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	Li2FeO2F	data_[Li16Fe8O16F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [5.1294] _cell_length_b [9.056...	2.01	0.101	0.4563	0.0936
MP	C2O3F2	data_[C16O24F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [6.6858] _cell_length_b [7.2805] _cell_length_c [16.6939]...	5.308	0.165	0.6881	0.1354
MP	Rb2NaCr(CN)6	data_[Rb4Na2Cr2C12N12] 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 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_lengt...	0.332	0.186	0.1554	0.1479
MP	K3InC12(O2F3)6	data_[K3In1C12O12F18] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [1...	4.619	0.152	0.6533	0.1274
MP	HfCrAgS4	data_[Hf4Cr4Ag4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [P1] _cell_length_a [6.1318] _cell_length_b [7.1151...	0.93	0.043	0.3019	0.0483
MP	C	data_[C280] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [10.1088] _cell_length_b [17.4123] _cell_length_c [18.0000] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_ang...	1.103	0.35	0.333	0.2325
MP	Co3Ag2(P2O7)2	data_[Co6Ag4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Ag 1.9300 1.6000 1.0867 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 [5.4058] _cell_length_b [6.4384]...	2.065	0.005	0.4622	0.0088
MP	K5RbZn4Sn5S17	data_[K5Rb1Zn4Sn5S17] 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 Zn 1.6500 1.3500 0.8800 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...	1.561	0.0	0.4019	0.0
MP	Na3PS4	data_[Na6P2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-42_1c] _cell_length_a [7.0193] _cell_length_b [7.0193] _cell_length_c [7.1526] _cel...	2.292	0.0	0.4857	0.0
MP	Cs2RbAsCl6	data_[Cs8Rb4As4Cl24] 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 As 2.1800 1.1500 0.6600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.2966] _cell_length_b [...	3.469	0.033	0.583	0.0392
MP	V2Zn2O7	data_[V4Zn4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.4973] _cell_length_b [8.6845] _cell_length_c [5.0794] _cell_...	2.013	0.031	0.4566	0.0374
MP	Li32Mn13Cr3O48	data_[Li32Mn13Cr3O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.9982] _cell_length_b [8.67...	1.254	0.014	0.3576	0.0199
MP	LiCaN	data_[Li4Ca4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ca 1.0000 1.8000 1.1400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.5058] _cell_length_b [3.6747] _cell_length_c [5.5526] _cell...	1.378	0.0	0.3764	0.0
MP	Sr2TaInO6	data_[Sr4Ta2In2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ta 1.5000 1.4500 0.8200 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.0240] _cell_length_b [5.8...	3.791	0.005	0.6046	0.0088
MP	KInSe2	data_[K16In16Se32] 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 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.6785] _cell_length_b [11.6724] _cell_length_c [15.9591]...	1.844	0.0	0.4374	0.0
MP	SnH12C6(NO2)2	data_[Sn8H96C48N16O32] 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 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a ...	4.244	0.125	0.6323	0.11
MP	Li2Fe2SiO6	data_[Li48Fe48Si24O144] 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 [Fdd2] _cell_length_a [6.7511] _cell_length_b [...	2.244	0.102	0.4809	0.0943
MP	YZnPd2	data_[Y2Zn2Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Zn 1.6500 1.3500 0.8800 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.9085] _cell_length_b [11.8697] _cell_length_c [16.7615] _ce...	0.012	1.89	0.0122	0.6386
MP	Ca2Zn3Si3PbO12	data_[Ca8Zn12Si12Pb4O48] 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 Si 1.9000 1.1000 0.5400 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_le...	3.722	0.0	0.6001	0.0
MP	CsCNO	data_[Cs4C4N4O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 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 [Ima2] _cell_length_a [8.0917] _cell_length_b [6.6671] _...	4.535	0.0	0.6488	0.0
MP	Li2TlPCO7	data_[Li4Tl2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tl 1.6200 1.9000 1.3325 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...	1.635	0.037	0.4116	0.0429
MP	LiFe2C2O7	data_[Li4Fe8C8O28] 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 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 [10.4453] _cell_length_b [5.9...	1.55	0.137	0.4004	0.1179
MP	Sr2Ga2S5	data_[Sr16Ga16S40] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [11.3070] _cell_length_b [12.6537] _cell_length_c [12.1473]...	2.404	0.012	0.4966	0.0176
MP	LiHfMg30O31	data_[Li1Hf1Mg30O31] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Hf 1.3000 1.5500 0.8500 Mg 1.3100 1.5000 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmm2] _cell_length_a [8.5574] _cell_length_b [8.5...	0.484	0.048	0.2007	0.0526
MP	Li7V3P8O29	data_[Li14V6P16O58] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.8079] _cell_length_b [9.8112] ...	0.005	0.026	0.0061	0.0325
MP	GaCl3	data_[Ga2Cl6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.1170] _cell_length_b [7.1743] _cell_length_c [7.2919] _cell_angle_alpha [91.9348] _cell_an...	4.203	0.001	0.6299	0.0024
MP	CuH4(ClO)2	data_[Cu2H8Cl4O4] 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 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmna] _cell_length_a [8.0612] _cell_length_b [3.8968]...	0.474	0.041	0.1979	0.0465
MP	K3Co(NO2)6	data_[K12Co4N24O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Co 1.8800 1.3500 0.7683 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3] _cell_length_a [10.6879] _cell_length_b [10.68...	2.689	0.088	0.5225	0.0842
MP	BaPb2C2(O3F)2	data_[Ba3Pb6C6O18F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [...	4.057	0.004	0.6212	0.0073
MP	BaSr2I6	data_[Ba3Sr6I18] 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 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [14.4784] _cell_length_b [14.4784] _cell_length_c [7.5309] _c...	3.831	0.027	0.6072	0.0335
MP	S4N2O3F	data_[S16N8O12F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.3412] _cell_length_b [11.7174...	1.388	0.126	0.3778	0.1107
MP	LiFeSi3O8	data_[Li2Fe2Si6O16] 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 [P-1] _cell_length_a [7.1100] _cell_length_b [7.115...	2.419	0.076	0.498	0.0752
MP	Te8IrI5	data_[Te16Ir2I10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Ir 2.2000 1.3500 0.7650 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [10.0319] _cell_length_b [10.6020] _cell_length_c [11.7764] _...	1.166	0.041	0.3435	0.0465
MP	BW4N9	data_[B2W8N18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [8.5701] _cell_length_b [8.5701] _cell_length_c [4.8536] _cell_an...	0.924	0.307	0.3007	0.2122
MP	Li3FeF6	data_[Li6Fe2F12] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [5.1340] _cell_length_b [5.1340] _cell_length_c [9.5279] _ce...	4.009	0.025	0.6183	0.0315
MP	KAl(SO4)2	data_[K1Al1S2O8] 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 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [4.9102] _cell_length_b [4.9102] _...	5.5	0.012	0.6971	0.0176
MP	Tl9SbSe6	data_[Tl18Sb2Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [8.5279] _cell_length_b [8.5279] _cell_length_c [13.4457] ...	0.814	0.0	0.2789	0.0
MP	CaTa2Bi2O9	data_[Ca2Ta4Bi4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ta 1.5000 1.4500 0.8200 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.7861] _cell_length_b [3....	0.073	0.679	0.0506	0.3599
MP	Li3Ni2SnO6	data_[Li6Ni4Sn2O12] 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 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.0666] _cell_length_b [6.703...	0.357	0.029	0.1634	0.0354
MP	Hf2MnZn	data_[Hf4Mn2Zn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.2699] _cell_length_b [10.9768] _cell_length_c [16.1444] ...	0.334	3.404	0.156	0.8344
MP	Mn(IO3)2	data_[Mn2I4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.6867] _cell_length_b [5.3302] _cell_length_c [9.7447] _cell_...	2.287	0.0	0.4852	0.0
MP	Li3Al(FeO3)2	data_[Li6Al2Fe4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.3921] _cell_length_b [5.888...	2.156	0.048	0.4719	0.0526
MP	Sr3U11O36	data_[Sr6U22O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 U 1.3800 1.7500 0.9913 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [8.4789] _cell_length_b [28.8026] _cell_length_c [6.7902] _cel...	1.715	0.0	0.4218	0.0
MP	Na2S	data_[Na8S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.5711] _cell_length_b [6.5711] _cell_length_c [6.5711] _cell_angle_alpha [90.0000] _cell_an...	2.44	0.0	0.5	0.0
MP	Na5TiP2O9F	data_[Na40Ti8P16O72F8] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a...	3.139	0.0	0.559	0.0
MP	LiGa5O8	data_[Li4Ga20O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_332] _cell_length_a [8.3225] _cell_length_b [8.3225] _cell_length_c [8.3225] _...	2.877	0.0	0.5383	0.0
MP	Na8Gd2O7	data_[Na32Gd8O28] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.2287] _cell_length_b [11.7000] _cell_length_c [10.9242]...	1.853	0.085	0.4384	0.082
MP	Cs4Zr3Te16	data_[Cs16Zr12Te64] 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 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.2172] _cell_length_b [19.7848] _cell_length_c [17.9...	1.155	0.0	0.3417	0.0
MP	Li7OsN4	data_[Li56Os8N32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Os 2.2000 1.3000 0.6730 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [9.7803] _cell_length_b [9.7803] _cell_length_c [9.7803] _ce...	0.033	0.068	0.0272	0.069
MP	Pr2Se2O	data_[Pr8Se8O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.9490] _cell_length_b [7.4107] _cell_length_c [7.4227] _ce...	2.062	0.003	0.4619	0.0058
MP	Tl2NiH12(SeO7)2	data_[Tl4Ni2H24Se4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Ni 1.9100 1.3500 0.7400 H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_lengt...	3.834	0.0	0.6074	0.0
MP	Na3MnSiBO7	data_[Na6Mn2Si2B2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length...	1.362	0.02	0.374	0.0264
MP	CsSm2Ti2NbO10	data_[Cs2Sm4Ti4Nb2O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Sm 1.1700 1.8500 1.2290 Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...	1.448	0.064	0.3864	0.0659
MP	BaZrSe3	data_[Ba1Zr1Se3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Zr 1.3300 1.5500 0.8600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.2874] _cell_length_b [5.2964] _cell_length_c [5.3095] _cell...	0.202	0.078	0.109	0.0768
MP	H13S2N3O8	data_[H52S8N12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [15.6886] _cell_length_b [5.8922]...	5.225	0.012	0.6842	0.0176
MP	Sr2SnO4	data_[Sr8Sn4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/ncm] _cell_length_a [5.8772] _cell_length_b [5.8772] _cell_length_c [12.5243]...	2.653	0.0	0.5193	0.0
MP	K3NbSe4	data_[K12Nb4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nb 1.6000 1.4500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.7707] _cell_length_b [11.3419] _cell_length_c [9.9093] _c...	1.892	0.0	0.443	0.0
MP	CsBaSiHO4	data_[Cs2Ba2Si2H2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ba 0.8900 2.1500 1.4900 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 [P2_1] _cell_length_a ...	4.147	0.044	0.6266	0.0492
MP	Li2Ga2GeS6	data_[Li16Ga16Ge8S48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [12.3329] _cell_length_b [2...	2.134	0.035	0.4696	0.0411
MP	MnHC3O4	data_[Mn8H8C24O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [P-3] _cell_length_a [9.2986] _cell_length_b [9.2986] ...	2.773	0.574	0.5297	0.3235
MP	Pr2Te(Mo3O23)2	data_[Pr2Te1Mo6O46] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.9364] _cell_length_b [9.840...	0.114	0.493	0.0711	0.293
MP	BaAu2(SO4)4	data_[Ba2Au4S8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Au 2.5400 1.3500 1.0700 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.7757] _cell_length_b [9.2381...	1.785	0.0	0.4303	0.0
MP	Li6Ge2O7	data_[Li24Ge8O28] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.1824] _cell_length_b [5.3712] _cell_length_c [16.1848] ...	4.029	0.003	0.6195	0.0058
MP	Li2ZnI4	data_[Li8Zn4I16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Zn 1.6500 1.3500 0.8800 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [15.0090] _cell_length_b [8.6838] _cell_length_c [7.0639] _ce...	3.236	0.027	0.5663	0.0335
MP	Eu3Si6N4O9	data_[Eu3Si6N4O9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 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 [P3] _cell_length_a [7.1708] _cell_length_b [7.1708] _...	0.12	0.004	0.074	0.0073
MP	Rb2PtS2	data_[Rb4Pt2S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pt 2.2800 1.3500 0.8050 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.6912] _cell_length_b [7.3791] _cell_length_c [10.0206] _cel...	1.252	0.0	0.3573	0.0
MP	Gd3CuSnSe7	data_[Gd6Cu2Sn2Se14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Cu 1.9000 1.3500 0.8200 Sn 1.9600 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.3698] _cell_length_b [1...	0.77	0.009	0.2696	0.014
MP	LaSeF	data_[La2Se2F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Se 2.5500 1.1500 1.0133 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.2358] _cell_length_b [4.2358] _cell_length_c [8.2649] _...	1.726	0.0	0.4231	0.0
MP	NdS2	data_[Nd4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.1460] _cell_length_b [4.0487] _cell_length_c [8.0672] _cell_angle_alpha [90.0000] _cell_a...	0.338	0.0	0.1573	0.0
MP	GaAgO2	data_[Ga2Ag2O4] 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 [P6_3/mmc] _cell_length_a [3.0374] _cell_length_b [3.0374] _cell_length_c [12.5721] ...	0.583	0.0	0.2266	0.0
MP	HfTlCuSe3	data_[Hf4Tl4Cu4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Tl 1.6200 1.9000 1.3325 Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.8531] _cell_length_b [14...	0.42	0.0	0.1826	0.0
MP	Cr2HgO4	data_[Cr16Hg8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Hg 2.0000 1.5000 1.2450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [8.8512] _cell_length_b [8.8512] _cell_length_c [8.8512] _c...	1.258	0.0	0.3582	0.0
MP	KGeBiS4	data_[K4Ge4Bi4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ge 2.0100 1.2500 0.7700 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.6513] _cell_length_b [6.80...	1.805	0.0	0.4327	0.0
MP	Ba2VI5O17	data_[Ba8V4I20O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 V 1.6300 1.3500 0.7775 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 [7.6859] _cell_length_b [33.69...	2.854	0.005	0.5364	0.0088
MP	Sr3C3N5	data_[Sr6C6N10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.9877] _cell_length_b [7.2952] _cell_length_c [7.7546] _cell_a...	1.829	0.39	0.4356	0.2504
MP	Mg3(BiN2)2	data_[Mg12Bi8N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Bi 2.0200 1.6000 1.0350 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.8002] _cell_length_b [10.4711] _cell_length_c [5.4581] _c...	1.412	0.294	0.3813	0.2058
MP	Li2Mn5(Si2O5)6	data_[Li4Mn10Si24O60] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-62c] _cell_length_a [10.4059] _cell_length_b [...	2.997	0.059	0.548	0.0618
MP	NaFeH4SO6F	data_[Na2Fe2H8S2O12F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Fe 1.8300 1.4000 0.8525 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_na...	2.131	0.007	0.4693	0.0115
MP	CrOF4	data_[Cr8O8F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [5.5483] _cell_length_b [16.8885] _cell_length_c [8.0631] _ce...	2.331	0.109	0.4895	0.0992
MP	NaYGeO4	data_[Na4Y4Ge4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Y 1.2200 1.8000 1.0400 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.5320] _cell_length_b [6.526...	3.647	0.0	0.5952	0.0
MP	Li3CoOF3	data_[Li12Co4O4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [9.8367] _cell_length_b [2.9861]...	2.196	0.1	0.476	0.0929
MP	CuTeO3	data_[Cu4Te4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.2905] _cell_length_b [9.3562] _cell_length_c [7.5691] _c...	0.002	0.035	0.0029	0.0411
MP	Mn3Fe5O12	data_[Mn6Fe10O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.2459] _cell_length_b [8.2638] _cell_length_c [8.3313] _cell...	0.479	0.077	0.1993	0.076
MP	Sr4Nb2O9	data_[Sr8Nb4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [5.9491] _cell_length_b [5.9491] _cell_length_c [15.9429] _cel...	3.416	0.0	0.5793	0.0
MP	Li2Cu(PO3)4	data_[Li8Cu4P16O48] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.1505] _cell_length_b [13.77...	1.028	0.015	0.3199	0.021
MP	Cd4SF6	data_[Cd8S2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 S 2.5800 1.0000 0.8800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_2/nmc] _cell_length_a [8.0052] _cell_length_b [8.0052] _cell_length_c [5.6114] _c...	2.191	0.027	0.4755	0.0335
MP	LiErSe2	data_[Li4Er4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Er 1.2400 1.7500 1.0300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [5.6495] _cell_length_b [5.6495] _cell_length_c [11.5323...	1.721	0.016	0.4225	0.0221
MP	Rb3MgH5	data_[Rb12Mg4H20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Mg 1.3100 1.5000 0.8600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [P4/ncc] _cell_length_a [8.0716] _cell_length_b [8.0716] _cell_length_c [12.3289] ...	3.341	0.008	0.574	0.0128
MP	Na2CuH4(C2O5)2	data_[Na2Cu1H4C4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cu 1.9000 1.3500 0.8200 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 [P-1] _cell_length_a [3...	0.939	0.086	0.3036	0.0827
MP	Na2TiFe(PO4)3	data_[Na8Ti4Fe4P12O48] 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 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a ...	2.273	0.005	0.4838	0.0088
MP	V(HO)2	data_[V2H4O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [4.9253] _cell_length_b [5.4103] _cell_length_c [3.3244] _cell_ang...	1.401	0.125	0.3797	0.11
MP	CdBi8(Br5O4)2	data_[Cd2Bi16Br20O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Bi 2.0200 1.6000 1.0350 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [5.5838] _cell_length_b [40...	0.728	0.044	0.2605	0.0492
MP	Li3P2WO8	data_[Li6P4W2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.4855] _cell_length_b [5.6133] ...	4.103	0.052	0.624	0.056
MP	NaLiFePO4F	data_[Na8Li8Fe8P8O32F8] 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 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_...	4.304	0.01	0.6358	0.0152
MP	NaMnP2H10NO10	data_[Na4Mn4P8H40N4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_n...	3.904	0.017	0.6118	0.0232
MP	Al2O3	data_[Al32O48] 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 [C2/c] _cell_length_a [8.0045] _cell_length_b [7.9972] _cell_length_c [12.4211] _cell_angle_alpha [90.0000] _cell_...	4.142	0.04	0.6263	0.0456
MP	SrNi2Te3(ClO4)2	data_[Sr4Ni8Te12Cl8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ni 1.9100 1.3500 0.7400 Te 2.1000 1.4000 1.2933 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_len...	3.131	0.0	0.5584	0.0
MP	Ca2NbN3	data_[Ca16Nb8N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Nb 1.6000 1.4500 0.8200 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [5.8649] _cell_length_b [11.1678] _cell_length_c [11.6896] _...	1.784	0.0	0.4302	0.0
MP	KCa(H2N)3	data_[K4Ca4H24N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ca 1.0000 1.8000 1.1400 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.6839] _cell_length_b [11.87...	2.588	0.0	0.5136	0.0
MP	Li2Cr(CO3)3	data_[Li8Cr4C12O36] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [9.5837] _cell_length_b [9.689...	0.022	0.074	0.0198	0.0737

MP

Li2FeO2F

data_[Li16Fe8O16F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [5.1294] _cell_length_b [9.056...

2.01

0.101

0.4563

0.0936

MP

C2O3F2

data_[C16O24F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [6.6858] _cell_length_b [7.2805] _cell_length_c [16.6939]...

5.308

0.165

0.6881

0.1354

MP

Rb2NaCr(CN)6

data_[Rb4Na2Cr2C12N12] 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 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_lengt...

0.332

0.186

0.1554

0.1479

MP

K3InC12(O2F3)6

data_[K3In1C12O12F18] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [1...

4.619

0.152

0.6533

0.1274

MP

HfCrAgS4

data_[Hf4Cr4Ag4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 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 [P1] _cell_length_a [6.1318] _cell_length_b [7.1151...

0.93

0.043

0.3019

0.0483

MP

C

data_[C280] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [10.1088] _cell_length_b [17.4123] _cell_length_c [18.0000] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_ang...

1.103

0.35

0.333

0.2325

MP

Co3Ag2(P2O7)2

data_[Co6Ag4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Ag 1.9300 1.6000 1.0867 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 [5.4058] _cell_length_b [6.4384]...

2.065

0.005

0.4622

0.0088

MP

K5RbZn4Sn5S17

data_[K5Rb1Zn4Sn5S17] 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 Zn 1.6500 1.3500 0.8800 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...

1.561

0.0

0.4019

0.0

MP

Na3PS4

data_[Na6P2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-42_1c] _cell_length_a [7.0193] _cell_length_b [7.0193] _cell_length_c [7.1526] _cel...

2.292

0.0

0.4857

0.0

MP

Cs2RbAsCl6

data_[Cs8Rb4As4Cl24] 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 As 2.1800 1.1500 0.6600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.2966] _cell_length_b [...

3.469

0.033

0.583

0.0392

MP

V2Zn2O7

data_[V4Zn4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.4973] _cell_length_b [8.6845] _cell_length_c [5.0794] _cell_...

2.013

0.031

0.4566

0.0374

MP

Li32Mn13Cr3O48

data_[Li32Mn13Cr3O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.9982] _cell_length_b [8.67...

1.254

0.014

0.3576

0.0199

MP

LiCaN

data_[Li4Ca4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ca 1.0000 1.8000 1.1400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.5058] _cell_length_b [3.6747] _cell_length_c [5.5526] _cell...

1.378

0.0

0.3764

0.0

MP

Sr2TaInO6

data_[Sr4Ta2In2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ta 1.5000 1.4500 0.8200 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.0240] _cell_length_b [5.8...

3.791

0.005

0.6046

0.0088

MP

KInSe2

data_[K16In16Se32] 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 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.6785] _cell_length_b [11.6724] _cell_length_c [15.9591]...

1.844

0.0

0.4374

0.0

MP

SnH12C6(NO2)2

data_[Sn8H96C48N16O32] 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 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a ...

4.244

0.125

0.6323

0.11

MP

Li2Fe2SiO6

data_[Li48Fe48Si24O144] 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 [Fdd2] _cell_length_a [6.7511] _cell_length_b [...

2.244

0.102

0.4809

0.0943

MP

YZnPd2

data_[Y2Zn2Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Zn 1.6500 1.3500 0.8800 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.9085] _cell_length_b [11.8697] _cell_length_c [16.7615] _ce...

0.012

1.89

0.0122

0.6386

MP

Ca2Zn3Si3PbO12

data_[Ca8Zn12Si12Pb4O48] 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 Si 1.9000 1.1000 0.5400 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_le...

3.722

0.0

0.6001

0.0

MP

CsCNO

data_[Cs4C4N4O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 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 [Ima2] _cell_length_a [8.0917] _cell_length_b [6.6671] _...

4.535

0.0

0.6488

0.0

MP

Li2TlPCO7

data_[Li4Tl2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tl 1.6200 1.9000 1.3325 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...

1.635

0.037

0.4116

0.0429

MP

LiFe2C2O7

data_[Li4Fe8C8O28] 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 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 [10.4453] _cell_length_b [5.9...

1.55

0.137

0.4004

0.1179

MP

Sr2Ga2S5

data_[Sr16Ga16S40] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [11.3070] _cell_length_b [12.6537] _cell_length_c [12.1473]...

2.404

0.012

0.4966

0.0176

MP

LiHfMg30O31

data_[Li1Hf1Mg30O31] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Hf 1.3000 1.5500 0.8500 Mg 1.3100 1.5000 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmm2] _cell_length_a [8.5574] _cell_length_b [8.5...

0.484

0.048

0.2007

0.0526

MP

Li7V3P8O29

data_[Li14V6P16O58] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.8079] _cell_length_b [9.8112] ...

0.005

0.026

0.0061

0.0325

MP

GaCl3

data_[Ga2Cl6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.1170] _cell_length_b [7.1743] _cell_length_c [7.2919] _cell_angle_alpha [91.9348] _cell_an...

4.203

0.001

0.6299

0.0024

MP

CuH4(ClO)2

data_[Cu2H8Cl4O4] 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 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmna] _cell_length_a [8.0612] _cell_length_b [3.8968]...

0.474

0.041

0.1979

0.0465

MP

K3Co(NO2)6

data_[K12Co4N24O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Co 1.8800 1.3500 0.7683 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3] _cell_length_a [10.6879] _cell_length_b [10.68...

2.689

0.088

0.5225

0.0842

MP

BaPb2C2(O3F)2

data_[Ba3Pb6C6O18F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [...

4.057

0.004

0.6212

0.0073

MP

BaSr2I6

data_[Ba3Sr6I18] 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 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [14.4784] _cell_length_b [14.4784] _cell_length_c [7.5309] _c...

3.831

0.027

0.6072

0.0335

MP

S4N2O3F

data_[S16N8O12F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.3412] _cell_length_b [11.7174...

1.388

0.126

0.3778

0.1107

MP

LiFeSi3O8

data_[Li2Fe2Si6O16] 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 [P-1] _cell_length_a [7.1100] _cell_length_b [7.115...

2.419

0.076

0.498

0.0752

MP

Te8IrI5

data_[Te16Ir2I10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Ir 2.2000 1.3500 0.7650 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [10.0319] _cell_length_b [10.6020] _cell_length_c [11.7764] _...

1.166

0.041

0.3435

0.0465

MP

BW4N9

data_[B2W8N18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [8.5701] _cell_length_b [8.5701] _cell_length_c [4.8536] _cell_an...

0.924

0.307

0.3007

0.2122

MP

Li3FeF6

data_[Li6Fe2F12] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [5.1340] _cell_length_b [5.1340] _cell_length_c [9.5279] _ce...

4.009

0.025

0.6183

0.0315

MP

KAl(SO4)2

data_[K1Al1S2O8] 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 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [4.9102] _cell_length_b [4.9102] _...

5.5

0.012

0.6971

0.0176

MP

Tl9SbSe6

data_[Tl18Sb2Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [8.5279] _cell_length_b [8.5279] _cell_length_c [13.4457] ...

0.814

0.0

0.2789

0.0

MP

CaTa2Bi2O9

data_[Ca2Ta4Bi4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ta 1.5000 1.4500 0.8200 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.7861] _cell_length_b [3....

0.073

0.679

0.0506

0.3599

MP

Li3Ni2SnO6

data_[Li6Ni4Sn2O12] 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 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.0666] _cell_length_b [6.703...

0.357

0.029

0.1634

0.0354

MP

Hf2MnZn

data_[Hf4Mn2Zn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Mn 1.5500 1.4000 0.6483 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.2699] _cell_length_b [10.9768] _cell_length_c [16.1444] ...

0.334

3.404

0.156

0.8344

MP

Mn(IO3)2

data_[Mn2I4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.6867] _cell_length_b [5.3302] _cell_length_c [9.7447] _cell_...

2.287

0.0

0.4852

0.0

MP

Li3Al(FeO3)2

data_[Li6Al2Fe4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.3921] _cell_length_b [5.888...

2.156

0.048

0.4719

0.0526

MP

Sr3U11O36

data_[Sr6U22O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 U 1.3800 1.7500 0.9913 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [8.4789] _cell_length_b [28.8026] _cell_length_c [6.7902] _cel...

1.715

0.0

0.4218

0.0

MP

Na2S

data_[Na8S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.5711] _cell_length_b [6.5711] _cell_length_c [6.5711] _cell_angle_alpha [90.0000] _cell_an...

2.44

0.0

0.5

0.0

MP

Na5TiP2O9F

data_[Na40Ti8P16O72F8] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a...

3.139

0.0

0.559

0.0

MP

LiGa5O8

data_[Li4Ga20O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_332] _cell_length_a [8.3225] _cell_length_b [8.3225] _cell_length_c [8.3225] _...

2.877

0.0

0.5383

0.0

MP

Na8Gd2O7

data_[Na32Gd8O28] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.2287] _cell_length_b [11.7000] _cell_length_c [10.9242]...

1.853

0.085

0.4384

0.082

MP

Cs4Zr3Te16

data_[Cs16Zr12Te64] 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 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.2172] _cell_length_b [19.7848] _cell_length_c [17.9...

1.155

0.0

0.3417

0.0

MP

Li7OsN4

data_[Li56Os8N32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Os 2.2000 1.3000 0.6730 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [9.7803] _cell_length_b [9.7803] _cell_length_c [9.7803] _ce...

0.033

0.068

0.0272

0.069

MP

Pr2Se2O

data_[Pr8Se8O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.9490] _cell_length_b [7.4107] _cell_length_c [7.4227] _ce...

2.062

0.003

0.4619

0.0058

MP

Tl2NiH12(SeO7)2

data_[Tl4Ni2H24Se4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Ni 1.9100 1.3500 0.7400 H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_lengt...

3.834

0.0

0.6074

0.0

MP

Na3MnSiBO7

data_[Na6Mn2Si2B2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length...

1.362

0.02

0.374

0.0264

MP

CsSm2Ti2NbO10

data_[Cs2Sm4Ti4Nb2O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Sm 1.1700 1.8500 1.2290 Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...

1.448

0.064

0.3864

0.0659

MP

BaZrSe3

data_[Ba1Zr1Se3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Zr 1.3300 1.5500 0.8600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.2874] _cell_length_b [5.2964] _cell_length_c [5.3095] _cell...

0.202

0.078

0.109

0.0768

MP

H13S2N3O8

data_[H52S8N12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [15.6886] _cell_length_b [5.8922]...

5.225

0.012

0.6842

0.0176

MP

Sr2SnO4

data_[Sr8Sn4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/ncm] _cell_length_a [5.8772] _cell_length_b [5.8772] _cell_length_c [12.5243]...

2.653

0.0

0.5193

0.0

MP

K3NbSe4

data_[K12Nb4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nb 1.6000 1.4500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.7707] _cell_length_b [11.3419] _cell_length_c [9.9093] _c...

1.892

0.0

0.443

0.0

MP

CsBaSiHO4

data_[Cs2Ba2Si2H2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ba 0.8900 2.1500 1.4900 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 [P2_1] _cell_length_a ...

4.147

0.044

0.6266

0.0492

MP

Li2Ga2GeS6

data_[Li16Ga16Ge8S48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [12.3329] _cell_length_b [2...

2.134

0.035

0.4696

0.0411

MP

MnHC3O4

data_[Mn8H8C24O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [P-3] _cell_length_a [9.2986] _cell_length_b [9.2986] ...

2.773

0.574

0.5297

0.3235

MP

Pr2Te(Mo3O23)2

data_[Pr2Te1Mo6O46] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.9364] _cell_length_b [9.840...

0.114

0.493

0.0711

0.293

MP

BaAu2(SO4)4

data_[Ba2Au4S8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Au 2.5400 1.3500 1.0700 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.7757] _cell_length_b [9.2381...

1.785

0.0

0.4303

0.0

MP

Li6Ge2O7

data_[Li24Ge8O28] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.1824] _cell_length_b [5.3712] _cell_length_c [16.1848] ...

4.029

0.003

0.6195

0.0058

MP

Li2ZnI4

data_[Li8Zn4I16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Zn 1.6500 1.3500 0.8800 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [15.0090] _cell_length_b [8.6838] _cell_length_c [7.0639] _ce...

3.236

0.027

0.5663

0.0335

MP

Eu3Si6N4O9

data_[Eu3Si6N4O9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 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 [P3] _cell_length_a [7.1708] _cell_length_b [7.1708] _...

0.12

0.004

0.074

0.0073

MP

Rb2PtS2

data_[Rb4Pt2S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pt 2.2800 1.3500 0.8050 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.6912] _cell_length_b [7.3791] _cell_length_c [10.0206] _cel...

1.252

0.0

0.3573

0.0

MP

Gd3CuSnSe7

data_[Gd6Cu2Sn2Se14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Cu 1.9000 1.3500 0.8200 Sn 1.9600 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.3698] _cell_length_b [1...

0.77

0.009

0.2696

0.014

MP

LaSeF

data_[La2Se2F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Se 2.5500 1.1500 1.0133 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.2358] _cell_length_b [4.2358] _cell_length_c [8.2649] _...

1.726

0.0

0.4231

0.0

MP

NdS2

data_[Nd4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.1460] _cell_length_b [4.0487] _cell_length_c [8.0672] _cell_angle_alpha [90.0000] _cell_a...

0.338

0.0

0.1573

0.0

MP

GaAgO2

data_[Ga2Ag2O4] 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 [P6_3/mmc] _cell_length_a [3.0374] _cell_length_b [3.0374] _cell_length_c [12.5721] ...

0.583

0.0

0.2266

0.0

MP

HfTlCuSe3

data_[Hf4Tl4Cu4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Tl 1.6200 1.9000 1.3325 Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.8531] _cell_length_b [14...

0.42

0.0

0.1826

0.0

MP

Cr2HgO4

data_[Cr16Hg8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Hg 2.0000 1.5000 1.2450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [8.8512] _cell_length_b [8.8512] _cell_length_c [8.8512] _c...

1.258

0.0

0.3582

0.0

MP

KGeBiS4

data_[K4Ge4Bi4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ge 2.0100 1.2500 0.7700 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.6513] _cell_length_b [6.80...

1.805

0.0

0.4327

0.0

MP

Ba2VI5O17

data_[Ba8V4I20O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 V 1.6300 1.3500 0.7775 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 [7.6859] _cell_length_b [33.69...

2.854

0.005

0.5364

0.0088

MP

Sr3C3N5

data_[Sr6C6N10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.9877] _cell_length_b [7.2952] _cell_length_c [7.7546] _cell_a...

1.829

0.39

0.4356

0.2504

MP

Mg3(BiN2)2

data_[Mg12Bi8N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Bi 2.0200 1.6000 1.0350 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.8002] _cell_length_b [10.4711] _cell_length_c [5.4581] _c...

1.412

0.294

0.3813

0.2058

MP

Li2Mn5(Si2O5)6

data_[Li4Mn10Si24O60] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-62c] _cell_length_a [10.4059] _cell_length_b [...

2.997

0.059

0.548

0.0618

MP

NaFeH4SO6F

data_[Na2Fe2H8S2O12F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Fe 1.8300 1.4000 0.8525 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_na...

2.131

0.007

0.4693

0.0115

MP

CrOF4

data_[Cr8O8F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [5.5483] _cell_length_b [16.8885] _cell_length_c [8.0631] _ce...

2.331

0.109

0.4895

0.0992

MP

NaYGeO4

data_[Na4Y4Ge4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Y 1.2200 1.8000 1.0400 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.5320] _cell_length_b [6.526...

3.647

0.0

0.5952

0.0

MP

Li3CoOF3

data_[Li12Co4O4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [9.8367] _cell_length_b [2.9861]...

2.196

0.1

0.476

0.0929

MP

CuTeO3

data_[Cu4Te4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.2905] _cell_length_b [9.3562] _cell_length_c [7.5691] _c...

0.002

0.035

0.0029

0.0411

MP

Mn3Fe5O12

data_[Mn6Fe10O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.2459] _cell_length_b [8.2638] _cell_length_c [8.3313] _cell...

0.479

0.077

0.1993

0.076

MP

Sr4Nb2O9

data_[Sr8Nb4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [5.9491] _cell_length_b [5.9491] _cell_length_c [15.9429] _cel...

3.416

0.0

0.5793

0.0

MP

Li2Cu(PO3)4

data_[Li8Cu4P16O48] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.1505] _cell_length_b [13.77...

1.028

0.015

0.3199

0.021

MP

Cd4SF6

data_[Cd8S2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 S 2.5800 1.0000 0.8800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_2/nmc] _cell_length_a [8.0052] _cell_length_b [8.0052] _cell_length_c [5.6114] _c...

2.191

0.027

0.4755

0.0335

MP

LiErSe2

data_[Li4Er4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Er 1.2400 1.7500 1.0300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [5.6495] _cell_length_b [5.6495] _cell_length_c [11.5323...

1.721

0.016

0.4225

0.0221

MP

Rb3MgH5

data_[Rb12Mg4H20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Mg 1.3100 1.5000 0.8600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [P4/ncc] _cell_length_a [8.0716] _cell_length_b [8.0716] _cell_length_c [12.3289] ...

3.341

0.008

0.574

0.0128

MP

Na2CuH4(C2O5)2

data_[Na2Cu1H4C4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cu 1.9000 1.3500 0.8200 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 [P-1] _cell_length_a [3...

0.939

0.086

0.3036

0.0827

MP

Na2TiFe(PO4)3

data_[Na8Ti4Fe4P12O48] 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 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a ...

2.273

0.005

0.4838

0.0088

MP

V(HO)2

data_[V2H4O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [4.9253] _cell_length_b [5.4103] _cell_length_c [3.3244] _cell_ang...

1.401

0.125

0.3797

0.11

MP

CdBi8(Br5O4)2

data_[Cd2Bi16Br20O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Bi 2.0200 1.6000 1.0350 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [5.5838] _cell_length_b [40...

0.728

0.044

0.2605

0.0492

MP

Li3P2WO8

data_[Li6P4W2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.4855] _cell_length_b [5.6133] ...

4.103

0.052

0.624

0.056

MP

NaLiFePO4F

data_[Na8Li8Fe8P8O32F8] 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 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_...

4.304

0.01

0.6358

0.0152

MP

NaMnP2H10NO10

data_[Na4Mn4P8H40N4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_n...

3.904

0.017

0.6118

0.0232

MP

Al2O3

data_[Al32O48] 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 [C2/c] _cell_length_a [8.0045] _cell_length_b [7.9972] _cell_length_c [12.4211] _cell_angle_alpha [90.0000] _cell_...

4.142

0.04

0.6263

0.0456

MP

SrNi2Te3(ClO4)2

data_[Sr4Ni8Te12Cl8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ni 1.9100 1.3500 0.7400 Te 2.1000 1.4000 1.2933 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_len...

3.131

0.0

0.5584

0.0

MP

Ca2NbN3

data_[Ca16Nb8N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Nb 1.6000 1.4500 0.8200 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [5.8649] _cell_length_b [11.1678] _cell_length_c [11.6896] _...

1.784

0.0

0.4302

0.0

MP

KCa(H2N)3

data_[K4Ca4H24N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ca 1.0000 1.8000 1.1400 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.6839] _cell_length_b [11.87...

2.588

0.0

0.5136

0.0

MP

Li2Cr(CO3)3

data_[Li8Cr4C12O36] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [9.5837] _cell_length_b [9.689...

0.022

0.074

0.0198

0.0737