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	NaV2O5	data_[Na16V32O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.2907] _cell_length_b [19.9904] _cell_length_c [12.0756] _c...	1.562	0.024	0.402	0.0305
MP	Al3Bi5I12	data_[Al12Bi20I48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Bi 2.0200 1.6000 1.0350 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [22.4799] _cell_length_b [19.1088] _cell_length_c [8.3586] ...	1.315	0.023	0.367	0.0295
MP	LaGd3(ClO)4	data_[La2Gd6Cl8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Gd 1.2000 1.8000 1.0750 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [3.9860] _cell_length_b [7.970...	3.055	0.005	0.5525	0.0088
MP	CeSe2	data_[Ce36Se72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.6282] _cell_length_b [23.9202] _cell_length_c [32.3862] _cell_angle_alpha [90.0000] _c...	0.996	0.547	0.3141	0.3136
MP	BaCaI4	data_[Ba4Ca4I16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ca 1.0000 1.8000 1.1400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [6.0832] _cell_length_b [22.0915] _cell_length_c [8.3008] _...	3.69	0.078	0.598	0.0768
MP	CuS4(N2Cl)2	data_[Cu4S16N16Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [19.3986] _cell_length_b [6.73...	0.249	0.311	0.1268	0.2141
MP	Li5MnO3F	data_[Li20Mn4O12F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.5102] _cell_length_b [7.034...	2.343	0.099	0.4907	0.0922
MP	LaNdN2	data_[La3Nd3N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Nd 1.1400 1.8500 1.2765 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.7070] _cell_length_b [3.7070] _cell_length_c [18.1792] _cel...	0.054	0.004	0.04	0.0073
MP	MgH30C2(SO9)2	data_[Mg3H90C6S6O54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [9....	5.172	0.067	0.6816	0.0682
MP	GaCuS2	data_[Ga4Cu4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [5.3697] _cell_length_b [5.3697] _cell_length_c [10.6315] _ce...	0.706	0.0	0.2556	0.0
MP	P2Pb4O9	data_[P8Pb16O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.6732] _cell_length_b [7.3200] _cell_length_c [14.8332] _c...	3.299	0.0	0.5709	0.0
MP	Mn(NO3)4	data_[Mn4N16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [7.6832] _cell_length_b [11.8756] _cell_length_c [12.7982] _cel...	0.142	0.0	0.0839	0.0
MP	LiCo3P4O15	data_[Li4Co12P16O60] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.3509] _cell_length_b [10.481...	0.7	0.079	0.2543	0.0775
MP	VFe3(PO4)4	data_[V1Fe3P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [4.8808] _cell_length_b [5.8768] _c...	1.477	0.038	0.3905	0.0438
MP	K3Na(SO4)2	data_[K3Na1S2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.7654] _cell_length_b [5.7654] ...	5.3	0.0	0.6878	0.0
MP	LiCo5(P2O7)4	data_[Li2Co10P16O56] 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 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 [9.1849] _cell_length_b [10.49...	0.027	0.085	0.0232	0.082
MP	Li8(FeO2)5	data_[Li8Fe5O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.4489] _cell_length_b [6.7511] _cell_length_c [8.0259] _cell_...	0.131	0.1	0.079	0.0929
MP	Sr4HfO6	data_[Sr24Hf6O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Hf 1.3000 1.5500 0.8500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [10.0208] _cell_length_b [10.0208] _cell_length_c [12.2090] ...	3.846	0.065	0.6081	0.0667
MP	Li4V3SiO10	data_[Li4V3Si1O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1303] _cell_length_b [6.0490] ...	1.473	0.076	0.3899	0.0752
MP	NaLi2B(PO4)2	data_[Na2Li4B2P4O16] 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 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 [P-1] _cell_length_a [5...	5.833	0.0	0.7119	0.0
MP	Li2NiO2F	data_[Li16Ni8O16F8] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [8.1701] _cell_length_b [5.8377]...	0.712	0.089	0.257	0.0849
MP	Li4Cr5WO12	data_[Li8Cr10W2O24] 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/m] _cell_length_a [5.2106] _cell_length_b [9.154...	1.44	0.075	0.3853	0.0745
MP	WSe2	data_[W1Se2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ W 2.3600 1.3500 0.7667 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.3256] _cell_length_b [3.3256] _cell_length_c [17.5271] _cell_angle_alpha [90.0000] _cell_a...	1.538	0.016	0.3988	0.0221
MP	Zn3B7IO13	data_[Zn24B56I8O104] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 B 2.0400 0.8500 0.4100 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [F-43c] _cell_length_a [12.2337] _cell_length_b [12....	4.188	0.027	0.6291	0.0335
MP	La6S3(OF4)2	data_[La12S6O4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 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 [Pm] _cell_length_a [13.8020] _cell_length_b [3.9711] ...	2.603	0.0	0.5149	0.0
MP	BaY4Cl14	data_[Ba4Y16Cl56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Y 1.2200 1.8000 1.0400 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [7.4670] _cell_length_b [9.3714] _cell_length_c [43.69...	4.144	0.09	0.6265	0.0857
MP	Na2NiO2	data_[Na4Ni2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.3754] _cell_length_b [4.3754] _cell_length_c [10.3372] _c...	2.606	0.041	0.5152	0.0465
MP	ErCoH8C6(N3O2)2	data_[Er4Co4H32C24N24O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Co 1.8800 1.3500 0.7683 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...	4.795	0.23	0.6627	0.1727
MP	Li4V2F9	data_[Li8V4F18] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-3c1] _cell_length_a [5.1718] _cell_length_b [5.1718] _cell_length_c [13.9374] _cel...	0.971	0.037	0.3096	0.0429
MP	CaMg30SiO32	data_[Ca1Mg30Si1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5898] _cell_length_b [8...	1.876	0.089	0.4411	0.0849
MP	Gd7Ti8O26	data_[Gd7Ti8O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.2167] _cell_length_b [7.3394] _cell_length_c [10.2952] _cell...	0.312	0.061	0.1488	0.0635
MP	Ta9VO25	data_[Ta18V2O50] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [15.9162] _cell_length_b [15.9162] _cell_length_c [3.8615] _cel...	2.577	0.0	0.5126	0.0
MP	TiO2	data_[Ti4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [4.9019] _cell_length_b [4.9019] _cell_length_c [4.9019] _cell_angle_alpha [90.0000] _cell_ang...	1.15	0.257	0.3409	0.1871
MP	RbMg30GaO32	data_[Rb1Mg30Ga1O32] 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 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6397] _cell_length_b [8...	3.79	0.071	0.6045	0.0714
MP	CsMoP2O7	data_[Cs4Mo4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Mo 2.1600 1.4500 0.7750 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 [7.8783] _cell_length_b [10.6...	3.822	0.0	0.6066	0.0
MP	Mg3(AsO4)2	data_[Mg12As8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [6.1207] _cell_length_b [11.4395] _cell_length_c [8.3062] _c...	2.642	0.036	0.5184	0.042
MP	Te4Mo3Se2	data_[Te4Mo3Se2] 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 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.4787] _cell_length_b [3.4787] _cell_length_c [31.9872] _...	0.187	0.025	0.103	0.0315
MP	Li2SnP2O7	data_[Li8Sn4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.9563] _cell_length_b [9.7351] ...	3.292	0.063	0.5704	0.0651
MP	LaNiO3	data_[La2Ni2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.4236] _cell_length_b [5.4236] _cell_length_c [5.4339] _cell_...	0.356	0.02	0.1631	0.0264
MP	KCrH18N6(ClO2)4	data_[K3Cr3H54N18Cl12O24] 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 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group...	3.819	0.435	0.6064	0.2696
MP	Gd2Si2O7	data_[Gd8Si8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 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 [6.7244] _cell_length_b [6.7746] _cell_length_c [12.2791] _cel...	2.797	0.011	0.5317	0.0164
MP	Na3CoSiCO7	data_[Na6Co2Si2C2O14] 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 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length...	1.063	0.056	0.3261	0.0594
MP	BaV3O8	data_[Ba2V6O16] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.6084] _cell_length_b [5.6383] _cell_length_c [8.3857] _cel...	1.909	0.016	0.4449	0.0221
MP	NaLiZnS2	data_[Na1Li1Zn1S2] 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 Zn 1.6500 1.3500 0.8800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.9821] _cell_length_b [3.982...	1.83	0.0	0.4357	0.0
MP	Li6Br3N	data_[Li12Br6N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Br 2.9600 1.1500 0.8825 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.2719] _cell_length_b [6.3839] _cell_length_c [10.9831] _...	2.175	0.021	0.4738	0.0275
MP	U2CuAs2(H4O5)4	data_[U4Cu2As4H32O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 Cu 1.9000 1.3500 0.8200 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/n] _cell_length_a ...	1.127	0.0	0.3371	0.0
MP	Nd2Au5F21	data_[Nd8Au20F84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Au 2.5400 1.3500 1.0700 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_12_12] _cell_length_a [8.4492] _cell_length_b [8.4492] _cell_length_c [26.3617...	1.65	0.0	0.4135	0.0
MP	CsHS	data_[Cs8H8S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [8.4297] _cell_length_b [8.4297] _cell_length_c [9.2760] _cell_a...	3.401	0.0	0.5783	0.0
MP	KNaSe	data_[K4Na4Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.1414] _cell_length_b [4.8542] _cell_length_c [8.7792] _cell...	2.018	0.0	0.4571	0.0
MP	Y2CoIr	data_[Y4Co2Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Co 1.8800 1.3500 0.7683 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.6578] _cell_length_b [11.9476] _cell_length_c [16.8455] _ce...	0.214	2.899	0.1137	0.7791
MP	Ag6SbAsS6	data_[Ag18Sb3As3S18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Sb 2.0500 1.4500 0.8300 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [10.9753] _cell_length_b [10.9...	1.442	0.005	0.3856	0.0088
MP	Li10Si2PbO10	data_[Li40Si8Pb4O40] 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 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [30.0675] _cell_length_b [6....	2.985	0.004	0.547	0.0073
MP	Li3MnCo3O8	data_[Li6Mn2Co6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.8066] _cell_length_b [5.845...	0.015	0.115	0.0146	0.1033
MP	In6TeO12	data_[In18Te3O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [9.6045] _cell_length_b [9.6045] _cell_length_c [9.1497] _cel...	1.01	0.01	0.3167	0.0152
MP	Ho2V2O7	data_[Ho4V4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.6622] _cell_length_b [9.4996] _cell_length_c [5.2430] _cell_...	0.507	0.078	0.2069	0.0768
MP	LiV2(OF)3	data_[Li1V2O3F3] 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 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1036] _cell_length_b [5.1444] _ce...	1.045	0.112	0.3229	0.1012
MP	Cr3O8	data_[Cr6O16] 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 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [6.6102] _cell_length_b [8.2437] _cell_length_c [5.4921] _cell_angle_alpha [90.0000] _cell_an...	0.331	0.054	0.1551	0.0577
MP	MgSiO3	data_[Mg8Si8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [4.9388] _cell_length_b [9.6717] _cell_length_c [8.8456] _cel...	1.026	0.442	0.3196	0.2725
MP	BaLa2Cl8	data_[Ba2La4Cl16] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.8345] _cell_length_b [12.9252] _cell_length_c [5.5198] _...	3.684	0.036	0.5976	0.042
MP	NaHg2Au	data_[Na2Hg4Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Hg 2.0000 1.5000 1.2450 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.4244] _cell_length_b [12.1214] _cell_length_c [17.0914] ...	1.327	0.551	0.3688	0.3151
MP	BaLi(BS2)3	data_[Ba4Li4B12S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Li 0.9800 1.4500 0.9000 B 2.0400 0.8500 0.4100 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [15.3056] _cell_length_b [8.9276...	2.86	0.0	0.5369	0.0
MP	BP	data_[B2P2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2003] _cell_length_b [3.2003] _cell_length_c [5.2981] _cell_angle_alpha [90.0000] _cell_ang...	1.062	0.014	0.3259	0.0199
MP	Mg30BWO32	data_[Mg30B1W1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 B 2.0400 0.8500 0.4100 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5557] _cell_length_b [8.555...	1.886	0.154	0.4423	0.1286
MP	GaCuI4	data_[Ga2Cu2I8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [6.5076] _cell_length_b [6.5076] _cell_length_c [11.4575] _cell...	1.44	0.0	0.3853	0.0
MP	HfCrCuS4	data_[Hf2Cr2Cu2S8] 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 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [13.1214] _cell_length_b [3.5758...	0.2	0.077	0.1082	0.076
MP	CaZnAu2	data_[Ca2Zn2Au4] 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 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.8394] _cell_length_b [12.2477] _cell_length_c [17.2983] ...	1.026	1.135	0.3196	0.4881
MP	BaP2(HO)2	data_[Ba8P16H16O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ccce] _cell_length_a [7.0816] _cell_length_b [19.370...	0.963	0.268	0.3081	0.1928
MP	KPWCO7	data_[K2P2W2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 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 [5.34...	2.864	0.012	0.5373	0.0176
MP	Fe3Co2P6WO24	data_[Fe9Co6P18W3O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 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 [R3] _cell_length_a [8...	0.008	0.076	0.0088	0.0752
MP	SiC	data_[Si18C18] 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 [3.0940] _cell_length_b [3.0940] _cell_length_c [45.5545] _cell_angle_alpha [90.0000] _cell_...	1.998	0.0	0.4549	0.0
MP	Rb2TeBr6	data_[Rb8Te4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Te 2.1000 1.4000 1.2933 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.0957] _cell_length_b [11.0957] _cell_length_c [11.0957...	2.051	0.001	0.4607	0.0024
MP	Li6Co3Sb(PO4)6	data_[Li6Co3Sb1P6O24] 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 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 [P1] _cell_length_a [...	0.017	0.087	0.0161	0.0835
MP	H18RuC6(SCl)3	data_[H72Ru4C24S12Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Ru 2.2000 1.3000 0.6610 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_lengt...	0.339	0.057	0.1576	0.0602
MP	Sr5Al11TlSi13O48	data_[Sr5Al11Tl1Si13O48] 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 Tl 1.6200 1.9000 1.3325 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length...	2.957	0.143	0.5448	0.1217
MP	KYTe2	data_[K3Y3Te6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Y 1.2200 1.8000 1.0400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.5025] _cell_length_b [4.5025] _cell_length_c [24.7548] _cell_...	1.298	0.0	0.3644	0.0
MP	AlH21C3(SO5)3	data_[Al4H84C12S12O60] 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 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_...	5.338	0.12	0.6896	0.1067
MP	Li2Cr3CuO8	data_[Li16Cr24Cu8O64] 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 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [11.8031] _cell_length_b [11....	0.552	0.059	0.2187	0.0618
MP	Fe7(PO5)4	data_[Fe14P8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P2_1/c] _cell_length_a [7.3692] _cell_length_b [15.2137] _cell_length_c [7.4073] _c...	0.024	0.063	0.0212	0.0651
MP	Dy2CoPtO6	data_[Dy4Co2Pt2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Co 1.8800 1.3500 0.7683 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.3355] _cell_length_b [5....	1.768	0.032	0.4283	0.0383
MP	Li2MnFe(BO3)2	data_[Li8Mn4Fe4B8O24] 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 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 [P1] _cell_length_a [...	3.05	0.005	0.5522	0.0088
MP	K3CrC3N3O4	data_[K12Cr4C12N12O16] 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 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a ...	2.098	0.773	0.4658	0.3898
MP	AgH2C2N3O	data_[Ag8H16C16N24O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 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 [Pbca] _cell_length_a [...	3.295	0.152	0.5706	0.1274
MP	Mg2TiO4	data_[Mg8Ti4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_122] _cell_length_a [6.0517] _cell_length_b [6.0517] _cell_length_c [8.4876] _c...	3.404	0.0	0.5785	0.0
MP	Tb2Ge2O7	data_[Tb8Ge8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_12_12] _cell_length_a [6.8993] _cell_length_b [6.8993] _cell_length_c [12.5723]...	3.758	0.0	0.6025	0.0
MP	Ag2TeS3	data_[Ag8Te4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Te 2.1000 1.4000 1.2933 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [6.9200] _cell_length_b [11.6609] _cell_length_c [8.0067] _cell...	1.3	0.0	0.3647	0.0
MP	LaCrO3	data_[La1Cr1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.9272] _cell_length_b [3.9272] _cell_length_c [3.9272] _cel...	1.904	0.091	0.4443	0.0864
MP	Na3TbV2O8	data_[Na3Tb1V2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Tb 1.1000 1.7500 0.9815 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 [5.9209] _cell_length_b [5.9209...	3.446	0.063	0.5814	0.0651
MP	K3Cr11S18	data_[K6Cr22S36] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [21.4725] _cell_length_b [3.5201] _cell_length_c [16.4718] _ce...	0.222	0.007	0.1167	0.0115
MP	Sr7PtN6	data_[Sr28Pt4N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Pt 2.2800 1.3500 0.8050 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [6.7429] _cell_length_b [12.5552] _cell_length_c [13.0930] _...	0.066	0.181	0.0468	0.145
MP	LiVFe(P2O7)2	data_[Li3V3Fe3P12O42] 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 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 [7...	1.616	0.008	0.4092	0.0128
MP	Li2Cr3NiO8	data_[Li6Cr9Ni3O24] 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 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.8666] _cell_length_b [5.86...	0.372	0.045	0.1681	0.0501
MP	Si2Ag2O5	data_[Si8Ag8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [6.6718] _cell_length_b [5.0278] _cell_length_c [15.8735] _ce...	1.216	0.062	0.3516	0.0643
MP	RbMn4(AsO4)3	data_[Rb4Mn16As12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [10.3364] _cell_length_b [1...	1.723	0.0	0.4227	0.0
MP	Li2Fe2Si4O11	data_[Li4Fe4Si8O22] 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 [7.0474] _cell_length_b [7.581...	3.465	0.014	0.5828	0.0199
MP	Li2SbPCO7	data_[Li4Sb2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sb 2.0500 1.4500 0.8300 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a...	4.042	0.03	0.6203	0.0364
MP	KGaGeO4	data_[K24Ga24Ge24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [18.9034] _cell_length_b [18...	3.197	0.0	0.5634	0.0
MP	Y(HO)3	data_[Y2H6O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.3333] _cell_length_b [3.5147] _cell_length_c [6.4401] _cell_a...	3.947	0.023	0.6145	0.0295
MP	Cs4Sb2O5	data_[Cs8Sb4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.8738] _cell_length_b [7.0589] _cell_length_c [8.3032] _cell...	2.575	0.0	0.5124	0.0
MP	Mg2Fe7O12	data_[Mg8Fe28O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.5609] _cell_length_b [8.5273] _cell_length_c [13.5078] _c...	1.064	0.093	0.3263	0.0879
MP	Na2PtO3	data_[Na8Pt4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [5.7472] _cell_length_b [9.5074] _cell_length_c [5.4691] _cel...	0.631	0.144	0.2383	0.1224

MP

NaV2O5

data_[Na16V32O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.2907] _cell_length_b [19.9904] _cell_length_c [12.0756] _c...

1.562

0.024

0.402

0.0305

MP

Al3Bi5I12

data_[Al12Bi20I48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Bi 2.0200 1.6000 1.0350 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [22.4799] _cell_length_b [19.1088] _cell_length_c [8.3586] ...

1.315

0.023

0.367

0.0295

MP

LaGd3(ClO)4

data_[La2Gd6Cl8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Gd 1.2000 1.8000 1.0750 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [3.9860] _cell_length_b [7.970...

3.055

0.005

0.5525

0.0088

MP

CeSe2

data_[Ce36Se72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.6282] _cell_length_b [23.9202] _cell_length_c [32.3862] _cell_angle_alpha [90.0000] _c...

0.996

0.547

0.3141

0.3136

MP

BaCaI4

data_[Ba4Ca4I16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ca 1.0000 1.8000 1.1400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [6.0832] _cell_length_b [22.0915] _cell_length_c [8.3008] _...

3.69

0.078

0.598

0.0768

MP

CuS4(N2Cl)2

data_[Cu4S16N16Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [19.3986] _cell_length_b [6.73...

0.249

0.311

0.1268

0.2141

MP

Li5MnO3F

data_[Li20Mn4O12F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.5102] _cell_length_b [7.034...

2.343

0.099

0.4907

0.0922

MP

LaNdN2

data_[La3Nd3N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Nd 1.1400 1.8500 1.2765 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.7070] _cell_length_b [3.7070] _cell_length_c [18.1792] _cel...

0.054

0.004

0.04

0.0073

MP

MgH30C2(SO9)2

data_[Mg3H90C6S6O54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [9....

5.172

0.067

0.6816

0.0682

MP

GaCuS2

data_[Ga4Cu4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [5.3697] _cell_length_b [5.3697] _cell_length_c [10.6315] _ce...

0.706

0.0

0.2556

0.0

MP

P2Pb4O9

data_[P8Pb16O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.6732] _cell_length_b [7.3200] _cell_length_c [14.8332] _c...

3.299

0.0

0.5709

0.0

MP

Mn(NO3)4

data_[Mn4N16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [7.6832] _cell_length_b [11.8756] _cell_length_c [12.7982] _cel...

0.142

0.0

0.0839

0.0

MP

LiCo3P4O15

data_[Li4Co12P16O60] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.3509] _cell_length_b [10.481...

0.7

0.079

0.2543

0.0775

MP

VFe3(PO4)4

data_[V1Fe3P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [4.8808] _cell_length_b [5.8768] _c...

1.477

0.038

0.3905

0.0438

MP

K3Na(SO4)2

data_[K3Na1S2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.7654] _cell_length_b [5.7654] ...

5.3

0.0

0.6878

0.0

MP

LiCo5(P2O7)4

data_[Li2Co10P16O56] 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 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 [9.1849] _cell_length_b [10.49...

0.027

0.085

0.0232

0.082

MP

Li8(FeO2)5

data_[Li8Fe5O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.4489] _cell_length_b [6.7511] _cell_length_c [8.0259] _cell_...

0.131

0.1

0.079

0.0929

MP

Sr4HfO6

data_[Sr24Hf6O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Hf 1.3000 1.5500 0.8500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [10.0208] _cell_length_b [10.0208] _cell_length_c [12.2090] ...

3.846

0.065

0.6081

0.0667

MP

Li4V3SiO10

data_[Li4V3Si1O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1303] _cell_length_b [6.0490] ...

1.473

0.076

0.3899

0.0752

MP

NaLi2B(PO4)2

data_[Na2Li4B2P4O16] 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 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 [P-1] _cell_length_a [5...

5.833

0.0

0.7119

0.0

MP

Li2NiO2F

data_[Li16Ni8O16F8] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [8.1701] _cell_length_b [5.8377]...

0.712

0.089

0.257

0.0849

MP

Li4Cr5WO12

data_[Li8Cr10W2O24] 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/m] _cell_length_a [5.2106] _cell_length_b [9.154...

1.44

0.075

0.3853

0.0745

MP

WSe2

data_[W1Se2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ W 2.3600 1.3500 0.7667 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.3256] _cell_length_b [3.3256] _cell_length_c [17.5271] _cell_angle_alpha [90.0000] _cell_a...

1.538

0.016

0.3988

0.0221

MP

Zn3B7IO13

data_[Zn24B56I8O104] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 B 2.0400 0.8500 0.4100 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [F-43c] _cell_length_a [12.2337] _cell_length_b [12....

4.188

0.027

0.6291

0.0335

MP

La6S3(OF4)2

data_[La12S6O4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 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 [Pm] _cell_length_a [13.8020] _cell_length_b [3.9711] ...

2.603

0.0

0.5149

0.0

MP

BaY4Cl14

data_[Ba4Y16Cl56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Y 1.2200 1.8000 1.0400 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [7.4670] _cell_length_b [9.3714] _cell_length_c [43.69...

4.144

0.09

0.6265

0.0857

MP

Na2NiO2

data_[Na4Ni2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.3754] _cell_length_b [4.3754] _cell_length_c [10.3372] _c...

2.606

0.041

0.5152

0.0465

MP

ErCoH8C6(N3O2)2

data_[Er4Co4H32C24N24O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Co 1.8800 1.3500 0.7683 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...

4.795

0.23

0.6627

0.1727

MP

Li4V2F9

data_[Li8V4F18] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-3c1] _cell_length_a [5.1718] _cell_length_b [5.1718] _cell_length_c [13.9374] _cel...

0.971

0.037

0.3096

0.0429

MP

CaMg30SiO32

data_[Ca1Mg30Si1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5898] _cell_length_b [8...

1.876

0.089

0.4411

0.0849

MP

Gd7Ti8O26

data_[Gd7Ti8O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.2167] _cell_length_b [7.3394] _cell_length_c [10.2952] _cell...

0.312

0.061

0.1488

0.0635

MP

Ta9VO25

data_[Ta18V2O50] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [15.9162] _cell_length_b [15.9162] _cell_length_c [3.8615] _cel...

2.577

0.0

0.5126

0.0

MP

TiO2

data_[Ti4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [4.9019] _cell_length_b [4.9019] _cell_length_c [4.9019] _cell_angle_alpha [90.0000] _cell_ang...

1.15

0.257

0.3409

0.1871

MP

RbMg30GaO32

data_[Rb1Mg30Ga1O32] 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 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6397] _cell_length_b [8...

3.79

0.071

0.6045

0.0714

MP

CsMoP2O7

data_[Cs4Mo4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Mo 2.1600 1.4500 0.7750 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 [7.8783] _cell_length_b [10.6...

3.822

0.0

0.6066

0.0

MP

Mg3(AsO4)2

data_[Mg12As8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [6.1207] _cell_length_b [11.4395] _cell_length_c [8.3062] _c...

2.642

0.036

0.5184

0.042

MP

Te4Mo3Se2

data_[Te4Mo3Se2] 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 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.4787] _cell_length_b [3.4787] _cell_length_c [31.9872] _...

0.187

0.025

0.103

0.0315

MP

Li2SnP2O7

data_[Li8Sn4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.9563] _cell_length_b [9.7351] ...

3.292

0.063

0.5704

0.0651

MP

LaNiO3

data_[La2Ni2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.4236] _cell_length_b [5.4236] _cell_length_c [5.4339] _cell_...

0.356

0.02

0.1631

0.0264

MP

KCrH18N6(ClO2)4

data_[K3Cr3H54N18Cl12O24] 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 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group...

3.819

0.435

0.6064

0.2696

MP

Gd2Si2O7

data_[Gd8Si8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 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 [6.7244] _cell_length_b [6.7746] _cell_length_c [12.2791] _cel...

2.797

0.011

0.5317

0.0164

MP

Na3CoSiCO7

data_[Na6Co2Si2C2O14] 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 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length...

1.063

0.056

0.3261

0.0594

MP

BaV3O8

data_[Ba2V6O16] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.6084] _cell_length_b [5.6383] _cell_length_c [8.3857] _cel...

1.909

0.016

0.4449

0.0221

MP

NaLiZnS2

data_[Na1Li1Zn1S2] 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 Zn 1.6500 1.3500 0.8800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.9821] _cell_length_b [3.982...

1.83

0.0

0.4357

0.0

MP

Li6Br3N

data_[Li12Br6N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Br 2.9600 1.1500 0.8825 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.2719] _cell_length_b [6.3839] _cell_length_c [10.9831] _...

2.175

0.021

0.4738

0.0275

MP

U2CuAs2(H4O5)4

data_[U4Cu2As4H32O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 Cu 1.9000 1.3500 0.8200 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/n] _cell_length_a ...

1.127

0.0

0.3371

0.0

MP

Nd2Au5F21

data_[Nd8Au20F84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Au 2.5400 1.3500 1.0700 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_12_12] _cell_length_a [8.4492] _cell_length_b [8.4492] _cell_length_c [26.3617...

1.65

0.0

0.4135

0.0

MP

CsHS

data_[Cs8H8S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [8.4297] _cell_length_b [8.4297] _cell_length_c [9.2760] _cell_a...

3.401

0.0

0.5783

0.0

MP

KNaSe

data_[K4Na4Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.1414] _cell_length_b [4.8542] _cell_length_c [8.7792] _cell...

2.018

0.0

0.4571

0.0

MP

Y2CoIr

data_[Y4Co2Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Co 1.8800 1.3500 0.7683 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.6578] _cell_length_b [11.9476] _cell_length_c [16.8455] _ce...

0.214

2.899

0.1137

0.7791

MP

Ag6SbAsS6

data_[Ag18Sb3As3S18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Sb 2.0500 1.4500 0.8300 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [10.9753] _cell_length_b [10.9...

1.442

0.005

0.3856

0.0088

MP

Li10Si2PbO10

data_[Li40Si8Pb4O40] 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 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [30.0675] _cell_length_b [6....

2.985

0.004

0.547

0.0073

MP

Li3MnCo3O8

data_[Li6Mn2Co6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.8066] _cell_length_b [5.845...

0.015

0.115

0.0146

0.1033

MP

In6TeO12

data_[In18Te3O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [9.6045] _cell_length_b [9.6045] _cell_length_c [9.1497] _cel...

1.01

0.01

0.3167

0.0152

MP

Ho2V2O7

data_[Ho4V4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.6622] _cell_length_b [9.4996] _cell_length_c [5.2430] _cell_...

0.507

0.078

0.2069

0.0768

MP

LiV2(OF)3

data_[Li1V2O3F3] 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 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1036] _cell_length_b [5.1444] _ce...

1.045

0.112

0.3229

0.1012

MP

Cr3O8

data_[Cr6O16] 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 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [6.6102] _cell_length_b [8.2437] _cell_length_c [5.4921] _cell_angle_alpha [90.0000] _cell_an...

0.331

0.054

0.1551

0.0577

MP

MgSiO3

data_[Mg8Si8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [4.9388] _cell_length_b [9.6717] _cell_length_c [8.8456] _cel...

1.026

0.442

0.3196

0.2725

MP

BaLa2Cl8

data_[Ba2La4Cl16] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.8345] _cell_length_b [12.9252] _cell_length_c [5.5198] _...

3.684

0.036

0.5976

0.042

MP

NaHg2Au

data_[Na2Hg4Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Hg 2.0000 1.5000 1.2450 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.4244] _cell_length_b [12.1214] _cell_length_c [17.0914] ...

1.327

0.551

0.3688

0.3151

MP

BaLi(BS2)3

data_[Ba4Li4B12S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Li 0.9800 1.4500 0.9000 B 2.0400 0.8500 0.4100 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [15.3056] _cell_length_b [8.9276...

2.86

0.0

0.5369

0.0

MP

BP

data_[B2P2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2003] _cell_length_b [3.2003] _cell_length_c [5.2981] _cell_angle_alpha [90.0000] _cell_ang...

1.062

0.014

0.3259

0.0199

MP

Mg30BWO32

data_[Mg30B1W1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 B 2.0400 0.8500 0.4100 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5557] _cell_length_b [8.555...

1.886

0.154

0.4423

0.1286

MP

GaCuI4

data_[Ga2Cu2I8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [6.5076] _cell_length_b [6.5076] _cell_length_c [11.4575] _cell...

1.44

0.0

0.3853

0.0

MP

HfCrCuS4

data_[Hf2Cr2Cu2S8] 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 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [13.1214] _cell_length_b [3.5758...

0.2

0.077

0.1082

0.076

MP

CaZnAu2

data_[Ca2Zn2Au4] 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 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.8394] _cell_length_b [12.2477] _cell_length_c [17.2983] ...

1.026

1.135

0.3196

0.4881

MP

BaP2(HO)2

data_[Ba8P16H16O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ccce] _cell_length_a [7.0816] _cell_length_b [19.370...

0.963

0.268

0.3081

0.1928

MP

KPWCO7

data_[K2P2W2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 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 [5.34...

2.864

0.012

0.5373

0.0176

MP

Fe3Co2P6WO24

data_[Fe9Co6P18W3O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 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 [R3] _cell_length_a [8...

0.008

0.076

0.0088

0.0752

MP

SiC

data_[Si18C18] 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 [3.0940] _cell_length_b [3.0940] _cell_length_c [45.5545] _cell_angle_alpha [90.0000] _cell_...

1.998

0.0

0.4549

0.0

MP

Rb2TeBr6

data_[Rb8Te4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Te 2.1000 1.4000 1.2933 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.0957] _cell_length_b [11.0957] _cell_length_c [11.0957...

2.051

0.001

0.4607

0.0024

MP

Li6Co3Sb(PO4)6

data_[Li6Co3Sb1P6O24] 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 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 [P1] _cell_length_a [...

0.017

0.087

0.0161

0.0835

MP

H18RuC6(SCl)3

data_[H72Ru4C24S12Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Ru 2.2000 1.3000 0.6610 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_lengt...

0.339

0.057

0.1576

0.0602

MP

Sr5Al11TlSi13O48

data_[Sr5Al11Tl1Si13O48] 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 Tl 1.6200 1.9000 1.3325 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length...

2.957

0.143

0.5448

0.1217

MP

KYTe2

data_[K3Y3Te6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Y 1.2200 1.8000 1.0400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.5025] _cell_length_b [4.5025] _cell_length_c [24.7548] _cell_...

1.298

0.0

0.3644

0.0

MP

AlH21C3(SO5)3

data_[Al4H84C12S12O60] 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 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_...

5.338

0.12

0.6896

0.1067

MP

Li2Cr3CuO8

data_[Li16Cr24Cu8O64] 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 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [11.8031] _cell_length_b [11....

0.552

0.059

0.2187

0.0618

MP

Fe7(PO5)4

data_[Fe14P8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P2_1/c] _cell_length_a [7.3692] _cell_length_b [15.2137] _cell_length_c [7.4073] _c...

0.024

0.063

0.0212

0.0651

MP

Dy2CoPtO6

data_[Dy4Co2Pt2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Co 1.8800 1.3500 0.7683 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.3355] _cell_length_b [5....

1.768

0.032

0.4283

0.0383

MP

Li2MnFe(BO3)2

data_[Li8Mn4Fe4B8O24] 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 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 [P1] _cell_length_a [...

3.05

0.005

0.5522

0.0088

MP

K3CrC3N3O4

data_[K12Cr4C12N12O16] 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 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a ...

2.098

0.773

0.4658

0.3898

MP

AgH2C2N3O

data_[Ag8H16C16N24O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 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 [Pbca] _cell_length_a [...

3.295

0.152

0.5706

0.1274

MP

Mg2TiO4

data_[Mg8Ti4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_122] _cell_length_a [6.0517] _cell_length_b [6.0517] _cell_length_c [8.4876] _c...

3.404

0.0

0.5785

0.0

MP

Tb2Ge2O7

data_[Tb8Ge8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_12_12] _cell_length_a [6.8993] _cell_length_b [6.8993] _cell_length_c [12.5723]...

3.758

0.0

0.6025

0.0

MP

Ag2TeS3

data_[Ag8Te4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Te 2.1000 1.4000 1.2933 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [6.9200] _cell_length_b [11.6609] _cell_length_c [8.0067] _cell...

1.3

0.0

0.3647

0.0

MP

LaCrO3

data_[La1Cr1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.9272] _cell_length_b [3.9272] _cell_length_c [3.9272] _cel...

1.904

0.091

0.4443

0.0864

MP

Na3TbV2O8

data_[Na3Tb1V2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Tb 1.1000 1.7500 0.9815 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 [5.9209] _cell_length_b [5.9209...

3.446

0.063

0.5814

0.0651

MP

K3Cr11S18

data_[K6Cr22S36] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [21.4725] _cell_length_b [3.5201] _cell_length_c [16.4718] _ce...

0.222

0.007

0.1167

0.0115

MP

Sr7PtN6

data_[Sr28Pt4N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Pt 2.2800 1.3500 0.8050 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [6.7429] _cell_length_b [12.5552] _cell_length_c [13.0930] _...

0.066

0.181

0.0468

0.145

MP

LiVFe(P2O7)2

data_[Li3V3Fe3P12O42] 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 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 [7...

1.616

0.008

0.4092

0.0128

MP

Li2Cr3NiO8

data_[Li6Cr9Ni3O24] 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 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.8666] _cell_length_b [5.86...

0.372

0.045

0.1681

0.0501

MP

Si2Ag2O5

data_[Si8Ag8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [6.6718] _cell_length_b [5.0278] _cell_length_c [15.8735] _ce...

1.216

0.062

0.3516

0.0643

MP

RbMn4(AsO4)3

data_[Rb4Mn16As12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [10.3364] _cell_length_b [1...

1.723

0.0

0.4227

0.0

MP

Li2Fe2Si4O11

data_[Li4Fe4Si8O22] 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 [7.0474] _cell_length_b [7.581...

3.465

0.014

0.5828

0.0199

MP

Li2SbPCO7

data_[Li4Sb2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sb 2.0500 1.4500 0.8300 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a...

4.042

0.03

0.6203

0.0364

MP

KGaGeO4

data_[K24Ga24Ge24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [18.9034] _cell_length_b [18...

3.197

0.0

0.5634

0.0

MP

Y(HO)3

data_[Y2H6O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.3333] _cell_length_b [3.5147] _cell_length_c [6.4401] _cell_a...

3.947

0.023

0.6145

0.0295

MP

Cs4Sb2O5

data_[Cs8Sb4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.8738] _cell_length_b [7.0589] _cell_length_c [8.3032] _cell...

2.575

0.0

0.5124

0.0

MP

Mg2Fe7O12

data_[Mg8Fe28O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.5609] _cell_length_b [8.5273] _cell_length_c [13.5078] _c...

1.064

0.093

0.3263

0.0879

MP

Na2PtO3

data_[Na8Pt4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [5.7472] _cell_length_b [9.5074] _cell_length_c [5.4691] _cel...

0.631

0.144

0.2383

0.1224