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	NaB6H8S3O7	data_[Na2B12H16S6O14] 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 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8...	2.139	0.601	0.4701	0.3332
MP	Li3Mn2V5O12	data_[Li6Mn4V10O24] 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 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [5.3406] _cell_length_b [8.9968]...	0.474	0.096	0.1979	0.09
MP	Li3Sb(PO4)2	data_[Li6Sb2P4O16] 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 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 [4.7680] _cell_length_b [6.46...	3.243	0.061	0.5668	0.0635
MP	LiZnPO4	data_[Li18Zn18P18O72] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [13.8758] _cell_length_b [13.8...	4.285	0.003	0.6347	0.0058
MP	CrPbO4	data_[Cr4Pb4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [6.9227] _cell_length_b [7.6205] _cell_length_c [8.8600] _c...	2.052	0.0	0.4608	0.0
MP	NaCeTiNbO6F	data_[Na4Ce4Ti4Nb4O24F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ce 1.1200 1.8500 1.0800 Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_grou...	0.2	0.031	0.1082	0.0374
MP	Fe2O3	data_[Fe32O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.3655] _cell_length_b [6.0079] _cell_length_c [14.6092] _cell_angle_alpha [90.0000] _cell_a...	0.817	0.16	0.2795	0.1324
MP	TlPO4	data_[Tl4P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.4986] _cell_length_b [8.2704] _cell_length_c [7.2597] _cell_...	0.715	0.0	0.2576	0.0
MP	LiVZnO4	data_[Li18V18Zn18O72] 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 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [14.3977] _cell_length_b [14.3...	3.35	0.0	0.5746	0.0
MP	Sm3Sc2(FeO4)3	data_[Sm24Sc16Fe24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Sc 1.3600 1.6000 0.8850 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.7974] _cell_length_b ...	2.148	0.0	0.471	0.0
MP	Li2VP3O10	data_[Li8V4P12O40] 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 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.1464] _cell_length_b [7.99...	2.135	0.052	0.4697	0.056
MP	AgC3N3O2	data_[Ag32C96N96O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 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 [C2/c] _cell_length_a [29.8433] _cell_length_b [7.90...	2.329	0.55	0.4893	0.3147
MP	Na2LiTbCl6	data_[Na8Li4Tb4Cl24] 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 Tb 1.1000 1.7500 0.9815 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.2895] _cell_length_b [...	3.96	0.123	0.6153	0.1087
MP	Rb3DyF6	data_[Rb6Dy2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Dy 1.2200 1.7500 1.1310 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [7.2344] _cell_length_b [7.2344] _cell_length_c [9.5827] _c...	4.825	0.046	0.6642	0.0509
MP	BaMnGaF7	data_[Ba8Mn8Ga8F56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mn 1.5500 1.4000 0.6483 Ga 1.8100 1.3000 0.7600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [14.0100] _cell_length_b [5.3...	3.793	0.005	0.6047	0.0088
MP	Li10Sc9Fe(SiO3)20	data_[Li20Sc18Fe2Si40O120] 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 [C2] _cell_leng...	3.059	0.005	0.5529	0.0088
MP	Li2V3WO8	data_[Li8V12W4O32] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_332] _cell_length_a [8.6067] _cell_length_b [8.606...	1.771	0.006	0.4286	0.0101
MP	K(SbSe2)2	data_[K2Sb4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9351] _cell_length_b [7.0411] _cell_length_c [9.4691] _cell_...	1.117	0.0	0.3354	0.0
MP	H5PbC2SIN6	data_[H20Pb4C8S4I4N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Pb 2.3300 1.8000 1.1225 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 ] _symmetry_space_group_nam...	3.005	0.219	0.5486	0.1667
MP	Mg3TcH7	data_[Mg6Tc2H14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Tc 1.9000 1.3500 0.7417 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.8409] _cell_length_b [4.8409] _cell_length_c [10.5372]...	2.612	0.0	0.5157	0.0
MP	MnFe7(PO4)8	data_[Mn1Fe7P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [Pm] _cell_length_a [4.8904] _cell_length_b [11.9126]...	1.441	0.037	0.3854	0.0429
MP	CsClO3	data_[Cs2Cl2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.2127] _cell_length_b [6.1510] _cell_length_c [7.7831] _ce...	5.568	0.065	0.7002	0.0667
MP	Cs2NaCo(CN)6	data_[Cs4Na2Co2C12N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 Co 1.8800 1.3500 0.7683 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_lengt...	4.304	0.017	0.6358	0.0232
MP	Mg14ZnCdO16	data_[Mg14Zn1Cd1O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 Cd 1.6900 1.5500 1.0900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6107] _cell_length_b [8...	2.72	0.037	0.5251	0.0429
MP	Na2TiZn2GeO7	data_[Na16Ti8Zn16Ge8O56] 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 Zn 1.6500 1.3500 0.8800 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_leng...	3.098	0.0	0.5559	0.0
MP	Cs2Ni(NO3)4	data_[Cs4Ni2N8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ni 1.9100 1.3500 0.7400 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 [6.5104] _cell_length_b [7.8919]...	2.955	0.0	0.5446	0.0
MP	HgP2(PdO4)2	data_[Hg8P16Pd16O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 P 2.1900 1.0000 0.5500 Pd 2.2000 1.4000 0.8462 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [7.0825] _cell_length_b [11.5...	0.552	0.021	0.2187	0.0275
MP	K2TeBr6	data_[K4Te2Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Te 2.1000 1.4000 1.2933 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.6891] _cell_length_b [8.0399] _cell_length_c [13.2605] _...	2.336	0.0	0.49	0.0
MP	K3Sb5O14	data_[K12Sb20O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pba2] _cell_length_a [7.2780] _cell_length_b [24.6897] _cell_length_c [7.4614] _ce...	1.353	0.018	0.3727	0.0243
MP	Sr(BO4)2	data_[Sr8B16O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.3624] _cell_length_b [15.6621] _cell_length_c [10.6940] _...	0.225	0.547	0.1179	0.3136
MP	SiBr2	data_[Si20Br40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.0614] _cell_length_b [15.9756] _cell_length_c [16.1450] _cell_angle_alpha [90.0000] ...	2.743	0.039	0.5271	0.0447
MP	Li4MnCrO6	data_[Li16Mn4Cr4O24] 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 [P1] _cell_length_a [5.0224] _cell_length_b [8.687...	1.072	0.038	0.3277	0.0438
MP	BH11C4NClF4	data_[B2H22C8N2Cl2F8] 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 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name...	6.411	0.113	0.7359	0.1019
MP	Mn2Fe(CN)6	data_[Mn2Fe1C6N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Fe 1.8300 1.4000 0.8525 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-31m] _cell_length_a [6.0367] _cell_length_b [6.0367...	2.016	0.188	0.4569	0.1491
MP	Dy2Mo4O15	data_[Dy4Mo8O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.9203] _cell_length_b [9.7402] _cell_length_c [10.7162] _...	3.316	0.0	0.5722	0.0
MP	BiAsPbO5	data_[Bi4As4Pb4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 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 [C2/m] _cell_length_a [13.4008] _cell_length_b [5.6...	2.268	0.011	0.4833	0.0164
MP	CsNO3	data_[Cs8N8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [9.3043] _cell_length_b [9.3043] _cell_length_c [9.3043] _cell_...	3.276	0.022	0.5692	0.0285
MP	BaZnGeO4	data_[Ba6Zn6Ge6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Zn 1.6500 1.3500 0.8800 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [9.3366] _cell_length_b [9.33...	2.896	0.041	0.5399	0.0465
MP	Mg3BeAl8O16	data_[Mg6Be2Al16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Be 1.5700 1.0500 0.5900 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 [5.7239] _cell_length_b [5...	5.242	0.022	0.685	0.0285
MP	CaMg30CrO32	data_[Ca1Mg30Cr1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mg 1.3100 1.5000 0.8600 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5522] _cell_length_b [8...	1.712	0.027	0.4214	0.0335
MP	CeSe2	data_[Ce12Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P23] _cell_length_a [14.7752] _cell_length_b [14.7752] _cell_length_c [14.7752] _cell_angle_alpha [90.0000] _ce...	0.836	0.547	0.2834	0.3136
MP	Fe3OF7	data_[Fe12O4F28] 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 [Cc] _cell_length_a [10.7354] _cell_length_b [5.8288] _cell_length_c [10.5138] _cell...	2.571	0.128	0.512	0.112
MP	Na10B18H6O35	data_[Na10B18H6O35] 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 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.7524] _cell_length_b [9.4669] ...	4.681	0.0	0.6567	0.0
MP	Li7MnO5F	data_[Li7Mn1O5F1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.5097] _cell_length_b [5.5842] _...	1.296	0.096	0.3641	0.09
MP	Tb2ZrS5	data_[Tb8Zr4S20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Zr 1.3300 1.5500 0.8600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.6352] _cell_length_b [7.7934] _cell_length_c [7.2841] _ce...	1.135	0.0	0.3384	0.0
MP	RbEr2Cu3Se5	data_[Rb4Er8Cu12Se20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Er 1.2400 1.7500 1.0300 Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.1084] _cell_length_b [1...	1.148	0.0	0.3406	0.0
MP	H12C4S3(N3Cl2)2	data_[H24C8S6N12Cl8] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [10....	0.095	0.287	0.0619	0.2024
MP	Ho4BClO7	data_[Ho16B4Cl4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 B 2.0400 0.8500 0.4100 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 [8.5965] _cell_length_b [8.0...	4.773	0.0	0.6615	0.0
MP	TlVH6SO9	data_[Tl2V2H12S2O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [6...	2.789	0.015	0.531	0.021
MP	H3CI	data_[H12C4I4] 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 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [4.7752] _cell_length_b [7.2373] _cell_length_c [10.2508] _cell_a...	3.373	0.068	0.5763	0.069
MP	Li6Mn3V(PO4)6	data_[Li12Mn6V2P12O48] 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 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 [P2_1] _cell_length_a...	0.571	0.013	0.2235	0.0188
MP	Li2Cu3F8	data_[Li2Cu3F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cu 1.9000 1.3500 0.8200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.5953] _cell_length_b [5.6298] _cell_length_c [5.6816] _cell_a...	0.3	0.098	0.1447	0.0914
MP	CsTm(WO4)2	data_[Cs4Tm4W8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Tm 1.2500 1.7500 1.0950 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 [10.9415] _cell_length_b [10.65...	3.392	0.007	0.5776	0.0115
MP	Ba3Sc4(CuO4)3	data_[Ba12Sc16Cu12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sc 1.3600 1.6000 0.8850 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [12.0347] _cell_length_b...	0.534	0.003	0.2141	0.0058
MP	Y(FeO2)2	data_[Y2Fe4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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/m] _cell_length_a [6.1221] _cell_length_b [3.5059] _cell_length_c [8.7918] _cell_a...	0.738	0.034	0.2627	0.0402
MP	La4Mn3NiO12	data_[La4Mn3Ni1O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.6483 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.5859] _cell_length_b [5.605...	0.093	0.145	0.0609	0.123
MP	Li3Co2(SiO4)2	data_[Li6Co4Si4O16] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [5.0531] _cell_length_b [6.4308...	0.012	0.059	0.0122	0.0618
MP	K2SnC4O9	data_[K4Sn2C8O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sn 1.9600 1.4500 0.8300 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 [6.5545] _cell_length_b [6.5942] _...	0.188	0.322	0.1034	0.2194
MP	BaNiO3	data_[Ba2Ni2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.7189] _cell_length_b [5.7189] _cell_length_c [4.8251] _...	1.469	0.0	0.3894	0.0
MP	Na3PS4	data_[Na6P2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [7.0238] _cell_length_b [7.0238] _cell_length_c [7.0238] _cell_...	2.288	0.007	0.4853	0.0115
MP	NaSr2CrF8	data_[Na4Sr8Cr4F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sr 0.9500 2.0000 1.3200 Cr 1.6600 1.4000 0.9400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.8826] _cell_length_b [6....	4.066	0.001	0.6218	0.0024
MP	Ba3NbAs3O	data_[Ba12Nb4As12O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.8204] _cell_length_b [11....	1.255	0.0	0.3578	0.0
MP	LaN2Cl5	data_[La4N8Cl20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.6831] _cell_length_b [8.3667] _cell_length_c [12.9521] _ce...	2.237	0.146	0.4802	0.1236
MP	LiSm2Br5	data_[Li4Sm8Br20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sm 1.1700 1.8500 1.2290 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.2727] _cell_length_b [6.9017] _cell_length_c [7.9437] _...	0.144	0.144	0.0848	0.1224
MP	SiO2	data_[Si8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pccn] _cell_length_a [4.7471] _cell_length_b [8.1684] _cell_length_c [8.6004] _cell_angle_alpha [90.0000] _cell_an...	5.68	0.014	0.7052	0.0199
MP	TaAlO4	data_[Ta4Al4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [4.5134] _cell_length_b [11.3952] _cell_length_c [4.8067] _ce...	3.282	0.0	0.5697	0.0
MP	Pm2MgSe4	data_[Pm16Mg8Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pm 1.1300 1.8500 1.1100 Mg 1.3100 1.5000 0.8600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [13.5186] _cell_length_b [8.0911] _cell_length_c [13.623...	1.055	0.041	0.3247	0.0465
MP	Nd3NbO7	data_[Nd12Nb4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pnma] _cell_length_a [7.6835] _cell_length_b [10.9887] _cell_length_c [7.7741] _c...	2.873	0.0	0.538	0.0
MP	K2Mn(SnSe3)2	data_[K8Mn4Sn8Se24] 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 Sn 1.9600 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P4/ncc] _cell_length_a [8.4286] _cell_length_b [8....	0.879	0.0	0.292	0.0
MP	Cd(IN)4	data_[Cd2I8N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.8207] _cell_length_b [9.3448] _cell_length_c [6.3065] _cell_...	0.116	2.207	0.0721	0.6882
MP	As2Pb8O13	data_[As8Pb32O52] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.0965] _cell_length_b [10.6875] _cell_length_c [14.9791] ...	2.072	0.0	0.463	0.0
MP	Fe4Si(CO)16	data_[Fe16Si4C64O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.6746] _cell_length_b [11...	2.623	0.781	0.5167	0.3923
MP	Mn3Nb6O11	data_[Mn3Nb6O11] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [6.1625] _cell_length_b [6.1625] _cell_length_c [7.7499] _ce...	0.241	0.0	0.1239	0.0
MP	K3LuF6	data_[K6Lu2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Lu 1.2700 1.7500 1.0010 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.3438] _cell_length_b [6.5603] _cell_length_c [11.0632] _ce...	6.723	0.0	0.748	0.0
MP	Ho2H4CO7	data_[Ho8H16C4O28] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.3053] _cell_length_b [6.034...	4.992	0.0	0.6727	0.0
MP	Ta2CuRe	data_[Ta4Cu2Re2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cu 1.9000 1.3500 0.8200 Re 1.9000 1.3500 0.7125 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.7848] _cell_length_b [10.6144] _cell_length_c [14.6957] _...	0.007	4.498	0.0079	0.9328
MP	Na2FePCO7	data_[Na4Fe2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 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 [5...	2.473	0.007	0.5031	0.0115
MP	K2VPCO7	data_[K4V2P2C2O14] 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 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 [P2_1/m] _cell_length_a [5....	1.684	0.0	0.4179	0.0
MP	Rb2CdO2	data_[Rb8Cd4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Cd 1.6900 1.5500 1.0900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [10.7378] _cell_length_b [6.5118] _cell_length_c [6.3863] _cel...	1.311	0.0	0.3664	0.0
MP	SrThBr6	data_[Sr2Th2Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Th 1.3000 1.8000 1.0800 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [9.3786] _cell_length_b [4.2855] _cell_length_c [13.4706] _...	2.139	0.045	0.4701	0.0501
MP	TePb	data_[Te4Pb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.4387] _cell_length_b [4.6911] _cell_length_c [7.0945] _cell_angle_alpha [90.0000] _cell_a...	0.721	0.055	0.259	0.0585
MP	LaTeCl	data_[La2Te2Cl2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Te 2.1000 1.4000 1.2933 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.5569] _cell_length_b [4.5569] _cell_length_c [8.3366] _...	0.657	0.003	0.2444	0.0058
MP	Ba5Li2U3O15	data_[Ba20Li8U12O60] 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 U 1.3800 1.7500 0.9913 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [13.6276] _cell_length_b [13....	1.272	0.0	0.3604	0.0
MP	CsNO3	data_[Cs2N2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [5.7237] _cell_length_b [6.2528] _cell_length_c [5.2107] _cell_a...	3.092	0.004	0.5554	0.0073
MP	Na4Sb2C4SO16	data_[Na32Sb16C32S8O128] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [F222] _cell_length...	0.395	0.074	0.1751	0.0737
MP	Ca19Si6S6(ClO24)2	data_[Ca19Si6S6Cl2O48] 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 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a ...	3.974	0.045	0.6162	0.0501
MP	CaB3HO6	data_[Ca4B12H4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [13.6137] _cell_length_b [7.05...	5.811	0.0	0.711	0.0
MP	Li2MgCdP2	data_[Li2Mg1Cd1P2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mg 1.3100 1.5000 0.8600 Cd 1.6900 1.5500 1.0900 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.2958] _cell_length_b [4.29...	2.004	0.0	0.4556	0.0
MP	K2TcH9	data_[K6Tc3H27] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Tc 1.9000 1.3500 0.7417 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [9.6046] _cell_length_b [9.6046] _cell_length_c [5.5966] _cell...	4.945	0.0	0.6704	0.0
MP	KSiH3	data_[K4Si4H12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.8900] _cell_length_b [5.4213] _cell_length_c [6.8997] _cell_...	2.573	0.0	0.5122	0.0
MP	Ca2Al2SiO7	data_[Ca8Al8Si4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [6.7794] _cell_length_b...	3.209	0.31	0.5643	0.2136
MP	Na2NiO2	data_[Na4Ni2O4] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [2.8697] _cell_length_b [4.5511] _cell_length_c [9.6481] _cell...	2.025	0.054	0.4579	0.0577
MP	BaDyCuTe3	data_[Ba4Dy4Cu4Te12] 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 Cu 1.9000 1.3500 0.8200 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.4394] _cell_length_b [14...	0.519	0.0	0.2101	0.0
MP	Ba4Sr(SnO3)5	data_[Ba4Sr1Sn5O15] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 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 [4.1771] _cell_length_b [4....	0.444	0.011	0.1895	0.0164
MP	K2U2O7	data_[K4U4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 U 1.3800 1.7500 0.9913 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9465] _cell_length_b [7.1881] _cell_length_c [8.0122] _cell_ang...	1.695	0.002	0.4193	0.0042
MP	Li3MnP2(O3F2)2	data_[Li6Mn2P4O12F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a...	1.745	0.0	0.4255	0.0
MP	Rb2Sr2(CO3)3	data_[Rb8Sr8C12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sr 0.9500 2.0000 1.3200 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I2_13] _cell_length_a [9.9446] _cell_length_b [9.94...	4.623	0.003	0.6536	0.0058
MP	Li4Nb3Cr3(NiO8)2	data_[Li8Nb6Cr6Ni4O32] 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 Cr 1.6600 1.4000 0.9400 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...	0.462	0.096	0.1946	0.09
MP	Cs2NaCeCl6	data_[Cs8Na4Ce4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 Ce 1.1200 1.8500 1.0800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.1122] _cell_length_b [...	0.36	0.0	0.1643	0.0
MP	KMg3AlSi3O11F	data_[K1Mg3Al1Si3O11F1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mg 1.3100 1.5000 0.8600 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_group_...	0.007	0.052	0.0079	0.056

MP

NaB6H8S3O7

data_[Na2B12H16S6O14] 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 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8...

2.139

0.601

0.4701

0.3332

MP

Li3Mn2V5O12

data_[Li6Mn4V10O24] 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 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [5.3406] _cell_length_b [8.9968]...

0.474

0.096

0.1979

0.09

MP

Li3Sb(PO4)2

data_[Li6Sb2P4O16] 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 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 [4.7680] _cell_length_b [6.46...

3.243

0.061

0.5668

0.0635

MP

LiZnPO4

data_[Li18Zn18P18O72] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [13.8758] _cell_length_b [13.8...

4.285

0.003

0.6347

0.0058

MP

CrPbO4

data_[Cr4Pb4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [6.9227] _cell_length_b [7.6205] _cell_length_c [8.8600] _c...

2.052

0.0

0.4608

0.0

MP

NaCeTiNbO6F

data_[Na4Ce4Ti4Nb4O24F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ce 1.1200 1.8500 1.0800 Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_grou...

0.2

0.031

0.1082

0.0374

MP

Fe2O3

data_[Fe32O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.3655] _cell_length_b [6.0079] _cell_length_c [14.6092] _cell_angle_alpha [90.0000] _cell_a...

0.817

0.16

0.2795

0.1324

MP

TlPO4

data_[Tl4P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.4986] _cell_length_b [8.2704] _cell_length_c [7.2597] _cell_...

0.715

0.0

0.2576

0.0

MP

LiVZnO4

data_[Li18V18Zn18O72] 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 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [14.3977] _cell_length_b [14.3...

3.35

0.0

0.5746

0.0

MP

Sm3Sc2(FeO4)3

data_[Sm24Sc16Fe24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Sc 1.3600 1.6000 0.8850 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.7974] _cell_length_b ...

2.148

0.0

0.471

0.0

MP

Li2VP3O10

data_[Li8V4P12O40] 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 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.1464] _cell_length_b [7.99...

2.135

0.052

0.4697

0.056

MP

AgC3N3O2

data_[Ag32C96N96O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 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 [C2/c] _cell_length_a [29.8433] _cell_length_b [7.90...

2.329

0.55

0.4893

0.3147

MP

Na2LiTbCl6

data_[Na8Li4Tb4Cl24] 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 Tb 1.1000 1.7500 0.9815 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.2895] _cell_length_b [...

3.96

0.123

0.6153

0.1087

MP

Rb3DyF6

data_[Rb6Dy2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Dy 1.2200 1.7500 1.1310 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [7.2344] _cell_length_b [7.2344] _cell_length_c [9.5827] _c...

4.825

0.046

0.6642

0.0509

MP

BaMnGaF7

data_[Ba8Mn8Ga8F56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mn 1.5500 1.4000 0.6483 Ga 1.8100 1.3000 0.7600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [14.0100] _cell_length_b [5.3...

3.793

0.005

0.6047

0.0088

MP

Li10Sc9Fe(SiO3)20

data_[Li20Sc18Fe2Si40O120] 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 [C2] _cell_leng...

3.059

0.005

0.5529

0.0088

MP

Li2V3WO8

data_[Li8V12W4O32] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_332] _cell_length_a [8.6067] _cell_length_b [8.606...

1.771

0.006

0.4286

0.0101

MP

K(SbSe2)2

data_[K2Sb4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9351] _cell_length_b [7.0411] _cell_length_c [9.4691] _cell_...

1.117

0.0

0.3354

0.0

MP

H5PbC2SIN6

data_[H20Pb4C8S4I4N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Pb 2.3300 1.8000 1.1225 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 ] _symmetry_space_group_nam...

3.005

0.219

0.5486

0.1667

MP

Mg3TcH7

data_[Mg6Tc2H14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Tc 1.9000 1.3500 0.7417 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.8409] _cell_length_b [4.8409] _cell_length_c [10.5372]...

2.612

0.0

0.5157

0.0

MP

MnFe7(PO4)8

data_[Mn1Fe7P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [Pm] _cell_length_a [4.8904] _cell_length_b [11.9126]...

1.441

0.037

0.3854

0.0429

MP

CsClO3

data_[Cs2Cl2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.2127] _cell_length_b [6.1510] _cell_length_c [7.7831] _ce...

5.568

0.065

0.7002

0.0667

MP

Cs2NaCo(CN)6

data_[Cs4Na2Co2C12N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 Co 1.8800 1.3500 0.7683 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_lengt...

4.304

0.017

0.6358

0.0232

MP

Mg14ZnCdO16

data_[Mg14Zn1Cd1O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 Cd 1.6900 1.5500 1.0900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6107] _cell_length_b [8...

2.72

0.037

0.5251

0.0429

MP

Na2TiZn2GeO7

data_[Na16Ti8Zn16Ge8O56] 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 Zn 1.6500 1.3500 0.8800 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_leng...

3.098

0.0

0.5559

0.0

MP

Cs2Ni(NO3)4

data_[Cs4Ni2N8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ni 1.9100 1.3500 0.7400 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 [6.5104] _cell_length_b [7.8919]...

2.955

0.0

0.5446

0.0

MP

HgP2(PdO4)2

data_[Hg8P16Pd16O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 P 2.1900 1.0000 0.5500 Pd 2.2000 1.4000 0.8462 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [7.0825] _cell_length_b [11.5...

0.552

0.021

0.2187

0.0275

MP

K2TeBr6

data_[K4Te2Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Te 2.1000 1.4000 1.2933 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.6891] _cell_length_b [8.0399] _cell_length_c [13.2605] _...

2.336

0.0

0.49

0.0

MP

K3Sb5O14

data_[K12Sb20O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pba2] _cell_length_a [7.2780] _cell_length_b [24.6897] _cell_length_c [7.4614] _ce...

1.353

0.018

0.3727

0.0243

MP

Sr(BO4)2

data_[Sr8B16O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.3624] _cell_length_b [15.6621] _cell_length_c [10.6940] _...

0.225

0.547

0.1179

0.3136

MP

SiBr2

data_[Si20Br40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.0614] _cell_length_b [15.9756] _cell_length_c [16.1450] _cell_angle_alpha [90.0000] ...

2.743

0.039

0.5271

0.0447

MP

Li4MnCrO6

data_[Li16Mn4Cr4O24] 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 [P1] _cell_length_a [5.0224] _cell_length_b [8.687...

1.072

0.038

0.3277

0.0438

MP

BH11C4NClF4

data_[B2H22C8N2Cl2F8] 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 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name...

6.411

0.113

0.7359

0.1019

MP

Mn2Fe(CN)6

data_[Mn2Fe1C6N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Fe 1.8300 1.4000 0.8525 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-31m] _cell_length_a [6.0367] _cell_length_b [6.0367...

2.016

0.188

0.4569

0.1491

MP

Dy2Mo4O15

data_[Dy4Mo8O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.9203] _cell_length_b [9.7402] _cell_length_c [10.7162] _...

3.316

0.0

0.5722

0.0

MP

BiAsPbO5

data_[Bi4As4Pb4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 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 [C2/m] _cell_length_a [13.4008] _cell_length_b [5.6...

2.268

0.011

0.4833

0.0164

MP

CsNO3

data_[Cs8N8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [9.3043] _cell_length_b [9.3043] _cell_length_c [9.3043] _cell_...

3.276

0.022

0.5692

0.0285

MP

BaZnGeO4

data_[Ba6Zn6Ge6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Zn 1.6500 1.3500 0.8800 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [9.3366] _cell_length_b [9.33...

2.896

0.041

0.5399

0.0465

MP

Mg3BeAl8O16

data_[Mg6Be2Al16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Be 1.5700 1.0500 0.5900 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 [5.7239] _cell_length_b [5...

5.242

0.022

0.685

0.0285

MP

CaMg30CrO32

data_[Ca1Mg30Cr1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mg 1.3100 1.5000 0.8600 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5522] _cell_length_b [8...

1.712

0.027

0.4214

0.0335

MP

CeSe2

data_[Ce12Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P23] _cell_length_a [14.7752] _cell_length_b [14.7752] _cell_length_c [14.7752] _cell_angle_alpha [90.0000] _ce...

0.836

0.547

0.2834

0.3136

MP

Fe3OF7

data_[Fe12O4F28] 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 [Cc] _cell_length_a [10.7354] _cell_length_b [5.8288] _cell_length_c [10.5138] _cell...

2.571

0.128

0.512

0.112

MP

Na10B18H6O35

data_[Na10B18H6O35] 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 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.7524] _cell_length_b [9.4669] ...

4.681

0.0

0.6567

0.0

MP

Li7MnO5F

data_[Li7Mn1O5F1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.5097] _cell_length_b [5.5842] _...

1.296

0.096

0.3641

0.09

MP

Tb2ZrS5

data_[Tb8Zr4S20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Zr 1.3300 1.5500 0.8600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.6352] _cell_length_b [7.7934] _cell_length_c [7.2841] _ce...

1.135

0.0

0.3384

0.0

MP

RbEr2Cu3Se5

data_[Rb4Er8Cu12Se20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Er 1.2400 1.7500 1.0300 Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.1084] _cell_length_b [1...

1.148

0.0

0.3406

0.0

MP

H12C4S3(N3Cl2)2

data_[H24C8S6N12Cl8] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [10....

0.095

0.287

0.0619

0.2024

MP

Ho4BClO7

data_[Ho16B4Cl4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 B 2.0400 0.8500 0.4100 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 [8.5965] _cell_length_b [8.0...

4.773

0.0

0.6615

0.0

MP

TlVH6SO9

data_[Tl2V2H12S2O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [6...

2.789

0.015

0.531

0.021

MP

H3CI

data_[H12C4I4] 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 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [4.7752] _cell_length_b [7.2373] _cell_length_c [10.2508] _cell_a...

3.373

0.068

0.5763

0.069

MP

Li6Mn3V(PO4)6

data_[Li12Mn6V2P12O48] 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 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 [P2_1] _cell_length_a...

0.571

0.013

0.2235

0.0188

MP

Li2Cu3F8

data_[Li2Cu3F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cu 1.9000 1.3500 0.8200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.5953] _cell_length_b [5.6298] _cell_length_c [5.6816] _cell_a...

0.3

0.098

0.1447

0.0914

MP

CsTm(WO4)2

data_[Cs4Tm4W8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Tm 1.2500 1.7500 1.0950 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 [10.9415] _cell_length_b [10.65...

3.392

0.007

0.5776

0.0115

MP

Ba3Sc4(CuO4)3

data_[Ba12Sc16Cu12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sc 1.3600 1.6000 0.8850 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [12.0347] _cell_length_b...

0.534

0.003

0.2141

0.0058

MP

Y(FeO2)2

data_[Y2Fe4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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/m] _cell_length_a [6.1221] _cell_length_b [3.5059] _cell_length_c [8.7918] _cell_a...

0.738

0.034

0.2627

0.0402

MP

La4Mn3NiO12

data_[La4Mn3Ni1O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.6483 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.5859] _cell_length_b [5.605...

0.093

0.145

0.0609

0.123

MP

Li3Co2(SiO4)2

data_[Li6Co4Si4O16] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [5.0531] _cell_length_b [6.4308...

0.012

0.059

0.0122

0.0618

MP

K2SnC4O9

data_[K4Sn2C8O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sn 1.9600 1.4500 0.8300 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 [6.5545] _cell_length_b [6.5942] _...

0.188

0.322

0.1034

0.2194

MP

BaNiO3

data_[Ba2Ni2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.7189] _cell_length_b [5.7189] _cell_length_c [4.8251] _...

1.469

0.0

0.3894

0.0

MP

Na3PS4

data_[Na6P2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [7.0238] _cell_length_b [7.0238] _cell_length_c [7.0238] _cell_...

2.288

0.007

0.4853

0.0115

MP

NaSr2CrF8

data_[Na4Sr8Cr4F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sr 0.9500 2.0000 1.3200 Cr 1.6600 1.4000 0.9400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.8826] _cell_length_b [6....

4.066

0.001

0.6218

0.0024

MP

Ba3NbAs3O

data_[Ba12Nb4As12O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.8204] _cell_length_b [11....

1.255

0.0

0.3578

0.0

MP

LaN2Cl5

data_[La4N8Cl20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.6831] _cell_length_b [8.3667] _cell_length_c [12.9521] _ce...

2.237

0.146

0.4802

0.1236

MP

LiSm2Br5

data_[Li4Sm8Br20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sm 1.1700 1.8500 1.2290 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.2727] _cell_length_b [6.9017] _cell_length_c [7.9437] _...

0.144

0.0848

0.1224

MP

SiO2

data_[Si8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pccn] _cell_length_a [4.7471] _cell_length_b [8.1684] _cell_length_c [8.6004] _cell_angle_alpha [90.0000] _cell_an...

5.68

0.014

0.7052

0.0199

MP

TaAlO4

data_[Ta4Al4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [4.5134] _cell_length_b [11.3952] _cell_length_c [4.8067] _ce...

3.282

0.0

0.5697

0.0

MP

Pm2MgSe4

data_[Pm16Mg8Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pm 1.1300 1.8500 1.1100 Mg 1.3100 1.5000 0.8600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [13.5186] _cell_length_b [8.0911] _cell_length_c [13.623...

1.055

0.041

0.3247

0.0465

MP

Nd3NbO7

data_[Nd12Nb4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pnma] _cell_length_a [7.6835] _cell_length_b [10.9887] _cell_length_c [7.7741] _c...

2.873

0.0

0.538

0.0

MP

K2Mn(SnSe3)2

data_[K8Mn4Sn8Se24] 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 Sn 1.9600 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P4/ncc] _cell_length_a [8.4286] _cell_length_b [8....

0.879

0.0

0.292

0.0

MP

Cd(IN)4

data_[Cd2I8N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.8207] _cell_length_b [9.3448] _cell_length_c [6.3065] _cell_...

0.116

2.207

0.0721

0.6882

MP

As2Pb8O13

data_[As8Pb32O52] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.0965] _cell_length_b [10.6875] _cell_length_c [14.9791] ...

2.072

0.0

0.463

0.0

MP

Fe4Si(CO)16

data_[Fe16Si4C64O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.6746] _cell_length_b [11...

2.623

0.781

0.5167

0.3923

MP

Mn3Nb6O11

data_[Mn3Nb6O11] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [6.1625] _cell_length_b [6.1625] _cell_length_c [7.7499] _ce...

0.241

0.0

0.1239

0.0

MP

K3LuF6

data_[K6Lu2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Lu 1.2700 1.7500 1.0010 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.3438] _cell_length_b [6.5603] _cell_length_c [11.0632] _ce...

6.723

0.0

0.748

0.0

MP

Ho2H4CO7

data_[Ho8H16C4O28] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.3053] _cell_length_b [6.034...

4.992

0.0

0.6727

0.0

MP

Ta2CuRe

data_[Ta4Cu2Re2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cu 1.9000 1.3500 0.8200 Re 1.9000 1.3500 0.7125 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.7848] _cell_length_b [10.6144] _cell_length_c [14.6957] _...

0.007

4.498

0.0079

0.9328

MP

Na2FePCO7

data_[Na4Fe2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 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 [5...

2.473

0.007

0.5031

0.0115

MP

K2VPCO7

data_[K4V2P2C2O14] 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 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 [P2_1/m] _cell_length_a [5....

1.684

0.0

0.4179

0.0

MP

Rb2CdO2

data_[Rb8Cd4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Cd 1.6900 1.5500 1.0900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [10.7378] _cell_length_b [6.5118] _cell_length_c [6.3863] _cel...

1.311

0.0

0.3664

0.0

MP

SrThBr6

data_[Sr2Th2Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Th 1.3000 1.8000 1.0800 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [9.3786] _cell_length_b [4.2855] _cell_length_c [13.4706] _...

2.139

0.045

0.4701

0.0501

MP

TePb

data_[Te4Pb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.4387] _cell_length_b [4.6911] _cell_length_c [7.0945] _cell_angle_alpha [90.0000] _cell_a...

0.721

0.055

0.259

0.0585

MP

LaTeCl

data_[La2Te2Cl2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Te 2.1000 1.4000 1.2933 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.5569] _cell_length_b [4.5569] _cell_length_c [8.3366] _...

0.657

0.003

0.2444

0.0058

MP

Ba5Li2U3O15

data_[Ba20Li8U12O60] 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 U 1.3800 1.7500 0.9913 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [13.6276] _cell_length_b [13....

1.272

0.0

0.3604

0.0

MP

CsNO3

data_[Cs2N2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [5.7237] _cell_length_b [6.2528] _cell_length_c [5.2107] _cell_a...

3.092

0.004

0.5554

0.0073

MP

Na4Sb2C4SO16

data_[Na32Sb16C32S8O128] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [F222] _cell_length...

0.395

0.074

0.1751

0.0737

MP

Ca19Si6S6(ClO24)2

data_[Ca19Si6S6Cl2O48] 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 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a ...

3.974

0.045

0.6162

0.0501

MP

CaB3HO6

data_[Ca4B12H4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [13.6137] _cell_length_b [7.05...

5.811

0.0

0.711

0.0

MP

Li2MgCdP2

data_[Li2Mg1Cd1P2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mg 1.3100 1.5000 0.8600 Cd 1.6900 1.5500 1.0900 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.2958] _cell_length_b [4.29...

2.004

0.0

0.4556

0.0

MP

K2TcH9

data_[K6Tc3H27] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Tc 1.9000 1.3500 0.7417 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [9.6046] _cell_length_b [9.6046] _cell_length_c [5.5966] _cell...

4.945

0.0

0.6704

0.0

MP

KSiH3

data_[K4Si4H12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.8900] _cell_length_b [5.4213] _cell_length_c [6.8997] _cell_...

2.573

0.0

0.5122

0.0

MP

Ca2Al2SiO7

data_[Ca8Al8Si4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [6.7794] _cell_length_b...

3.209

0.31

0.5643

0.2136

MP

Na2NiO2

data_[Na4Ni2O4] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [2.8697] _cell_length_b [4.5511] _cell_length_c [9.6481] _cell...

2.025

0.054

0.4579

0.0577

MP

BaDyCuTe3

data_[Ba4Dy4Cu4Te12] 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 Cu 1.9000 1.3500 0.8200 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.4394] _cell_length_b [14...

0.519

0.0

0.2101

0.0

MP

Ba4Sr(SnO3)5

data_[Ba4Sr1Sn5O15] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 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 [4.1771] _cell_length_b [4....

0.444

0.011

0.1895

0.0164

MP

K2U2O7

data_[K4U4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 U 1.3800 1.7500 0.9913 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9465] _cell_length_b [7.1881] _cell_length_c [8.0122] _cell_ang...

1.695

0.002

0.4193

0.0042

MP

Li3MnP2(O3F2)2

data_[Li6Mn2P4O12F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a...

1.745

0.0

0.4255

0.0

MP

Rb2Sr2(CO3)3

data_[Rb8Sr8C12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sr 0.9500 2.0000 1.3200 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I2_13] _cell_length_a [9.9446] _cell_length_b [9.94...

4.623

0.003

0.6536

0.0058

MP

Li4Nb3Cr3(NiO8)2

data_[Li8Nb6Cr6Ni4O32] 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 Cr 1.6600 1.4000 0.9400 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...

0.462

0.096

0.1946

0.09

MP

Cs2NaCeCl6

data_[Cs8Na4Ce4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 Ce 1.1200 1.8500 1.0800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.1122] _cell_length_b [...

0.36

0.0

0.1643

0.0

MP

KMg3AlSi3O11F

data_[K1Mg3Al1Si3O11F1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mg 1.3100 1.5000 0.8600 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_group_...

0.007

0.052

0.0079

0.056