.5768

0.0

MP

Ag2HgO2

data_[Ag8Hg4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Hg 2.0000 1.5000 1.2450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_32_12] _cell_length_a [6.3890] _cell_length_b [6.3890] _cell_length_c [8.4769] _...

0.41

0.0

0.1796

0.0

MP

DyTaO4

data_[Dy4Ta4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.0687] _cell_length_b [11.0667] _cell_length_c [5.1121] _ce...

4.128

0.005

0.6255

0.0088

MP

VAs2Pb2O9

data_[V4As8Pb8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 As 2.1800 1.1500 0.6600 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.0944] _cell_length_b [16.7...

1.684

0.02

0.4179

0.0264

MP

RbSm(CO3)2

data_[Rb4Sm4C8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sm 1.1700 1.8500 1.2290 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.8960] _cell_length_b [9.6827...

4.198

0.0

0.6297

0.0

MP

IF3

data_[I4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ I 2.6600 1.4000 1.2733 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.1244] _cell_length_b [6.7551] _cell_length_c [4.7286] _cell_angle_alpha [90.0000] _cell_angl...

2.113

0.091

0.4674

0.0864

MP

KLi4CrO5

data_[K2Li8Cr2O10] 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 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.6083] _cell_length_b [5.8741]...

1.06

0.078

0.3256

0.0768

MP

NaO3

data_[Na2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [3.6402] _cell_length_b [5.3713] _cell_length_c [5.6947] _cell_angle_alpha [90.0000] _cell_ang...

0.606

0.084

0.2322

0.0813

MP

TlFeO2

data_[Tl6Fe6O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.0843] _cell_length_b [6.0843] _cell_length_c [14.9961] _ce...

1.042

0.205

0.3224

0.1589

MP

Fe4AgP(XeF3)2

data_[Fe16Ag4P4Xe8F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Ag 1.9300 1.6000 1.0867 P 2.1900 1.0000 0.5500 Xe 2.6000 2.16 0.6200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I-4c2] _cell_length_a...

0.064

0.924

0.0457

0.4337

MP

LiFeO3

data_[Li24Fe24O72] 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 [Cm] _cell_length_a [15.1436] _cell_length_b [8.5584] _cell_length_c [9.8954] _ce...

0.307

0.131

0.1471

0.114

MP

PrTl(WO4)2

data_[Pr4Tl4W8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Tl 1.6200 1.9000 1.3325 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 [11.0533] _cell_length_b [10.95...

3.331

0.0

0.5732

0.0

MP

K2PAu

data_[K8P4Au4] 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 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [9.8994] _cell_length_b [7.4132] _cell_length_c [6.3564] _cell_a...

0.952

0.0

0.306

0.0

MP

Na7Fe3O8

data_[Na14Fe6O16] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.0049] _cell_length_b [8.4450] _cell_length_c [11.5087] _ce...

2.017

0.022

0.457

0.0285

MP

Cs3Bi2Br9

data_[Cs12Bi8Br36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Bi 2.0200 1.6000 1.0350 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [14.1656] _cell_length_b [8.2060] _cell_length_c [20.2536]...

2.781

0.001

0.5303

0.0024

MP

Na2Ca2Al6Si9(H8O19)2

data_[Na16Ca16Al48Si72H128O304] 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 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_spa...

4.809

0.004

0.6634

0.0073

MP

K2PrN5O17

data_[K16Pr8N40O136] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Pr 1.1300 1.8500 1.0600 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [11.4570] _cell_length_b [21.5...

0.321

0.171

0.1518

0.139

MP

Mg10Si3(H2O9)2

data_[Mg20Si6H8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 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 [Pnnm] _cell_length_a [5.1637] _cell_length_b [14.13...

5.282

0.033

0.6869

0.0392

MP

ReCl4O

data_[Re8Cl32O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [13.5617] _cell_length_b [6.1527] _cell_length_c [19.7499] ...

0.661

0.0

0.2453

0.0

MP

Li2ZnGeS4

data_[Li4Zn2Ge2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Zn 1.6500 1.3500 0.8800 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [7.5256] _cell_length_b [6.8...

2.185

0.0

0.4749

0.0

MP

CoSb(PO4)2

data_[Co4Sb4P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Sb 2.0500 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [10.0859] _cell_length_b [6.1...

0.478

0.075

0.199

0.0745

MP

Nb3ClO7

data_[Nb12Cl4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [15.8617] _cell_length_b [11.0792] _cell_length_c [3.9080] _...

2.059

0.0

0.4616

0.0

MP

LaH6S3(NO3)3

data_[La2H12S6N6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [1...

4.376

0.089

0.6399

0.0849

MP

ZnH6Cl2O3

data_[Zn4H24Cl8O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.7184] _cell_length_b [6.7484...

4.493

0.032

0.6465

0.0383

MP

Cd2As2O7

data_[Cd4As4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.1139] _cell_length_b [9.2451] _cell_length_c [4.9589] _cel...

1.592

0.013

0.406

0.0188

MP

YGaPd2

data_[Y2Ga2Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ga 1.8100 1.3000 0.7600 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.6852] _cell_length_b [11.9109] _cell_length_c [16.8401] _ce...

0.232

2.158

0.1205

0.6809

MP

Zn2CoP2(H2O3)4

data_[Zn8Co4P8H32O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Co 1.8800 1.3500 0.7683 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 [Pnma] _cell_length_a ...

3.339

0.03

0.5738

0.0364

MP

Li3Bi2(PO4)3

data_[Li12Bi8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Bi 2.0200 1.6000 1.0350 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [15.3363] _cell_length_b [9.5...

3.604

0.084

0.5923

0.0813

MP

CuP(HO)5

data_[Cu4P4H20O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [6.7142] _cell_length_b [7...

0.055

0.163

0.0406

0.1342

MP

Nb2TcW

data_[Nb4Tc2W2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tc 1.9000 1.3500 0.7417 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.1835] _cell_length_b [10.6436] _cell_length_c [16.1613] _ce...

0.075

4.605

0.0516

0.9413

MP

Na2Ti7O15

data_[Na8Ti28O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [15.3478] _cell_length_b [3.7670] _cell_length_c [21.4150] _ce...

2.699

0.014

0.5233

0.0199

MP

Ba(AgO)2

data_[Ba4Ag8O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [6.0014] _cell_length_b [6.0014] _cell_length_c [10.9004] ...

1.727

0.002

0.4232

0.0042

MP

Li2FeBPO7

data_[Li4Fe2B2P2O14] 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 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 [P2_1/m] _cell_length_a...

0.238

0.373

0.1227

0.2429

MP

Zn3(PO4)2

data_[Zn12P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [C2/c] _cell_length_a [8.3259] _cell_length_b [5.6701] _cell_length_c [15.5240] _cel...

3.421

0.0

0.5797

0.0

MP

U(RhO3)2

data_[U2Rh4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [4.8239] _cell_length_b [4.8239] _cell_length_c [9.4402] _c...

0.429

0.0

0.1852

0.0

MP

K2VCo6Cu2As5O24

data_[K2V1Co6Cu2As5O24] 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 Co 1.8800 1.3500 0.7683 Cu 1.9000 1.3500 0.8200 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_...

0.438

0.0

0.1878

0.0

MP

Li2VPO4F

data_[Li16V8P8O32F8] 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 [Pnma] _cell_length_a [1...

2.86

0.017

0.5369

0.0232

MP

CuH4C2NCl3O

data_[Cu2H8C4N2Cl6O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_nam...

0.118

0.552

0.073

0.3155

MP

Li3Cr(CoO3)2

data_[Li3Cr1Co2O6] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.9328] _cell_length_b [5.9140...

0.456

0.06

0.1929

0.0626

MP

KEuPSe4

data_[K4Eu4P4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Eu 1.2000 1.8500 1.1985 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [17.6099] _cell_length_b [7.045...

0.055

0.006

0.0406

0.0101

MP

KCN3O2

data_[K4C4N12O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.9713] _cell_length_b [7.7888] ...

3.352

0.607

0.5748

0.3353

MP

Ag2Hg2(TeO4)3

data_[Ag4Hg4Te6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Hg 2.0000 1.5000 1.2450 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.5804] _cell_length_b [6....

0.161

0.0

0.0922

0.0

MP

Rb2MnCl4

data_[Rb4Mn2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Mn 1.5500 1.4000 0.6483 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.1103] _cell_length_b [5.1103] _cell_length_c [16.2931] ...

1.288

0.0

0.3629

0.0