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	GaAg(GeSe3)2	data_[Ga4Ag4Ge8Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Ag 1.9300 1.6000 1.0867 Ge 2.0100 1.2500 0.7700 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [7.2984] _cell_length_b [12.7...	1.264	0.013	0.3592	0.0188
MP	La3CuSiSe7	data_[La6Cu2Si2Se14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cu 1.9000 1.3500 0.8200 Si 1.9000 1.1000 0.5400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.7852] _cell_length_b [1...	1.537	0.0	0.3987	0.0
MP	LiCuF3	data_[Li4Cu4F12] 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 [P2_1/c] _cell_length_a [3.2791] _cell_length_b [9.8122] _cell_length_c [7.7436] _c...	0.524	0.032	0.2114	0.0383
MP	Nb4Ag2O11	data_[Nb24Ag12O66] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3c] _cell_length_a [6.2617] _cell_length_b [6.2617] _cell_length_c [38.2203] _c...	2.372	0.03	0.4935	0.0364
MP	AlCr2W	data_[Al2Cr4W2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.2471] _cell_length_b [10.9568] _cell_length_c [14.4758] _c...	0.289	3.876	0.141	0.8799
MP	ScInP2	data_[Sc1In1P2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 In 1.7800 1.5500 0.9400 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.2100] _cell_length_b [4.2100] _cell_length_c [5.9589] _cel...	0.977	0.298	0.3107	0.2078
MP	K2RbAlBr6	data_[K8Rb4Al4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 Al 1.6100 1.2500 0.6750 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.4954] _cell_length_b [11...	3.363	0.131	0.5755	0.114
MP	FeSi2	data_[Fe16Si32] 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 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [9.8765] _cell_length_b [7.7729] _cell_length_c [7.8178] _cell_angle_alpha [90.0000] _cell...	0.697	0.0	0.2536	0.0
MP	Li3La3(MoO6)2	data_[Li24La24Mo16O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 La 1.1000 1.9500 1.1720 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.7490] _cell_length_b ...	2.849	0.0	0.536	0.0
MP	MoH2(CO2)2	data_[Mo4H8C8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 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 [5.6369] _cell_length_b [11.524...	2.61	0.328	0.5155	0.2222
MP	CaZn2(H5O4)2	data_[Ca2Zn4H20O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Zn 1.6500 1.3500 0.8800 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.2155] _cell_length_b [9.9...	3.303	0.062	0.5712	0.0643
MP	Hg3(SCl)2	data_[Hg6S4Cl4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [4.6909] _cell_length_b [9.6538] _cell_length_c [9.0794] _ce...	0.597	0.076	0.23	0.0752
MP	Au(OF3)2	data_[Au1O2F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Au 2.5400 1.3500 1.0700 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.2534] _cell_length_b [5.7942] _cell_length_c [5.7987] _cell_ang...	0.021	0.254	0.019	0.1855
MP	Li4V3Sn3(SbO8)2	data_[Li4V3Sn3Sb2O16] 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 Sn 1.9600 1.4500 0.8300 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...	0.933	0.055	0.3024	0.0585
MP	Cr3Ag8(IO6)2	data_[Cr6Ag16I4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ag 1.9300 1.6000 1.0867 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [9.5483] _cell_length_b [9.5...	1.422	0.088	0.3827	0.0842
MP	ErRhO3	data_[Er4Rh4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.7680] _cell_length_b [7.6466] _cell_length_c [5.2796] _cel...	0.964	0.0	0.3083	0.0
MP	NaCdP3(H4O5)2	data_[Na8Cd8P24H64O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cd 1.6900 1.5500 1.0900 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a...	4.997	0.023	0.673	0.0295
MP	La2Hf2O7	data_[La16Hf16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Hf 1.3000 1.5500 0.8500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.8083] _cell_length_b [10.8083] _cell_length_c [10.8083...	4.288	0.0	0.6349	0.0
MP	VO2	data_[V4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.1277] _cell_length_b [3.0361] _cell_length_c [4.8136] _cell_angle_alpha [90.0000] _cell_angle...	0.393	0.098	0.1745	0.0914
MP	Li6CrCoP2(CO7)2	data_[Li6Cr1Co1P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_...	1.31	0.064	0.3662	0.0659
MP	Na2Ga2Se3	data_[Na8Ga8Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ga 1.8100 1.3000 0.7600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9145] _cell_length_b [12.2301] _cell_length_c [8.7103] _...	1.363	0.0	0.3742	0.0
MP	FeOF	data_[Fe6O6F6] 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 [Pm] _cell_length_a [4.7218] _cell_length_b [3.0998] _cell_length_c [14.0190] _cell_an...	0.711	0.098	0.2567	0.0914
MP	Rb2PrI5	data_[Rb8Pr4I20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pr 1.1300 1.8500 1.0600 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [15.1498] _cell_length_b [10.0692] _cell_length_c [9.5447] _c...	3.092	0.0	0.5554	0.0
MP	ZnBi6P2O15	data_[Zn4Bi24P8O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 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] _cell_length_a [15.4709] _cell_length_b [5.5237...	2.751	0.0	0.5278	0.0
MP	Bi(IO3)3	data_[Bi4I12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.9752] _cell_length_b [6.1142] _cell_length_c [17.0194] _c...	3.026	0.0	0.5503	0.0
MP	Mg2SiO4	data_[Mg16Si8O32] 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 [Imma] _cell_length_a [5.7636] _cell_length_b [11.5609] _cell_length_c [8.3563] _c...	4.497	0.05	0.6467	0.0544
MP	HoTiClO3	data_[Ho4Ti4Cl4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Ti 1.5400 1.4000 0.8517 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.8230] _cell_length_b [3.90...	3.123	0.0	0.5578	0.0
MP	CuH10C2(N2O5)2	data_[Cu4H40C8N16O40] 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_12_12_1] _cell_leng...	0.576	0.341	0.2248	0.2283
MP	Co(CN)2	data_[Co2C4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P-43m] _cell_length_a [5.7618] _cell_length_b [5.7618] _cell_length_c [5.7618] _cell_...	0.122	0.356	0.0749	0.2352
MP	NaTi2(PO4)3	data_[Na6Ti12P18O72] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [8.6168] _cell_length_b [8.61...	2.443	0.0	0.5003	0.0
MP	Li4V3Cr3(SbO8)2	data_[Li8V6Cr6Sb4O32] 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 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [...	1.39	0.014	0.3781	0.0199
MP	Li4Mn3Co2Te3O16	data_[Li4Mn3Co2Te3O16] 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 Co 1.8800 1.3500 0.7683 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...	0.178	0.1	0.0993	0.0929
MP	Na3SbSe4	data_[Na6Sb2Se8] 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 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [7.5690] _cell_length_b [7.5690] _cell_length_c [7.5690] _c...	0.987	0.0	0.3125	0.0
MP	LiAg2Au	data_[Li2Ag4Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ag 1.9300 1.6000 1.0867 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.4723] _cell_length_b [11.1499] _cell_length_c [15.7448] ...	0.487	1.388	0.2015	0.5449
MP	U(OF)2	data_[U2O4F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.9526] _cell_length_b [3.4117] _cell_length_c [4.2941] _cell_ang...	0.264	0.322	0.1322	0.2194
MP	AlTlF4	data_[Al4Tl4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Tl 1.6200 1.9000 1.3325 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [13.9101] _cell_length_b [5.1726] _cell_length_c [5.2051] _ce...	4.433	0.0	0.6431	0.0
MP	Al2CrO5	data_[Al8Cr4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [C2/c] _cell_length_a [9.5571] _cell_length_b [4.9653] _cell_length_c [6.8381] _cel...	0.037	0.033	0.0298	0.0392
MP	Ge4PbO9	data_[Ge12Pb3O27] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [11.5589] _cell_length_b [11.5589] _cell_length_c [4.8287] _...	3.191	0.053	0.5629	0.0569
MP	SbPOF8	data_[Sb4P4O4F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 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 [5.6035] _cell_length_b [17.513...	4.769	0.0	0.6613	0.0
MP	Cs2RbSmCl6	data_[Cs8Rb4Sm4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Rb 0.8200 2.3500 1.6600 Sm 1.1700 1.8500 1.2290 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.6916] _cell_length_b [...	4.894	0.0	0.6678	0.0
MP	Na3Gd(PO4)2	data_[Na18Gd6P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Gd 1.2000 1.8000 1.0750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.3721] _cell_length_b [14.05...	2.985	0.001	0.547	0.0024
MP	Li4MgNi3O8	data_[Li16Mg4Ni12O32] 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 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.1761] _cell_length_b [5...	0.328	0.01	0.1541	0.0152
MP	SrCrP2O7	data_[Sr4Cr4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.4757] _cell_length_b [8.49...	0.093	0.003	0.0609	0.0058
MP	Sn2H2SO5F2	data_[Sn8H8S4O20F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [...	3.868	0.024	0.6095	0.0305
MP	Mg2Sc3CrS8	data_[Mg6Sc9Cr3S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 Cr 1.6600 1.4000 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.4915] _cell_length_b [7.49...	1.193	0.027	0.3479	0.0335
MP	H3CSN(ClO)2	data_[H12C4S4N4Cl8O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name...	2.671	0.506	0.5209	0.2981
MP	UP3HO11	data_[U8P24H8O88] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.9246] _cell_length_b [8.7848]...	2.505	0.0	0.506	0.0
MP	Na3SiH5O6	data_[Na24Si8H40O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [Pbca] _cell_length_a [9.9936] _cell_length_b [11.5...	4.109	0.015	0.6244	0.021
MP	Sm2Be2GeO7	data_[Sm4Be4Ge2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Be 1.5700 1.0500 0.5900 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-42_1m] _cell_length_a [7.5655] _cell_length_b [7...	4.42	0.0	0.6424	0.0
MP	Rb3InO3	data_[Rb12In4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.8945] _cell_length_b [7.1785] _cell_length_c [11.5708] ...	2.24	0.0	0.4805	0.0
MP	Li4V2Si(PO6)2	data_[Li16V8Si4P8O48] 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 Si 1.9000 1.1000 0.5400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [8...	1.883	0.089	0.4419	0.0849
MP	Na3Sc2(MoO4)3	data_[Na12Sc8Mo12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sc 1.3600 1.6000 0.8850 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.4703] _cell_length_b [1...	1.407	0.123	0.3806	0.1087
MP	Rb5Re3S7	data_[Rb10Re6S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Re 1.9000 1.3500 0.7125 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [10.7423] _cell_length_b [10.7431] _cell_length_c [10.7899] _c...	1.644	0.0	0.4128	0.0
MP	Li3Sn2(PO4)3	data_[Li12Sn8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [8.9071] _cell_length_b [9.38...	2.171	0.09	0.4734	0.0857
MP	Y(CuTe)3	data_[Y6Cu18Te18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Cu 1.9000 1.3500 0.8200 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [7.4646] _cell_length_b [7.4646] _cell_length_c [20.8972] _ce...	0.763	0.032	0.2681	0.0383
MP	Sc(CO2)3	data_[Sc4C12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [10.5764] _cell_length_b [6.7840] _cell_length_c [9.2868] _c...	0.129	0.563	0.0781	0.3195
MP	FeGe4H24C8(S5N)2	data_[Fe2Ge8H48C16S20N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Ge 2.0100 1.2500 0.7700 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 ] _symmetry_space_group_...	0.316	0.084	0.1501	0.0813
MP	Hg(ClO3)2	data_[Hg2Cl4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.8314] _cell_length_b [5.6172] _cell_length_c [9.4486] _cel...	2.649	0.0	0.519	0.0
MP	HoBr3	data_[Ho2Br6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [10.1596] _cell_length_b [10.1596] _cell_length_c [3.7402] _cell_angle_alpha [90.0000] _...	2.841	0.0	0.5354	0.0
MP	CaHg2Pd	data_[Ca2Hg4Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Hg 2.0000 1.5000 1.2450 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.7241] _cell_length_b [12.6370] _cell_length_c [17.8404] ...	0.306	1.342	0.1468	0.5352
MP	Ca2BiAu	data_[Ca8Bi4Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Bi 2.0200 1.6000 1.0350 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.6329] _cell_length_b [7.6329] _cell_length_c [7.6329] _c...	0.0	0.0	0.0	0.0
MP	K2U(Si2O5)3	data_[K16U8Si48O120] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [24.5955] _cell_length_b [7.17...	0.016	0.008	0.0153	0.0128
MP	InGaSnO5	data_[In4Ga4Sn4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Ga 1.8100 1.3000 0.7600 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [11.0550] _cell_length_b [3.2...	1.869	0.004	0.4403	0.0073
MP	BaTi5O11	data_[Ba4Ti20O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.6248] _cell_length_b [14.2445] _cell_length_c [10.0427]...	2.623	0.008	0.5167	0.0128
MP	Cu7PSe6	data_[Cu28P4Se24] 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 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [14.4426] _cell_length_b [7.1662] _cell_length_c [10.1225]...	0.046	0.065	0.0353	0.0667
MP	K2FePCO7	data_[K4Fe2P2C2O14] 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 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 [...	1.186	0.0	0.3468	0.0
MP	Sb26O53	data_[Sb26O53] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.9828] _cell_length_b [5.5539] _cell_length_c [39.8002] _cell_angle_alpha [92.4254] _cell_an...	0.942	0.424	0.3041	0.265
MP	LiGe2(PO4)3	data_[Li6Ge12P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ge 2.0100 1.2500 0.7700 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [8.3893] _cell_length_b [8.38...	3.442	0.009	0.5811	0.014
MP	Mg(InSe2)2	data_[Mg8In16Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 In 1.7800 1.5500 0.9400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [11.4588] _cell_length_b [11.4588] _cell_length_c [11.458...	0.0	0.036	0.0	0.042
MP	Ba2ZnTe3	data_[Ba8Zn4Te12] 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 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.8762] _cell_length_b [4.7322] _cell_length_c [19.1601] _...	1.292	0.027	0.3635	0.0335
MP	Na9Zr8Si4(P4O23)2	data_[Na9Zr8Si4P8O46] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...	1.351	0.52	0.3724	0.3035
MP	K4CdCl6	data_[K24Cd6Cl36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cd 1.6900 1.5500 1.0900 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [12.3268] _cell_length_b [12.3268] _cell_length_c [15.1484] ...	3.983	0.0	0.6167	0.0
MP	Ba7Sr5(MoN4)4	data_[Ba14Sr10Mo8N32] 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 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [10.0874] _cell_length_b [1...	2.078	0.0	0.4636	0.0
MP	ScGaO3	data_[Sc2Ga2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3256] _cell_length_b [3.3256] _cell_length_c [11.8647] ...	2.7	0.018	0.5234	0.0243
MP	Ca5As3CO12	data_[Ca10As6C2O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 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 [P6_3/m] _cell_length_a [10.0318] _cell_length_b [10...	0.707	0.311	0.2559	0.2141
MP	Li2FeSiO4	data_[Li4Fe2Si2O8] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.4904] _cell_length_b [5.034...	3.189	0.022	0.5628	0.0285
MP	KMnF3	data_[K4Mn4F12] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [6.0230] _cell_length_b [6.0230] _cell_length_c [8.5380] _cel...	2.677	0.001	0.5214	0.0024
MP	Mg2CrGa3S8	data_[Mg6Cr3Ga9S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.3067] _cell_length_b [7.30...	1.115	0.086	0.335	0.0827
MP	Li3N	data_[Li6N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.5645] _cell_length_b [3.5645] _cell_length_c [6.3490] _cell_angle_alpha [90.0000] _cell...	1.218	0.004	0.3519	0.0073
MP	FeSi	data_[Fe4Si4] 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 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [4.4482] _cell_length_b [4.4482] _cell_length_c [4.4482] _cell_angle_alpha [90.0000] _cell_...	0.18	0.0	0.1001	0.0
MP	Mo2W(SeS2)2	data_[Mo2W1Se2S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 Se 2.5500 1.1500 1.0133 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.2342] _cell_length_b [3.2342...	0.586	0.066	0.2273	0.0675
MP	V(PO3)4	data_[V4P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [12.8665] _cell_length_b [8.4106] _cell_length_c [9.1947] _cell_...	1.646	0.009	0.413	0.014
MP	Ca(YTe2)2	data_[Ca1Y2Te4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Y 1.2200 1.8000 1.0400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.5438] _cell_length_b [4.4220] _cell_length_c [7.7625] _cell...	0.611	0.01	0.2334	0.0152
MP	Al2O3	data_[Al12O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.2232] _cell_length_b [5.3455] _cell_length_c [20.0077] _cell_angle_alpha [91.3191] _cell_an...	3.108	0.195	0.5566	0.1532
MP	K3InF6	data_[K96In32F192] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 In 1.7800 1.5500 0.9400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fd-3] _cell_length_a [18.1901] _cell_length_b [18.1901] _cell_length_c [18.1901] ...	5.21	0.004	0.6835	0.0073
MP	Ba4In2Te2Se5	data_[Ba8In4Te4Se10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 Te 2.1000 1.4000 1.2933 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [8.7622] _cell_length_b [...	1.843	0.01	0.4372	0.0152
MP	NaLi3SiO4	data_[Na16Li48Si16O64] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [10.8746] _cell_length_b...	4.599	0.0	0.6523	0.0
MP	Li3VCr2O6	data_[Li6V2Cr4O12] 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 [C2/m] _cell_length_a [13.0209] _cell_length_b [2.972...	1.927	0.002	0.447	0.0042
MP	Sr14Al8Ge3	data_[Sr84Al48Ge18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Al 1.6100 1.2500 0.6750 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [12.0053] _cell_length_b [12.0053] _cell_length_c [40.1594...	0.056	0.0	0.0412	0.0
MP	Ba3InIr2O9	data_[Ba6In2Ir4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 Ir 2.2000 1.3500 0.7650 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.9031] _cell_length_b [...	0.016	0.0	0.0153	0.0
MP	CaPr2Mn3O9	data_[Ca1Pr2Mn3O9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Pr 1.1300 1.8500 1.0600 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.5174] _cell_length_b [5.9610]...	0.314	0.303	0.1495	0.2102
MP	K2SmPCO7	data_[K4Sm2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sm 1.1700 1.8500 1.2290 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 [...	4.494	0.037	0.6465	0.0429
MP	Ba3Ti4Sb4O21	data_[Ba12Ti16Sb16O84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ti 1.5400 1.4000 0.8517 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [15.7491] _cell_length_b [...	2.401	0.029	0.4963	0.0354
MP	Cs3BP2	data_[Cs12B4P8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.9711] _cell_length_b [9.8302] _cell_length_c [9.9150] _cell_...	1.696	0.0	0.4194	0.0
MP	Na3Mg3In(SO4)6	data_[Na6Mg6In2S12O48] 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 In 1.7800 1.5500 0.9400 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a ...	3.767	0.0	0.6031	0.0
MP	Hf3N2O3	data_[Hf12N8O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [3.9587] _cell_length_b [10.6476] _cell_length_c [10.7360] _...	3.289	0.071	0.5702	0.0714
MP	SrCrP2O7	data_[Sr4Cr4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [5.4947] _cell_length_b [8.4384] ...	3.132	0.0	0.5585	0.0
MP	Li6Fe3Co(PO4)6	data_[Li6Fe3Co1P6O24] 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 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...	1.73	0.061	0.4236	0.0635
MP	Ca3Si2O7	data_[Ca24Si16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ima2] _cell_length_a [22.2322] _cell_length_b [5.1391] _cell_length_c [11.5546] ...	4.659	0.002	0.6555	0.0042
MP	Hg4As2I3	data_[Hg32As16I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 As 2.1800 1.1500 0.6600 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [13.3957] _cell_length_b [13.3957] _cell_length_c [13.3957]...	0.668	0.009	0.247	0.014

MP

GaAg(GeSe3)2

data_[Ga4Ag4Ge8Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Ag 1.9300 1.6000 1.0867 Ge 2.0100 1.2500 0.7700 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [7.2984] _cell_length_b [12.7...

1.264

0.013

0.3592

0.0188

MP

La3CuSiSe7

data_[La6Cu2Si2Se14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cu 1.9000 1.3500 0.8200 Si 1.9000 1.1000 0.5400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.7852] _cell_length_b [1...

1.537

0.0

0.3987

0.0

MP

LiCuF3

data_[Li4Cu4F12] 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 [P2_1/c] _cell_length_a [3.2791] _cell_length_b [9.8122] _cell_length_c [7.7436] _c...

0.524

0.032

0.2114

0.0383

MP

Nb4Ag2O11

data_[Nb24Ag12O66] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3c] _cell_length_a [6.2617] _cell_length_b [6.2617] _cell_length_c [38.2203] _c...

2.372

0.03

0.4935

0.0364

MP

AlCr2W

data_[Al2Cr4W2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.2471] _cell_length_b [10.9568] _cell_length_c [14.4758] _c...

0.289

3.876

0.141

0.8799

MP

ScInP2

data_[Sc1In1P2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 In 1.7800 1.5500 0.9400 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.2100] _cell_length_b [4.2100] _cell_length_c [5.9589] _cel...

0.977

0.298

0.3107

0.2078

MP

K2RbAlBr6

data_[K8Rb4Al4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 Al 1.6100 1.2500 0.6750 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.4954] _cell_length_b [11...

3.363

0.131

0.5755

0.114

MP

FeSi2

data_[Fe16Si32] 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 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [9.8765] _cell_length_b [7.7729] _cell_length_c [7.8178] _cell_angle_alpha [90.0000] _cell...

0.697

0.0

0.2536

0.0

MP

Li3La3(MoO6)2

data_[Li24La24Mo16O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 La 1.1000 1.9500 1.1720 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.7490] _cell_length_b ...

2.849

0.0

0.536

0.0

MP

MoH2(CO2)2

data_[Mo4H8C8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 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 [5.6369] _cell_length_b [11.524...

2.61

0.328

0.5155

0.2222

MP

CaZn2(H5O4)2

data_[Ca2Zn4H20O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Zn 1.6500 1.3500 0.8800 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.2155] _cell_length_b [9.9...

3.303

0.062

0.5712

0.0643

MP

Hg3(SCl)2

data_[Hg6S4Cl4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [4.6909] _cell_length_b [9.6538] _cell_length_c [9.0794] _ce...

0.597

0.076

0.23

0.0752

MP

Au(OF3)2

data_[Au1O2F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Au 2.5400 1.3500 1.0700 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.2534] _cell_length_b [5.7942] _cell_length_c [5.7987] _cell_ang...

0.021

0.254

0.019

0.1855

MP

Li4V3Sn3(SbO8)2

data_[Li4V3Sn3Sb2O16] 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 Sn 1.9600 1.4500 0.8300 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...

0.933

0.055

0.3024

0.0585

MP

Cr3Ag8(IO6)2

data_[Cr6Ag16I4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ag 1.9300 1.6000 1.0867 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [9.5483] _cell_length_b [9.5...

1.422

0.088

0.3827

0.0842

MP

ErRhO3

data_[Er4Rh4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.7680] _cell_length_b [7.6466] _cell_length_c [5.2796] _cel...

0.964

0.0

0.3083

0.0

MP

NaCdP3(H4O5)2

data_[Na8Cd8P24H64O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cd 1.6900 1.5500 1.0900 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a...

4.997

0.023

0.673

0.0295

MP

La2Hf2O7

data_[La16Hf16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Hf 1.3000 1.5500 0.8500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.8083] _cell_length_b [10.8083] _cell_length_c [10.8083...

4.288

0.0

0.6349

0.0

MP

VO2

data_[V4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.1277] _cell_length_b [3.0361] _cell_length_c [4.8136] _cell_angle_alpha [90.0000] _cell_angle...

0.393

0.098

0.1745

0.0914

MP

Li6CrCoP2(CO7)2

data_[Li6Cr1Co1P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_...

1.31

0.064

0.3662

0.0659

MP

Na2Ga2Se3

data_[Na8Ga8Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ga 1.8100 1.3000 0.7600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9145] _cell_length_b [12.2301] _cell_length_c [8.7103] _...

1.363

0.0

0.3742

0.0

MP

FeOF

data_[Fe6O6F6] 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 [Pm] _cell_length_a [4.7218] _cell_length_b [3.0998] _cell_length_c [14.0190] _cell_an...

0.711

0.098

0.2567

0.0914

MP

Rb2PrI5

data_[Rb8Pr4I20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pr 1.1300 1.8500 1.0600 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [15.1498] _cell_length_b [10.0692] _cell_length_c [9.5447] _c...

3.092

0.0

0.5554

0.0

MP

ZnBi6P2O15

data_[Zn4Bi24P8O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 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] _cell_length_a [15.4709] _cell_length_b [5.5237...

2.751

0.0

0.5278

0.0

MP

Bi(IO3)3

data_[Bi4I12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.9752] _cell_length_b [6.1142] _cell_length_c [17.0194] _c...

3.026

0.0

0.5503

0.0

MP

Mg2SiO4

data_[Mg16Si8O32] 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 [Imma] _cell_length_a [5.7636] _cell_length_b [11.5609] _cell_length_c [8.3563] _c...

4.497

0.05

0.6467

0.0544

MP

HoTiClO3

data_[Ho4Ti4Cl4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Ti 1.5400 1.4000 0.8517 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.8230] _cell_length_b [3.90...

3.123

0.0

0.5578

0.0

MP

CuH10C2(N2O5)2

data_[Cu4H40C8N16O40] 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_12_12_1] _cell_leng...

0.576

0.341

0.2248

0.2283

MP

Co(CN)2

data_[Co2C4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P-43m] _cell_length_a [5.7618] _cell_length_b [5.7618] _cell_length_c [5.7618] _cell_...

0.122

0.356

0.0749

0.2352

MP

NaTi2(PO4)3

data_[Na6Ti12P18O72] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [8.6168] _cell_length_b [8.61...

2.443

0.0

0.5003

0.0

MP

Li4V3Cr3(SbO8)2

data_[Li8V6Cr6Sb4O32] 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 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [...

1.39

0.014

0.3781

0.0199

MP

Li4Mn3Co2Te3O16

data_[Li4Mn3Co2Te3O16] 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 Co 1.8800 1.3500 0.7683 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...

0.178

0.1

0.0993

0.0929

MP

Na3SbSe4

data_[Na6Sb2Se8] 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 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [7.5690] _cell_length_b [7.5690] _cell_length_c [7.5690] _c...

0.987

0.0

0.3125

0.0

MP

LiAg2Au

data_[Li2Ag4Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ag 1.9300 1.6000 1.0867 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.4723] _cell_length_b [11.1499] _cell_length_c [15.7448] ...

0.487

1.388

0.2015

0.5449

MP

U(OF)2

data_[U2O4F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.9526] _cell_length_b [3.4117] _cell_length_c [4.2941] _cell_ang...

0.264

0.322

0.1322

0.2194

MP

AlTlF4

data_[Al4Tl4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Tl 1.6200 1.9000 1.3325 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [13.9101] _cell_length_b [5.1726] _cell_length_c [5.2051] _ce...

4.433

0.0

0.6431

0.0

MP

Al2CrO5

data_[Al8Cr4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [C2/c] _cell_length_a [9.5571] _cell_length_b [4.9653] _cell_length_c [6.8381] _cel...

0.037

0.033

0.0298

0.0392

MP

Ge4PbO9

data_[Ge12Pb3O27] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [11.5589] _cell_length_b [11.5589] _cell_length_c [4.8287] _...

3.191

0.053

0.5629

0.0569

MP

SbPOF8

data_[Sb4P4O4F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 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 [5.6035] _cell_length_b [17.513...

4.769

0.0

0.6613

0.0

MP

Cs2RbSmCl6

data_[Cs8Rb4Sm4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Rb 0.8200 2.3500 1.6600 Sm 1.1700 1.8500 1.2290 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.6916] _cell_length_b [...

4.894

0.0

0.6678

0.0

MP

Na3Gd(PO4)2

data_[Na18Gd6P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Gd 1.2000 1.8000 1.0750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.3721] _cell_length_b [14.05...

2.985

0.001

0.547

0.0024

MP

Li4MgNi3O8

data_[Li16Mg4Ni12O32] 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 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.1761] _cell_length_b [5...

0.328

0.01

0.1541

0.0152

MP

SrCrP2O7

data_[Sr4Cr4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.4757] _cell_length_b [8.49...

0.093

0.003

0.0609

0.0058

MP

Sn2H2SO5F2

data_[Sn8H8S4O20F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [...

3.868

0.024

0.6095

0.0305

MP

Mg2Sc3CrS8

data_[Mg6Sc9Cr3S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 Cr 1.6600 1.4000 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.4915] _cell_length_b [7.49...

1.193

0.027

0.3479

0.0335

MP

H3CSN(ClO)2

data_[H12C4S4N4Cl8O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name...

2.671

0.506

0.5209

0.2981

MP

UP3HO11

data_[U8P24H8O88] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.9246] _cell_length_b [8.7848]...

2.505

0.0

0.506

0.0

MP

Na3SiH5O6

data_[Na24Si8H40O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [Pbca] _cell_length_a [9.9936] _cell_length_b [11.5...

4.109

0.015

0.6244

0.021

MP

Sm2Be2GeO7

data_[Sm4Be4Ge2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Be 1.5700 1.0500 0.5900 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-42_1m] _cell_length_a [7.5655] _cell_length_b [7...

4.42

0.0

0.6424

0.0

MP

Rb3InO3

data_[Rb12In4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.8945] _cell_length_b [7.1785] _cell_length_c [11.5708] ...

2.24

0.0

0.4805

0.0

MP

Li4V2Si(PO6)2

data_[Li16V8Si4P8O48] 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 Si 1.9000 1.1000 0.5400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [8...

1.883

0.089

0.4419

0.0849

MP

Na3Sc2(MoO4)3

data_[Na12Sc8Mo12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sc 1.3600 1.6000 0.8850 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.4703] _cell_length_b [1...

1.407

0.123

0.3806

0.1087

MP

Rb5Re3S7

data_[Rb10Re6S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Re 1.9000 1.3500 0.7125 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [10.7423] _cell_length_b [10.7431] _cell_length_c [10.7899] _c...

1.644

0.0

0.4128

0.0

MP

Li3Sn2(PO4)3

data_[Li12Sn8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [8.9071] _cell_length_b [9.38...

2.171

0.09

0.4734

0.0857

MP

Y(CuTe)3

data_[Y6Cu18Te18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Cu 1.9000 1.3500 0.8200 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [7.4646] _cell_length_b [7.4646] _cell_length_c [20.8972] _ce...

0.763

0.032

0.2681

0.0383

MP

Sc(CO2)3

data_[Sc4C12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 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 [10.5764] _cell_length_b [6.7840] _cell_length_c [9.2868] _c...

0.129

0.563

0.0781

0.3195

MP

FeGe4H24C8(S5N)2

data_[Fe2Ge8H48C16S20N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Ge 2.0100 1.2500 0.7700 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 ] _symmetry_space_group_...

0.316

0.084

0.1501

0.0813

MP

Hg(ClO3)2

data_[Hg2Cl4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.8314] _cell_length_b [5.6172] _cell_length_c [9.4486] _cel...

2.649

0.0

0.519

0.0

MP

HoBr3

data_[Ho2Br6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [10.1596] _cell_length_b [10.1596] _cell_length_c [3.7402] _cell_angle_alpha [90.0000] _...

2.841

0.0

0.5354

0.0

MP

CaHg2Pd

data_[Ca2Hg4Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Hg 2.0000 1.5000 1.2450 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.7241] _cell_length_b [12.6370] _cell_length_c [17.8404] ...

0.306

1.342

0.1468

0.5352

MP

Ca2BiAu

data_[Ca8Bi4Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Bi 2.0200 1.6000 1.0350 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.6329] _cell_length_b [7.6329] _cell_length_c [7.6329] _c...

0.0

MP

K2U(Si2O5)3

data_[K16U8Si48O120] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [24.5955] _cell_length_b [7.17...

0.016

0.008

0.0153

0.0128

MP

InGaSnO5

data_[In4Ga4Sn4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Ga 1.8100 1.3000 0.7600 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [11.0550] _cell_length_b [3.2...

1.869

0.004

0.4403

0.0073

MP

BaTi5O11

data_[Ba4Ti20O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.6248] _cell_length_b [14.2445] _cell_length_c [10.0427]...

2.623

0.008

0.5167

0.0128

MP

Cu7PSe6

data_[Cu28P4Se24] 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 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [14.4426] _cell_length_b [7.1662] _cell_length_c [10.1225]...

0.046

0.065

0.0353

0.0667

MP

K2FePCO7

data_[K4Fe2P2C2O14] 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 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 [...

1.186

0.0

0.3468

0.0

MP

Sb26O53

data_[Sb26O53] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.9828] _cell_length_b [5.5539] _cell_length_c [39.8002] _cell_angle_alpha [92.4254] _cell_an...

0.942

0.424

0.3041

0.265

MP

LiGe2(PO4)3

data_[Li6Ge12P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ge 2.0100 1.2500 0.7700 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [8.3893] _cell_length_b [8.38...

3.442

0.009

0.5811

0.014

MP

Mg(InSe2)2

data_[Mg8In16Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 In 1.7800 1.5500 0.9400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [11.4588] _cell_length_b [11.4588] _cell_length_c [11.458...

0.0

0.036

0.0

0.042

MP

Ba2ZnTe3

data_[Ba8Zn4Te12] 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 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.8762] _cell_length_b [4.7322] _cell_length_c [19.1601] _...

1.292

0.027

0.3635

0.0335

MP

Na9Zr8Si4(P4O23)2

data_[Na9Zr8Si4P8O46] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...

1.351

0.52

0.3724

0.3035

MP

K4CdCl6

data_[K24Cd6Cl36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cd 1.6900 1.5500 1.0900 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [12.3268] _cell_length_b [12.3268] _cell_length_c [15.1484] ...

3.983

0.0

0.6167

0.0

MP

Ba7Sr5(MoN4)4

data_[Ba14Sr10Mo8N32] 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 Mo 2.1600 1.4500 0.7750 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [10.0874] _cell_length_b [1...

2.078

0.0

0.4636

0.0

MP

ScGaO3

data_[Sc2Ga2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.3256] _cell_length_b [3.3256] _cell_length_c [11.8647] ...

2.7

0.018

0.5234

0.0243

MP

Ca5As3CO12

data_[Ca10As6C2O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 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 [P6_3/m] _cell_length_a [10.0318] _cell_length_b [10...

0.707

0.311

0.2559

0.2141

MP

Li2FeSiO4

data_[Li4Fe2Si2O8] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.4904] _cell_length_b [5.034...

3.189

0.022

0.5628

0.0285

MP

KMnF3

data_[K4Mn4F12] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [6.0230] _cell_length_b [6.0230] _cell_length_c [8.5380] _cel...

2.677

0.001

0.5214

0.0024

MP

Mg2CrGa3S8

data_[Mg6Cr3Ga9S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.3067] _cell_length_b [7.30...

1.115

0.086

0.335

0.0827

MP

Li3N

data_[Li6N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.5645] _cell_length_b [3.5645] _cell_length_c [6.3490] _cell_angle_alpha [90.0000] _cell...

1.218

0.004

0.3519

0.0073

MP

FeSi

data_[Fe4Si4] 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 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [4.4482] _cell_length_b [4.4482] _cell_length_c [4.4482] _cell_angle_alpha [90.0000] _cell_...

0.18

0.0

0.1001

0.0

MP

Mo2W(SeS2)2

data_[Mo2W1Se2S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 Se 2.5500 1.1500 1.0133 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.2342] _cell_length_b [3.2342...

0.586

0.066

0.2273

0.0675

MP

V(PO3)4

data_[V4P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [12.8665] _cell_length_b [8.4106] _cell_length_c [9.1947] _cell_...

1.646

0.009

0.413

0.014

MP

Ca(YTe2)2

data_[Ca1Y2Te4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Y 1.2200 1.8000 1.0400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.5438] _cell_length_b [4.4220] _cell_length_c [7.7625] _cell...

0.611

0.01

0.2334

0.0152

MP

Al2O3

data_[Al12O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.2232] _cell_length_b [5.3455] _cell_length_c [20.0077] _cell_angle_alpha [91.3191] _cell_an...

3.108

0.195

0.5566

0.1532

MP

K3InF6

data_[K96In32F192] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 In 1.7800 1.5500 0.9400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fd-3] _cell_length_a [18.1901] _cell_length_b [18.1901] _cell_length_c [18.1901] ...

5.21

0.004

0.6835

0.0073

MP

Ba4In2Te2Se5

data_[Ba8In4Te4Se10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 Te 2.1000 1.4000 1.2933 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [8.7622] _cell_length_b [...

1.843

0.01

0.4372

0.0152

MP

NaLi3SiO4

data_[Na16Li48Si16O64] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [10.8746] _cell_length_b...

4.599

0.0

0.6523

0.0

MP

Li3VCr2O6

data_[Li6V2Cr4O12] 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 [C2/m] _cell_length_a [13.0209] _cell_length_b [2.972...

1.927

0.002

0.447

0.0042

MP

Sr14Al8Ge3

data_[Sr84Al48Ge18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Al 1.6100 1.2500 0.6750 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [12.0053] _cell_length_b [12.0053] _cell_length_c [40.1594...

0.056

0.0

0.0412

0.0

MP

Ba3InIr2O9

data_[Ba6In2Ir4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 Ir 2.2000 1.3500 0.7650 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.9031] _cell_length_b [...

0.016

0.0

0.0153

0.0

MP

CaPr2Mn3O9

data_[Ca1Pr2Mn3O9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Pr 1.1300 1.8500 1.0600 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.5174] _cell_length_b [5.9610]...

0.314

0.303

0.1495

0.2102

MP

K2SmPCO7

data_[K4Sm2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sm 1.1700 1.8500 1.2290 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 [...

4.494

0.037

0.6465

0.0429

MP

Ba3Ti4Sb4O21

data_[Ba12Ti16Sb16O84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ti 1.5400 1.4000 0.8517 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [15.7491] _cell_length_b [...

2.401

0.029

0.4963

0.0354

MP

Cs3BP2

data_[Cs12B4P8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.9711] _cell_length_b [9.8302] _cell_length_c [9.9150] _cell_...

1.696

0.0

0.4194

0.0

MP

Na3Mg3In(SO4)6

data_[Na6Mg6In2S12O48] 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 In 1.7800 1.5500 0.9400 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a ...

3.767

0.0

0.6031

0.0

MP

Hf3N2O3

data_[Hf12N8O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [3.9587] _cell_length_b [10.6476] _cell_length_c [10.7360] _...

3.289

0.071

0.5702

0.0714

MP

SrCrP2O7

data_[Sr4Cr4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [5.4947] _cell_length_b [8.4384] ...

3.132

0.0

0.5585

0.0

MP

Li6Fe3Co(PO4)6

data_[Li6Fe3Co1P6O24] 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 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...

1.73

0.061

0.4236

0.0635

MP

Ca3Si2O7

data_[Ca24Si16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ima2] _cell_length_a [22.2322] _cell_length_b [5.1391] _cell_length_c [11.5546] ...

4.659

0.002

0.6555

0.0042

MP

Hg4As2I3

data_[Hg32As16I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 As 2.1800 1.1500 0.6600 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [13.3957] _cell_length_b [13.3957] _cell_length_c [13.3957]...

0.668

0.009

0.247

0.014