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	Li2TiCr3O8	data_[Li16Ti8Cr24O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C222_1] _cell_length_a [11.8529] _cell_length_b ...	0.744	0.017	0.264	0.0232
MP	CsInS2	data_[Cs16In16S32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 In 1.7800 1.5500 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.4352] _cell_length_b [11.4334] _cell_length_c [16.5846]...	2.478	0.0	0.5035	0.0
MP	Cd2Cl4O5	data_[Cd8Cl16O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 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 [9.9857] _cell_length_b [11.6594] _cell_length_c [14.4235]...	0.735	0.449	0.2621	0.2754
MP	Cu2Bi8Pb2S15	data_[Cu8Bi32Pb8S60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Bi 2.0200 1.6000 1.0350 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.6952] _cell_length_b [4....	0.601	0.005	0.231	0.0088
MP	SiO2	data_[Si56O112] 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 [C2/c] _cell_length_a [25.3137] _cell_length_b [5.0850] _cell_length_c [24.6950] _cell_angle_alpha [90.0000] _cel...	5.876	0.012	0.7138	0.0176
MP	K2Ag6Sn3S10	data_[K8Ag24Sn12S40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ag 1.9300 1.6000 1.0867 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [24.7610] _cell_length_b [6.4...	0.793	0.0	0.2745	0.0
MP	RbNpN3O11	data_[Rb6Np6N18O66] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Np 1.3600 1.7500 1.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [9.6707] _cell_length_b [9.670...	0.097	0.0	0.0629	0.0
MP	K2Se5	data_[K8Se20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [6.6734] _cell_length_b [6.9483] _cell_length_c [19.8126] _cell_angle_alpha [90.0000] _...	1.028	0.293	0.3199	0.2053
MP	Tb3SbO7	data_[Tb12Sb4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C222_1] _cell_length_a [7.5354] _cell_length_b [10.6271] _cell_length_c [7.5524] ...	3.012	0.0	0.5492	0.0
MP	SiC	data_[Si39C39] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.0942] _cell_length_b [3.0942] _cell_length_c [98.7097] _cell_angle_alpha [90.0000] _cell_...	1.636	0.001	0.4117	0.0024
MP	Ga2TeO6	data_[Ga4Te2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [4.6257] _cell_length_b [4.6257] _cell_length_c [9.1072] ...	0.734	0.0	0.2618	0.0
MP	Li10Sn(PS6)2	data_[Li20Sn2P4S24] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P4_2mc] _cell_length_a [8.8542] _cell_length_b [8.8...	2.273	0.035	0.4838	0.0411
MP	Na2CoPCO7	data_[Na4Co2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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_name_H-M [P2_1/m] _cell_length_a...	0.844	0.027	0.285	0.0335
MP	Os3C10(BrO5)2	data_[Os12C40Br8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 C 2.5500 0.7000 0.3000 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [16.7546] _cell_length_b [8.280...	0.568	0.445	0.2228	0.2737
MP	CaFe5O7	data_[Ca4Fe20O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.0941] _cell_length_b [10.2813] _cell_length_c [18.3785] _...	1.247	0.046	0.3565	0.0509
MP	CoHCO3	data_[Co18H18C18O54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 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 [R-3] _cell_length_a [10.9154] _cell_length_b [10.91...	1.982	0.34	0.4532	0.2279
MP	Na6NiO4	data_[Na12Ni2O8] 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 [P4_2/nmc] _cell_length_a [7.4941] _cell_length_b [7.4941] _cell_length_c [5.4624] ...	1.792	0.029	0.4312	0.0354
MP	BaC2	data_[Ba3C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.2376] _cell_length_b [5.2376] _cell_length_c [7.4579] _cell_angle_alpha [90.0000] _cell_ang...	1.375	0.241	0.3759	0.1786
MP	Rb2Mo6H2Cl14O	data_[Rb8Mo24H8Cl56O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Mo 2.1600 1.4500 0.7750 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a ...	1.557	0.504	0.4014	0.2973
MP	SbOF	data_[Sb12O12F12] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.0600] _cell_length_b [10.7765] _cell_length_c [9.3751] _...	3.588	0.022	0.5912	0.0285
MP	Cs2PbClF6	data_[Cs8Pb4Cl4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.9494] _cell_length_b [9.9...	0.099	0.0	0.0639	0.0
MP	LiCr(WO4)2	data_[Li4Cr4W8O32] 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 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 [9.3895] _cell_length_b [11.498...	2.417	0.007	0.4978	0.0115
MP	Zr6B(Cl3O4)6	data_[Zr12B2Cl36O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [Im-3m] _cell_length_a [13.9851] _cell_length_b [13...	1.252	0.797	0.3573	0.3971
MP	FeB4O7	data_[Fe4B16O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [10.9238] _cell_length_b [6.6529] _cell_length_c [5.2334] _cel...	2.68	0.012	0.5217	0.0176
MP	Rb3Ti3(PO4)5	data_[Rb12Ti12P20O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 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 [Pbcm] _cell_length_a [6.3751] _cell_length_b [18....	2.597	0.0	0.5144	0.0
MP	Sr2LuNbO6	data_[Sr8Lu4Nb4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Lu 1.2700 1.7500 1.0010 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.3314] _cell_length_b [8.3...	2.897	0.048	0.54	0.0526
MP	LiSiPCO7	data_[Li2Si2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Si 1.9000 1.1000 0.5400 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [...	5.918	0.094	0.7156	0.0886
MP	Na3HoCl6	data_[Na6Ho2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ho 1.2300 1.7500 1.0410 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.9176] _cell_length_b [7.3140] _cell_length_c [12.3063]...	5.23	0.0	0.6844	0.0
MP	Al3H36C12N3F4	data_[Al6H72C24N6F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [8.5...	0.04	0.358	0.0316	0.2361
MP	KZr2(AsO4)3	data_[K6Zr12As18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Zr 1.3300 1.5500 0.8600 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [9.2537] _cell_length_b [9.25...	3.996	0.0	0.6175	0.0
MP	ZnAgF3	data_[Zn1Ag1F3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ag 1.9300 1.6000 1.0867 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.0731] _cell_length_b [4.0731] _cell_length_c [4.0731] _cel...	1.585	0.054	0.4051	0.0577
MP	Cs3Zr2I9	data_[Cs6Zr4I18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Zr 1.3300 1.5500 0.8600 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [8.6028] _cell_length_b [8.6028] _cell_length_c [20.5433]...	0.396	0.0	0.1754	0.0
MP	MnCO3	data_[Mn4C4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.9708] _cell_length_b [5.3352] _cell_length_c [6.9394] _cel...	0.157	0.273	0.0905	0.1953
MP	VOF2	data_[V12O12F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [9.0652] _cell_length_b [5.2034] _cell_length_c [13.3856] _cell_a...	1.772	0.005	0.4288	0.0088
MP	Li8SbS6	data_[Li16Sb2S12] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3cm] _cell_length_a [7.0666] _cell_length_b [7.0666] _cell_length_c [13.4617] ...	0.069	0.064	0.0484	0.0659
MP	LuBr3	data_[Lu2Br6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [10.4703] _cell_length_b [10.4703] _cell_length_c [3.6491] _cell_angle_alpha [90.0000] _...	3.067	0.0	0.5535	0.0
MP	Li4H6Ru	data_[Li24H36Ru6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 H 2.2000 0.2500 0.0000 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [8.1415] _cell_length_b [8.1415] _cell_length_c [9.9525] _ce...	2.388	0.0	0.495	0.0
MP	Au2Se3O10	data_[Au8Se12O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Au 2.5400 1.3500 1.0700 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [17.4463] _cell_length_b [6.4090] _cell_length_c [8.8620] ...	0.941	0.0	0.3039	0.0
MP	MgCdTe2	data_[Mg3Cd3Te6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Cd 1.6900 1.5500 1.0900 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.6523] _cell_length_b [4.6523] _cell_length_c [22.7178] _ce...	1.234	0.005	0.3545	0.0088
MP	LiIrO2	data_[Li12Ir12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ir 2.2000 1.3500 0.7650 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [5.5239] _cell_length_b [9.6193] _cell_length_c [9.4136] _c...	1.423	0.163	0.3829	0.1342
MP	KAlH6(OF3)2	data_[K4Al4H24O8F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Al 1.6100 1.2500 0.6750 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [8...	7.142	0.0	0.7634	0.0
MP	Sr3AlSb3	data_[Sr24Al8Sb24] 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 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [20.6324] _cell_length_b [6.9651] _cell_length_c [13.6388]...	0.537	0.0	0.2148	0.0
MP	GaAgO2	data_[Ga3Ag3O6] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [3.0097] _cell_length_b [3.0097] _cell_length_c [18.5738] _cell...	0.304	0.085	0.1461	0.082
MP	LiCrO2	data_[Li2Cr2O4] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9293] _cell_length_b [2.9293] _cell_length_c [9.9773] _ce...	2.967	0.034	0.5456	0.0402
MP	AsS(ClF2)3	data_[As4S4Cl12F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [8.0760] _cell_length_b ...	3.795	0.0	0.6049	0.0
MP	Na2GeO3	data_[Na8Ge4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [10.9599] _cell_length_b [6.3139] _cell_length_c [4.9994] _...	2.987	0.0	0.5472	0.0
MP	TmCu(BO2)5	data_[Tm4Cu4B20O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Cu 1.9000 1.3500 0.8200 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [6.3062] _cell_length_b [8.551...	0.6	0.008	0.2308	0.0128
MP	Rb2NaBiCl6	data_[Rb8Na4Bi4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Na 0.9300 1.8000 1.1600 Bi 2.0200 1.6000 1.0350 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.9520] _cell_length_b [...	3.734	0.0	0.6009	0.0
MP	Ba3NbGa3(SiO7)2	data_[Ba3Nb1Ga3Si2O14] 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 Ga 1.8100 1.3000 0.7600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length...	3.296	0.0	0.5707	0.0
MP	SbCl2F3	data_[Sb12Cl24F36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.9315] _cell_length_b [10.8225] _cell_length_c [17.599...	1.913	0.0	0.4454	0.0
MP	NaPr4I7N2	data_[Na4Pr16I28N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Pr 1.1300 1.8500 1.0600 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [14.5153] _cell_length_b [11...	2.719	0.0	0.5251	0.0
MP	Sr3Ga4O9	data_[Sr6Ga8O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.8247] _cell_length_b [8.1362] _cell_length_c [9.8352] _cell...	2.895	0.0	0.5398	0.0
MP	Ga(MoSe2)4	data_[Ga3Mo12Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Mo 2.1600 1.4500 0.7750 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [7.3292] _cell_length_b [7.3292] _cell_length_c [17.6230] _...	0.205	0.059	0.1101	0.0618
MP	Li2YPCO7	data_[Li4Y2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Y 1.2200 1.8000 1.0400 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 [...	5.024	0.095	0.6743	0.0893
MP	Mg30ZnCoO32	data_[Mg30Zn1Co1O32] 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 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5231] _cell_length_b [8...	1.399	0.019	0.3794	0.0254
MP	LiFe2(ClO)2	data_[Li6Fe12Cl12O12] 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 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.2914] _cell_length_b [24...	1.751	0.064	0.4262	0.0659
MP	LiLa5Si4N10O	data_[Li1La5Si4N10O1] 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 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...	2.393	0.0	0.4955	0.0
MP	EuPSe3	data_[Eu4P4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.0360] _cell_length_b [7.8211] _cell_length_c [11.8463] _...	0.493	0.0	0.2031	0.0
MP	RbH(CO2)2	data_[Rb4H4C8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 H 2.2000 0.2500 0.0000 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 [4.3225] _cell_length_b [13.845...	3.095	0.025	0.5556	0.0315
MP	Mg16Si8HO32	data_[Mg16Si8H1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [9.6148] _cell_length_b [6.0621]...	1.904	0.049	0.4443	0.0535
MP	Li2NiH12(SO7)2	data_[Li4Ni2H24S4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ni 1.9100 1.3500 0.7400 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...	4.845	0.045	0.6653	0.0501
MP	Li4NCl	data_[Li12N3Cl3] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.6594] _cell_length_b [3.6594] _cell_length_c [19.9301] _ce...	1.762	0.0	0.4275	0.0
MP	ZrCrAgS4	data_[Zr1Cr1Ag1S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cr 1.6600 1.4000 0.9400 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [6.1504] _cell_length_b [3.617...	0.525	0.026	0.2117	0.0325
MP	Mn3SnO8	data_[Mn9Sn3O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.8296] _cell_length_b [5.8296] _cell_length_c [15.3922] _ce...	1.314	0.108	0.3668	0.0985
MP	H3I3N2	data_[H6I6N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.3252] _cell_length_b [7.7332] _cell_length_c [7.3990] _cell_a...	0.835	0.471	0.2832	0.2843
MP	Li2CuN	data_[Li8Cu4N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [7.0200] _cell_length_b [4.9646] _cell_length_c [5.2001] _cell...	0.324	0.0	0.1528	0.0
MP	Li2MnBr4	data_[Li8Mn4Br16] 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 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.9539] _cell_length_b [7.9813] _cell_length_c [10.5718] _...	1.639	0.064	0.4121	0.0659
MP	Ni6OF11	data_[Ni6O1F11] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [4.7352] _cell_length_b [3.0957] _cell_length_c [13.9146] _cell_a...	0.607	0.039	0.2325	0.0447
MP	Nb(SBr)2	data_[Nb4S8Br8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 S 2.5800 1.0000 0.8800 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.7242] _cell_length_b [11.4828] _cell_length_c [7.1873] _cel...	1.411	0.001	0.3811	0.0024
MP	Nd2MnGaO6	data_[Nd4Mn2Ga2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Mn 1.5500 1.4000 0.6483 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.4733] _cell_length_b [5....	1.211	0.029	0.3508	0.0354
MP	NaZnBP2O11	data_[Na6Zn6B6P12O66] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zn 1.6500 1.3500 0.8800 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_122] _cell_length_...	0.768	0.47	0.2692	0.2839
MP	Ba4La2SbRuO12	data_[Ba4La2Sb1Ru1O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 La 1.1000 1.9500 1.1720 Sb 2.0500 1.4500 0.8300 Ru 2.2000 1.3000 0.6610 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_...	0.758	0.001	0.2671	0.0024
MP	Fe5Sb(PO4)6	data_[Fe15Sb3P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 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 [R3] _cell_length_a [8.6903] _cell_length_b [8.6903...	2.194	0.031	0.4758	0.0374
MP	SmClO	data_[Sm2Cl2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.0136] _cell_length_b [4.0136] _cell_length_c [6.7948] _ce...	4.876	0.0	0.6668	0.0
MP	In10(Pb2S7)3	data_[In20Pb12S42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [27.9992] _cell_length_b [3.9140] _cell_length_c [15.9399] ...	1.07	0.013	0.3273	0.0188
MP	NiPO4	data_[Ni4P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.0517] _cell_length_b [10.0299] _cell_length_c [8.7079] _ce...	1.178	0.155	0.3455	0.1293
MP	Tl2SnS3	data_[Tl8Sn4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [23.6242] _cell_length_b [3.9153] _cell_length_c [7.5282] _ce...	0.954	0.024	0.3064	0.0305
MP	VSiP2O9	data_[V4Si4P8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P4/ncc] _cell_length_a [8.9530] _cell_length_b [8.9530...	2.793	0.029	0.5314	0.0354
MP	MnC2S2(NO6)2	data_[Mn1C2S2N2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9...	0.218	1.039	0.1152	0.4643
MP	Li4Co3Sn5O16	data_[Li8Co6Sn10O32] 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 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.1423] _cell_length_b [9.864...	0.5	0.039	0.205	0.0447
MP	ScTlS2	data_[Sc2Tl2S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.8043] _cell_length_b [3.8043] _cell_length_c [15.0151] ...	0.933	0.0	0.3024	0.0
MP	LiMg30MnO32	data_[Li1Mg30Mn1O32] 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 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5196] _cell_length_b [8...	1.53	0.004	0.3977	0.0073
MP	LiMnPO4	data_[Li4Mn4P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.3559] _cell_length_b [5.6197...	3.288	0.023	0.5701	0.0295
MP	LuOF	data_[Lu4O4F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 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 [5.4703] _cell_length_b [5.4000] _cell_length_c [5.4916] _cell...	5.013	0.0	0.6738	0.0
MP	Nb6Tl2VCl18	data_[Nb18Tl6V3Cl54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [9.2931] _cell_length_b [9.29...	0.26	0.024	0.1308	0.0305
MP	Mn2OF3	data_[Mn8O4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pnma] _cell_length_a [10.6320] _cell_length_b [6.0319] _cell_length_c [4.8088] _cell...	0.993	0.061	0.3136	0.0635
MP	Te4Mo2WSe2	data_[Te4Mo2W1Se2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.4777] _cell_length_b [3.477...	0.046	0.084	0.0353	0.0813
MP	HfMg30ZnO32	data_[Hf1Mg30Zn1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6203] _cell_length_b [8...	0.639	0.096	0.2402	0.09
MP	Na3CrO4	data_[Na12Cr4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.3514] _cell_length_b [7.1486] _cell_length_c [5.6615] _c...	1.034	0.0	0.321	0.0
MP	K2BeH4(SO5)2	data_[K8Be4H16S8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Be 1.5700 1.0500 0.5900 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a ...	5.438	0.0	0.6942	0.0
MP	Te4As2S(OF6)2	data_[Te16As8S4O8F48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...	1.237	0.128	0.355	0.112
MP	Ca2SnS4	data_[Ca4Sn2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [7.0850] _cell_length_b [11.5192] _cell_length_c [3.9759] _cel...	0.867	0.028	0.2896	0.0345
MP	Li2FeCo9O20	data_[Li2Fe1Co9O20] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.9349] _cell_length_b [7.508...	0.051	0.033	0.0383	0.0392
MP	BaLa2O4	data_[Ba8La16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 La 1.1000 1.9500 1.1720 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.5467] _cell_length_b [10.5467] _cell_length_c [10.5467]...	3.703	0.024	0.5989	0.0305
MP	Na3GdV2O8	data_[Na3Gd1V2O8] 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 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.9586] _cell_length_b [5.9586...	3.447	0.069	0.5815	0.0698
MP	Tb2(MoO4)3	data_[Tb8Mo12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pba2] _cell_length_a [10.5582] _cell_length_b [10.5675] _cell_length_c [10.7500] ...	3.364	0.0	0.5756	0.0
MP	Li4Ni7O12	data_[Li12Ni21O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.9863] _cell_length_b [9.6807] _cell_length_c [13.2973] _ce...	0.025	0.034	0.0219	0.0402
MP	K3CrO8	data_[K6Cr2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [6.8194] _cell_length_b [6.8194] _cell_length_c [7.8253] _cell...	1.819	0.311	0.4344	0.2141
MP	Ca2SnS4	data_[Ca8Sn4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [9.9564] _cell_length_b [10.2283] _cell_length_c [8.9255] _ce...	0.872	0.42	0.2906	0.2633
MP	Tm2MgSe4	data_[Tm8Mg4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Mg 1.3100 1.5000 0.8600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.3920] _cell_length_b [8.5625] _cell_length_c [13.8026] _c...	2.264	0.193	0.4829	0.152

MP

Li2TiCr3O8

data_[Li16Ti8Cr24O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C222_1] _cell_length_a [11.8529] _cell_length_b ...

0.744

0.017

0.264

0.0232

MP

CsInS2

data_[Cs16In16S32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 In 1.7800 1.5500 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.4352] _cell_length_b [11.4334] _cell_length_c [16.5846]...

2.478

0.0

0.5035

0.0

MP

Cd2Cl4O5

data_[Cd8Cl16O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 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 [9.9857] _cell_length_b [11.6594] _cell_length_c [14.4235]...

0.735

0.449

0.2621

0.2754

MP

Cu2Bi8Pb2S15

data_[Cu8Bi32Pb8S60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Bi 2.0200 1.6000 1.0350 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.6952] _cell_length_b [4....

0.601

0.005

0.231

0.0088

MP

SiO2

data_[Si56O112] 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 [C2/c] _cell_length_a [25.3137] _cell_length_b [5.0850] _cell_length_c [24.6950] _cell_angle_alpha [90.0000] _cel...

5.876

0.012

0.7138

0.0176

MP

K2Ag6Sn3S10

data_[K8Ag24Sn12S40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ag 1.9300 1.6000 1.0867 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [24.7610] _cell_length_b [6.4...

0.793

0.0

0.2745

0.0

MP

RbNpN3O11

data_[Rb6Np6N18O66] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Np 1.3600 1.7500 1.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [9.6707] _cell_length_b [9.670...

0.097

0.0

0.0629

0.0

MP

K2Se5

data_[K8Se20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [6.6734] _cell_length_b [6.9483] _cell_length_c [19.8126] _cell_angle_alpha [90.0000] _...

1.028

0.293

0.3199

0.2053

MP

Tb3SbO7

data_[Tb12Sb4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C222_1] _cell_length_a [7.5354] _cell_length_b [10.6271] _cell_length_c [7.5524] ...

3.012

0.0

0.5492

0.0

MP

SiC

data_[Si39C39] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.0942] _cell_length_b [3.0942] _cell_length_c [98.7097] _cell_angle_alpha [90.0000] _cell_...

1.636

0.001

0.4117

0.0024

MP

Ga2TeO6

data_[Ga4Te2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [4.6257] _cell_length_b [4.6257] _cell_length_c [9.1072] ...

0.734

0.0

0.2618

0.0

MP

Li10Sn(PS6)2

data_[Li20Sn2P4S24] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P4_2mc] _cell_length_a [8.8542] _cell_length_b [8.8...

2.273

0.035

0.4838

0.0411

MP

Na2CoPCO7

data_[Na4Co2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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_name_H-M [P2_1/m] _cell_length_a...

0.844

0.027

0.285

0.0335

MP

Os3C10(BrO5)2

data_[Os12C40Br8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 C 2.5500 0.7000 0.3000 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [16.7546] _cell_length_b [8.280...

0.568

0.445

0.2228

0.2737

MP

CaFe5O7

data_[Ca4Fe20O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.0941] _cell_length_b [10.2813] _cell_length_c [18.3785] _...

1.247

0.046

0.3565

0.0509

MP

CoHCO3

data_[Co18H18C18O54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 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 [R-3] _cell_length_a [10.9154] _cell_length_b [10.91...

1.982

0.34

0.4532

0.2279

MP

Na6NiO4

data_[Na12Ni2O8] 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 [P4_2/nmc] _cell_length_a [7.4941] _cell_length_b [7.4941] _cell_length_c [5.4624] ...

1.792

0.029

0.4312

0.0354

MP

BaC2

data_[Ba3C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.2376] _cell_length_b [5.2376] _cell_length_c [7.4579] _cell_angle_alpha [90.0000] _cell_ang...

1.375

0.241

0.3759

0.1786

MP

Rb2Mo6H2Cl14O

data_[Rb8Mo24H8Cl56O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Mo 2.1600 1.4500 0.7750 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a ...

1.557

0.504

0.4014

0.2973

MP

SbOF

data_[Sb12O12F12] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.0600] _cell_length_b [10.7765] _cell_length_c [9.3751] _...

3.588

0.022

0.5912

0.0285

MP

Cs2PbClF6

data_[Cs8Pb4Cl4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.9494] _cell_length_b [9.9...

0.099

0.0

0.0639

0.0

MP

LiCr(WO4)2

data_[Li4Cr4W8O32] 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 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 [9.3895] _cell_length_b [11.498...

2.417

0.007

0.4978

0.0115

MP

Zr6B(Cl3O4)6

data_[Zr12B2Cl36O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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 [Im-3m] _cell_length_a [13.9851] _cell_length_b [13...

1.252

0.797

0.3573

0.3971

MP

FeB4O7

data_[Fe4B16O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [10.9238] _cell_length_b [6.6529] _cell_length_c [5.2334] _cel...

2.68

0.012

0.5217

0.0176

MP

Rb3Ti3(PO4)5

data_[Rb12Ti12P20O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 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 [Pbcm] _cell_length_a [6.3751] _cell_length_b [18....

2.597

0.0

0.5144

0.0

MP

Sr2LuNbO6

data_[Sr8Lu4Nb4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Lu 1.2700 1.7500 1.0010 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.3314] _cell_length_b [8.3...

2.897

0.048

0.54

0.0526

MP

LiSiPCO7

data_[Li2Si2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Si 1.9000 1.1000 0.5400 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [...

5.918

0.094

0.7156

0.0886

MP

Na3HoCl6

data_[Na6Ho2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ho 1.2300 1.7500 1.0410 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.9176] _cell_length_b [7.3140] _cell_length_c [12.3063]...

5.23

0.0

0.6844

0.0

MP

Al3H36C12N3F4

data_[Al6H72C24N6F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [8.5...

0.04

0.358

0.0316

0.2361

MP

KZr2(AsO4)3

data_[K6Zr12As18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Zr 1.3300 1.5500 0.8600 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [9.2537] _cell_length_b [9.25...

3.996

0.0

0.6175

0.0

MP

ZnAgF3

data_[Zn1Ag1F3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ag 1.9300 1.6000 1.0867 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.0731] _cell_length_b [4.0731] _cell_length_c [4.0731] _cel...

1.585

0.054

0.4051

0.0577

MP

Cs3Zr2I9

data_[Cs6Zr4I18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Zr 1.3300 1.5500 0.8600 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [8.6028] _cell_length_b [8.6028] _cell_length_c [20.5433]...

0.396

0.0

0.1754

0.0

MP

MnCO3

data_[Mn4C4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.9708] _cell_length_b [5.3352] _cell_length_c [6.9394] _cel...

0.157

0.273

0.0905

0.1953

MP

VOF2

data_[V12O12F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [9.0652] _cell_length_b [5.2034] _cell_length_c [13.3856] _cell_a...

1.772

0.005

0.4288

0.0088

MP

Li8SbS6

data_[Li16Sb2S12] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3cm] _cell_length_a [7.0666] _cell_length_b [7.0666] _cell_length_c [13.4617] ...

0.069

0.064

0.0484

0.0659

MP

LuBr3

data_[Lu2Br6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [10.4703] _cell_length_b [10.4703] _cell_length_c [3.6491] _cell_angle_alpha [90.0000] _...

3.067

0.0

0.5535

0.0

MP

Li4H6Ru

data_[Li24H36Ru6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 H 2.2000 0.2500 0.0000 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [8.1415] _cell_length_b [8.1415] _cell_length_c [9.9525] _ce...

2.388

0.0

0.495

0.0

MP

Au2Se3O10

data_[Au8Se12O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Au 2.5400 1.3500 1.0700 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [17.4463] _cell_length_b [6.4090] _cell_length_c [8.8620] ...

0.941

0.0

0.3039

0.0

MP

MgCdTe2

data_[Mg3Cd3Te6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Cd 1.6900 1.5500 1.0900 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.6523] _cell_length_b [4.6523] _cell_length_c [22.7178] _ce...

1.234

0.005

0.3545

0.0088

MP

LiIrO2

data_[Li12Ir12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ir 2.2000 1.3500 0.7650 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [5.5239] _cell_length_b [9.6193] _cell_length_c [9.4136] _c...

1.423

0.163

0.3829

0.1342

MP

KAlH6(OF3)2

data_[K4Al4H24O8F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Al 1.6100 1.2500 0.6750 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [8...

7.142

0.0

0.7634

0.0

MP

Sr3AlSb3

data_[Sr24Al8Sb24] 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 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [20.6324] _cell_length_b [6.9651] _cell_length_c [13.6388]...

0.537

0.0

0.2148

0.0

MP

GaAgO2

data_[Ga3Ag3O6] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [3.0097] _cell_length_b [3.0097] _cell_length_c [18.5738] _cell...

0.304

0.085

0.1461

0.082

MP

LiCrO2

data_[Li2Cr2O4] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [2.9293] _cell_length_b [2.9293] _cell_length_c [9.9773] _ce...

2.967

0.034

0.5456

0.0402

MP

AsS(ClF2)3

data_[As4S4Cl12F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [8.0760] _cell_length_b ...

3.795

0.0

0.6049

0.0

MP

Na2GeO3

data_[Na8Ge4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [10.9599] _cell_length_b [6.3139] _cell_length_c [4.9994] _...

2.987

0.0

0.5472

0.0

MP

TmCu(BO2)5

data_[Tm4Cu4B20O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Cu 1.9000 1.3500 0.8200 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [6.3062] _cell_length_b [8.551...

0.6

0.008

0.2308

0.0128

MP

Rb2NaBiCl6

data_[Rb8Na4Bi4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Na 0.9300 1.8000 1.1600 Bi 2.0200 1.6000 1.0350 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.9520] _cell_length_b [...

3.734

0.0

0.6009

0.0

MP

Ba3NbGa3(SiO7)2

data_[Ba3Nb1Ga3Si2O14] 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 Ga 1.8100 1.3000 0.7600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length...

3.296

0.0

0.5707

0.0

MP

SbCl2F3

data_[Sb12Cl24F36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.9315] _cell_length_b [10.8225] _cell_length_c [17.599...

1.913

0.0

0.4454

0.0

MP

NaPr4I7N2

data_[Na4Pr16I28N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Pr 1.1300 1.8500 1.0600 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [14.5153] _cell_length_b [11...

2.719

0.0

0.5251

0.0

MP

Sr3Ga4O9

data_[Sr6Ga8O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.8247] _cell_length_b [8.1362] _cell_length_c [9.8352] _cell...

2.895

0.0

0.5398

0.0

MP

Ga(MoSe2)4

data_[Ga3Mo12Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Mo 2.1600 1.4500 0.7750 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [7.3292] _cell_length_b [7.3292] _cell_length_c [17.6230] _...

0.205

0.059

0.1101

0.0618

MP

Li2YPCO7

data_[Li4Y2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Y 1.2200 1.8000 1.0400 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 [...

5.024

0.095

0.6743

0.0893

MP

Mg30ZnCoO32

data_[Mg30Zn1Co1O32] 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 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5231] _cell_length_b [8...

1.399

0.019

0.3794

0.0254

MP

LiFe2(ClO)2

data_[Li6Fe12Cl12O12] 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 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.2914] _cell_length_b [24...

1.751

0.064

0.4262

0.0659

MP

LiLa5Si4N10O

data_[Li1La5Si4N10O1] 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 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...

2.393

0.0

0.4955

0.0

MP

EuPSe3

data_[Eu4P4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.0360] _cell_length_b [7.8211] _cell_length_c [11.8463] _...

0.493

0.0

0.2031

0.0

MP

RbH(CO2)2

data_[Rb4H4C8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 H 2.2000 0.2500 0.0000 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 [4.3225] _cell_length_b [13.845...

3.095

0.025

0.5556

0.0315

MP

Mg16Si8HO32

data_[Mg16Si8H1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [9.6148] _cell_length_b [6.0621]...

1.904

0.049

0.4443

0.0535

MP

Li2NiH12(SO7)2

data_[Li4Ni2H24S4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ni 1.9100 1.3500 0.7400 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...

4.845

0.045

0.6653

0.0501

MP

Li4NCl

data_[Li12N3Cl3] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.6594] _cell_length_b [3.6594] _cell_length_c [19.9301] _ce...

1.762

0.0

0.4275

0.0

MP

ZrCrAgS4

data_[Zr1Cr1Ag1S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cr 1.6600 1.4000 0.9400 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [6.1504] _cell_length_b [3.617...

0.525

0.026

0.2117

0.0325

MP

Mn3SnO8

data_[Mn9Sn3O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.8296] _cell_length_b [5.8296] _cell_length_c [15.3922] _ce...

1.314

0.108

0.3668

0.0985

MP

H3I3N2

data_[H6I6N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.3252] _cell_length_b [7.7332] _cell_length_c [7.3990] _cell_a...

0.835

0.471

0.2832

0.2843

MP

Li2CuN

data_[Li8Cu4N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [7.0200] _cell_length_b [4.9646] _cell_length_c [5.2001] _cell...

0.324

0.0

0.1528

0.0

MP

Li2MnBr4

data_[Li8Mn4Br16] 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 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.9539] _cell_length_b [7.9813] _cell_length_c [10.5718] _...

1.639

0.064

0.4121

0.0659

MP

Ni6OF11

data_[Ni6O1F11] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [4.7352] _cell_length_b [3.0957] _cell_length_c [13.9146] _cell_a...

0.607

0.039

0.2325

0.0447

MP

Nb(SBr)2

data_[Nb4S8Br8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 S 2.5800 1.0000 0.8800 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.7242] _cell_length_b [11.4828] _cell_length_c [7.1873] _cel...

1.411

0.001

0.3811

0.0024

MP

Nd2MnGaO6

data_[Nd4Mn2Ga2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Mn 1.5500 1.4000 0.6483 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.4733] _cell_length_b [5....

1.211

0.029

0.3508

0.0354

MP

NaZnBP2O11

data_[Na6Zn6B6P12O66] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zn 1.6500 1.3500 0.8800 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_122] _cell_length_...

0.768

0.47

0.2692

0.2839

MP

Ba4La2SbRuO12

data_[Ba4La2Sb1Ru1O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 La 1.1000 1.9500 1.1720 Sb 2.0500 1.4500 0.8300 Ru 2.2000 1.3000 0.6610 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_...

0.758

0.001

0.2671

0.0024

MP

Fe5Sb(PO4)6

data_[Fe15Sb3P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 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 [R3] _cell_length_a [8.6903] _cell_length_b [8.6903...

2.194

0.031

0.4758

0.0374

MP

SmClO

data_[Sm2Cl2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.0136] _cell_length_b [4.0136] _cell_length_c [6.7948] _ce...

4.876

0.0

0.6668

0.0

MP

In10(Pb2S7)3

data_[In20Pb12S42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [27.9992] _cell_length_b [3.9140] _cell_length_c [15.9399] ...

1.07

0.013

0.3273

0.0188

MP

NiPO4

data_[Ni4P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.0517] _cell_length_b [10.0299] _cell_length_c [8.7079] _ce...

1.178

0.155

0.3455

0.1293

MP

Tl2SnS3

data_[Tl8Sn4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [23.6242] _cell_length_b [3.9153] _cell_length_c [7.5282] _ce...

0.954

0.024

0.3064

0.0305

MP

VSiP2O9

data_[V4Si4P8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P4/ncc] _cell_length_a [8.9530] _cell_length_b [8.9530...

2.793

0.029

0.5314

0.0354

MP

MnC2S2(NO6)2

data_[Mn1C2S2N2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9...

0.218

1.039

0.1152

0.4643

MP

Li4Co3Sn5O16

data_[Li8Co6Sn10O32] 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 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.1423] _cell_length_b [9.864...

0.5

0.039

0.205

0.0447

MP

ScTlS2

data_[Sc2Tl2S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.8043] _cell_length_b [3.8043] _cell_length_c [15.0151] ...

0.933

0.0

0.3024

0.0

MP

LiMg30MnO32

data_[Li1Mg30Mn1O32] 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 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5196] _cell_length_b [8...

1.53

0.004

0.3977

0.0073

MP

LiMnPO4

data_[Li4Mn4P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.3559] _cell_length_b [5.6197...

3.288

0.023

0.5701

0.0295

MP

LuOF

data_[Lu4O4F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 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 [5.4703] _cell_length_b [5.4000] _cell_length_c [5.4916] _cell...

5.013

0.0

0.6738

0.0

MP

Nb6Tl2VCl18

data_[Nb18Tl6V3Cl54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 V 1.6300 1.3500 0.7775 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [9.2931] _cell_length_b [9.29...

0.26

0.024

0.1308

0.0305

MP

Mn2OF3

data_[Mn8O4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pnma] _cell_length_a [10.6320] _cell_length_b [6.0319] _cell_length_c [4.8088] _cell...

0.993

0.061

0.3136

0.0635

MP

Te4Mo2WSe2

data_[Te4Mo2W1Se2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.4777] _cell_length_b [3.477...

0.046

0.084

0.0353

0.0813

MP

HfMg30ZnO32

data_[Hf1Mg30Zn1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6203] _cell_length_b [8...

0.639

0.096

0.2402

0.09

MP

Na3CrO4

data_[Na12Cr4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.3514] _cell_length_b [7.1486] _cell_length_c [5.6615] _c...

1.034

0.0

0.321

0.0

MP

K2BeH4(SO5)2

data_[K8Be4H16S8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Be 1.5700 1.0500 0.5900 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a ...

5.438

0.0

0.6942

0.0

MP

Te4As2S(OF6)2

data_[Te16As8S4O8F48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...

1.237

0.128

0.355

0.112

MP

Ca2SnS4

data_[Ca4Sn2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [7.0850] _cell_length_b [11.5192] _cell_length_c [3.9759] _cel...

0.867

0.028

0.2896

0.0345

MP

Li2FeCo9O20

data_[Li2Fe1Co9O20] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.9349] _cell_length_b [7.508...

0.051

0.033

0.0383

0.0392

MP

BaLa2O4

data_[Ba8La16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 La 1.1000 1.9500 1.1720 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.5467] _cell_length_b [10.5467] _cell_length_c [10.5467]...

3.703

0.024

0.5989

0.0305

MP

Na3GdV2O8

data_[Na3Gd1V2O8] 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 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.9586] _cell_length_b [5.9586...

3.447

0.069

0.5815

0.0698

MP

Tb2(MoO4)3

data_[Tb8Mo12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pba2] _cell_length_a [10.5582] _cell_length_b [10.5675] _cell_length_c [10.7500] ...

3.364

0.0

0.5756

0.0

MP

Li4Ni7O12

data_[Li12Ni21O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.9863] _cell_length_b [9.6807] _cell_length_c [13.2973] _ce...

0.025

0.034

0.0219

0.0402

MP

K3CrO8

data_[K6Cr2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a [6.8194] _cell_length_b [6.8194] _cell_length_c [7.8253] _cell...

1.819

0.311

0.4344

0.2141

MP

Ca2SnS4

data_[Ca8Sn4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [9.9564] _cell_length_b [10.2283] _cell_length_c [8.9255] _ce...

0.872

0.42

0.2906

0.2633

MP

Tm2MgSe4

data_[Tm8Mg4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Mg 1.3100 1.5000 0.8600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.3920] _cell_length_b [8.5625] _cell_length_c [13.8026] _c...

2.264

0.193

0.4829

0.152