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	Li2Ni4OF8	data_[Li8Ni16O4F32] 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 [8.9558] _cell_length_b [5.1159]...	3.35	0.079	0.5746	0.0775
MP	P2H10S4N2O	data_[P8H40S16N8O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 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 [Pbam] _cell_length_a [8.1...	2.605	0.015	0.5151	0.021
MP	LiVF6	data_[Li2V2F12] 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 [P4_2nm] _cell_length_a [4.8481] _cell_length_b [4.8481] _cell_length_c [8.8442] _cel...	3.117	0.027	0.5573	0.0335
MP	CeBO3	data_[Ce4B4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.8264] _cell_length_b [5.1121] _cell_length_c [8.2308] _cell_...	0.059	0.0	0.0429	0.0
MP	SrC4S4N2(O2F3)4	data_[Sr2C8S8N4O16F24] 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 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_nam...	6.269	0.251	0.7302	0.1839
MP	CoC4(NCl2)2	data_[Co4C16N8Cl16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.6149] _cell_length_b [12....	0.111	0.698	0.0697	0.3661
MP	NaGaGeO4	data_[Na12Ga12Ge12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ga 1.8100 1.3000 0.7600 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 [9.0181] _cell_length_b ...	3.122	0.0	0.5577	0.0
MP	Ba2VFeO6	data_[Ba8V4Fe4O24] 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 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.7300] _cell_length_b [5....	0.684	0.125	0.2506	0.11
MP	Cs2KCoF6	data_[Cs8K4Co4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 Co 1.8800 1.3500 0.7683 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.0374] _cell_length_b [9.037...	3.014	0.0	0.5493	0.0
MP	V3Zn7H3SO19	data_[V6Zn14H6S2O38] 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 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a ...	2.702	0.008	0.5236	0.0128
MP	LiCuO2	data_[Li4Cu4O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.2820] _cell_length_b [10.1842] _cell_length_c [5.2964] _cel...	0.094	0.045	0.0614	0.0501
MP	Fe2SiS4	data_[Fe8Si4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.1665] _cell_length_b [7.0269] _cell_length_c [5.8082] _ce...	0.299	0.25	0.1444	0.1834
MP	Ho2SeO2	data_[Ho2Se1O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.8263] _cell_length_b [3.8263] _cell_length_c [6.8078] _cel...	2.152	0.0	0.4715	0.0
MP	Sb2S2O	data_[Sb8S8O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.0606] _cell_length_b [8.2378] _cell_length_c [11.0738] _cell_a...	1.237	0.001	0.355	0.0024
MP	AgNO3	data_[Ag3N3O9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.1819] _cell_length_b [5.1819] _cell_length_c [8.6362] _cell_an...	1.72	0.031	0.4224	0.0374
MP	CuPO4	data_[Cu4P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [4.7629] _cell_length_b [8.6220] _cell_length_c [7.8180] _cel...	0.328	0.0	0.1541	0.0
MP	NdAlO3	data_[Nd6Al6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [5.3813] _cell_length_b [5.3813] _cell_length_c [13.0054] _ce...	4.354	0.0	0.6387	0.0
MP	LiV2OF5	data_[Li3V6O3F15] 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 [P3] _cell_length_a [8.7384] _cell_length_b [8.7384] _c...	1.752	0.063	0.4263	0.0651
MP	Ho2B4O9	data_[Ho4B8O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.1856] _cell_length_b [6.4457] _cell_length_c [7.4869] _cell_a...	5.662	0.031	0.7044	0.0374
MP	YGa3(BO3)4	data_[Y3Ga9B12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ga 1.8100 1.3000 0.7600 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R32] _cell_length_a [9.5612] _cell_length_b [9.5612] ...	4.72	0.003	0.6587	0.0058
MP	Ba3Nb2O8	data_[Ba9Nb6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.1708] _cell_length_b [6.1708] _cell_length_c [21.5787] _ce...	4.5	0.0	0.6469	0.0
MP	Ba3Y2F12	data_[Ba12Y8F48] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.7677] _cell_length_b [10.4232] _cell_length_c [15.0773] ...	6.531	0.08	0.7406	0.0783
MP	K2TeI6	data_[K4Te2I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Te 2.1000 1.4000 1.2933 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.2095] _cell_length_b [8.5023] _cell_length_c [14.2736] _ce...	1.745	0.0	0.4255	0.0
MP	CuH8C6(N3O)2	data_[Cu2H16C12N12O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [...	0.721	0.346	0.259	0.2306
MP	NaCa3AlFe3(SiO3)8	data_[Na1Ca3Al1Fe3Si8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_gr...	3.349	0.02	0.5745	0.0264
MP	CaCuAsO5	data_[Ca4Cu4As4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Cu 1.9000 1.3500 0.8200 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [5.6934] _cell_length_b...	0.343	0.069	0.1589	0.0698
MP	LiCaAs	data_[Li4Ca4As4] 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 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.6817] _cell_length_b [6.6817] _cell_length_c [6.6817] _c...	1.877	0.088	0.4412	0.0842
MP	Li4Ni2(PO4)3	data_[Li16Ni8P12O48] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [12.2355] _cell_length_b [8.8...	0.005	0.06	0.0061	0.0626
MP	CdCSBr2N3O	data_[Cd4C4S4Br8N12O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 Br 2.9600 1.1500 0.8825 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_na...	0.385	0.705	0.1721	0.3684
MP	ErAsSe	data_[Er4As4Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 As 2.1800 1.1500 0.6600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [17.4472] _cell_length_b [3.8940] _cell_length_c [3.9136] _c...	0.487	0.0	0.2015	0.0
MP	SiO2	data_[Si12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [10.0911] _cell_length_b [10.0911] _cell_length_c [10.2963] _cell_angle_alpha [90.0000] ...	5.711	0.059	0.7066	0.0618
MP	Ba4Br6O	data_[Ba16Br24O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [6.3005] _cell_length_b [12.6849] _cell_length_c [22.2...	3.661	0.099	0.5961	0.0922
MP	Nd9Al5Se21	data_[Nd54Al30Se126] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Al 1.6100 1.2500 0.6750 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [18.0199] _cell_length_b [18.0199] _cell_length_c [19.4121...	1.775	0.0	0.4291	0.0
MP	Na5SnSb3	data_[Na40Sn8Sb24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sn 1.9600 1.4500 0.8300 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [18.7136] _cell_length_b [9.2901] _cell_length_c [12.575...	0.631	0.0	0.2383	0.0
MP	Li7Mn4(PO4)6	data_[Li7Mn4P6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.4127] _cell_length_b [8.4620] ...	0.18	0.028	0.1001	0.0345
MP	CdH4CN2Cl2O	data_[Cd2H8C2N4Cl4O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_nam...	3.575	0.001	0.5903	0.0024
MP	BaTiFe3(BiO4)3	data_[Ba3Ti3Fe9Bi9O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ti 1.5400 1.4000 0.8517 Fe 1.8300 1.4000 0.8525 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a...	2.064	0.036	0.4621	0.042
MP	WBr6	data_[W3Br18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ W 2.3600 1.3500 0.7667 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [6.9733] _cell_length_b [6.9733] _cell_length_c [18.7880] _cell_angle_alpha [90.0000] _cell_an...	1.07	0.0	0.3273	0.0
MP	Hf2N2O	data_[Hf8N8O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.8152] _cell_length_b [5.4897] _cell_length_c [7.9310] _cell_a...	2.043	0.097	0.4599	0.0907
MP	K3Fe6F19	data_[K24Fe48F152] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [7.8822] _cell_length_b [18.5945] _cell_length_c [22.6633] _...	0.002	0.02	0.0029	0.0264
MP	MgH16C4S4N2(O4F3)4	data_[Mg2H32C8S8N4O32F24] 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 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7...	0.362	0.608	0.165	0.3357
MP	La7Sb11Br4	data_[La28Sb44Br16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Sb 2.0500 1.4500 0.8300 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [31.2589] _cell_length_b [4.3495] _cell_length_c [19.8797...	0.014	0.0	0.0138	0.0
MP	Li2Cr3(P2O7)2	data_[Li4Cr6P8O28] 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 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 [5.4409] _cell_length_b [6.4702]...	2.798	0.035	0.5318	0.0411
MP	MgAlCrS4	data_[Mg4Al4Cr4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.2089] _cell_length_b [7.25...	1.382	0.014	0.3769	0.0199
MP	SrLiTi3Cr2O11	data_[Sr4Li4Ti12Cr8O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_lengt...	0.206	0.035	0.1105	0.0411
MP	Li22(Cu3Si2)7	data_[Li66Cu63Si42] 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 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P3_1] _cell_length_a [14.0282] _cell_length_b [14.0282] _cell_length_c [13.572...	0.051	0.0	0.0383	0.0
MP	Li4Nb3Fe5O16	data_[Li8Nb6Fe10O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.6177] _cell_length_b [6.10...	1.143	0.077	0.3397	0.076
MP	Th3As4	data_[Th12As16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Th 1.3000 1.8000 1.0800 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [I-43d] _cell_length_a [8.9009] _cell_length_b [8.9009] _cell_length_c [8.9009] _cell_angle_alpha [90.0000] _cel...	0.271	0.0	0.1347	0.0
MP	V3P4O15	data_[V12P16O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [17.7782] _cell_length_b [12.4007] _cell_length_c [5.3322] _cel...	1.962	0.014	0.4509	0.0199
MP	LiUF5	data_[Li16U16F80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 U 1.3800 1.7500 0.9913 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [14.9789] _cell_length_b [14.9789] _cell_length_c [6.6246] ...	0.148	0.0	0.0866	0.0
MP	LiGd(MoO4)2	data_[Li2Gd2Mo4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Gd 1.2000 1.8000 1.0750 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.0826] _cell_length_b [5.94...	2.978	0.036	0.5465	0.042
MP	K6MnSe4	data_[K12Mn2Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mn 1.5500 1.4000 0.6483 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [10.3123] _cell_length_b [10.3123] _cell_length_c [8.0591] ...	1.232	0.0	0.3542	0.0
MP	Sr2Fe2O5	data_[Sr8Fe8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ima2] _cell_length_a [15.7303] _cell_length_b [5.7783] _cell_length_c [5.6017] _ce...	0.378	0.001	0.1699	0.0024
MP	In2Sb2H16C4S7N2	data_[In8Sb8H64C16S28N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Sb 2.0500 1.4500 0.8300 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_...	2.606	0.031	0.5152	0.0374
MP	MnP2O7	data_[Mn4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [7.9852] _cell_length_b [7.9852] _cell_length_c [7.9852] _cell_...	1.298	0.057	0.3644	0.0602
MP	NbTlWO6	data_[Nb4Tl4W4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.4021] _cell_length_b [7.4717...	2.932	0.0	0.5428	0.0
MP	Tl2CoI4	data_[Tl4Co2I8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Co 1.8800 1.3500 0.7683 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.7695] _cell_length_b [8.1050] _cell_length_c [9.7400] _ce...	0.754	0.0	0.2662	0.0
MP	Cs3Li2I5	data_[Cs12Li8I20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Li 0.9800 1.4500 0.9000 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [31.1239] _cell_length_b [5.0583] _cell_length_c [12.1285] _...	3.744	0.017	0.6016	0.0232
MP	K6Ba2CaU6O24	data_[K24Ba8Ca4U24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ba 0.8900 2.1500 1.4900 Ca 1.0000 1.8000 1.1400 U 1.3800 1.7500 0.9913 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmme] _cell_length_a...	1.928	0.023	0.4471	0.0295
MP	CaZr(PO4)2	data_[Ca4Zr4P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Zr 1.3300 1.5500 0.8600 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.3130] _cell_length_b [6.8079...	4.392	0.0	0.6408	0.0
MP	KPPdS4	data_[K4P4Pd4S16] 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 Pd 2.2000 1.4000 0.8462 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [8.7613] _cell_length_b [8.76...	1.477	0.0	0.3905	0.0
MP	La20S29O	data_[La80S116O4] 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 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [15.5473] _cell_length_b [15.5473] _cell_length_c [20.5809] ...	1.901	0.006	0.444	0.0101
MP	Sr3(CoO3)2	data_[Sr18Co12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [9.6009] _cell_length_b [9.6009] _cell_length_c [10.7068] _...	1.306	0.0	0.3656	0.0
MP	Sb4Br2O5	data_[Sb8Br4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.7349] _cell_length_b [5.2473] _cell_length_c [13.8158] _...	2.376	0.0	0.4939	0.0
MP	La(C2N3)3	data_[La4C24N36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [7.9608] _cell_length_b [11.9865] _cell_length_c [10.6584] _ce...	3.53	0.0	0.5873	0.0
MP	Hg3(SeF)2	data_[Hg12Se8F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 Se 2.5500 1.1500 1.0133 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I2_13] _cell_length_a [8.6280] _cell_length_b [8.6280] _cell_length_c [8.6280] _ce...	1.975	0.0	0.4524	0.0
MP	Ba5Al3F19	data_[Ba20Al12F76] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Al 1.6100 1.2500 0.6750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [14.8325] _cell_length_b [14.8325] _cell_length_c [7.5684] ...	6.9	0.006	0.7546	0.0101
MP	Mg5(AlSe4)2	data_[Mg20Al8Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Al 1.6100 1.2500 0.6750 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.7606] _cell_length_b [9.8603] _cell_length_c [17.0738] _c...	1.123	0.297	0.3364	0.2073
MP	KNaSmNbO5	data_[K2Na2Sm2Nb2O10] 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 Sm 1.1700 1.8500 1.2290 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length...	3.494	0.0	0.5848	0.0
MP	V2P2PbO10	data_[V8P8Pb4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 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 [5.2834] _cell_length_b [8.7872...	2.08	0.005	0.4639	0.0088
MP	Mg30NbFeO32	data_[Mg30Nb1Fe1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Nb 1.6000 1.4500 0.8200 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5565] _cell_length_b [8...	0.318	0.072	0.1508	0.0722
MP	P2Pb3O8	data_[P12Pb18O48] 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 [P-3] _cell_length_a [9.9749] _cell_length_b [9.9749] _cell_length_c [14.6598] _cel...	3.21	0.009	0.5644	0.014
MP	CaPbI4	data_[Ca4Pb4I16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Pb 2.3300 1.8000 1.1225 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.0403] _cell_length_b [14.6037] _cell_length_c [9.4547] _...	2.79	0.05	0.5311	0.0544
MP	TmSbPd	data_[Tm4Sb4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Sb 2.0500 1.4500 0.8300 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.6927] _cell_length_b [6.6927] _cell_length_c [6.6927] _c...	0.356	0.272	0.1631	0.1948
MP	RbHO	data_[Rb2H2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [4.2677] _cell_length_b [4.2206] _cell_length_c [5.9916] _cell_a...	3.344	0.0	0.5742	0.0
MP	K4Sr2SnAs4	data_[K24Sr12Sn6As24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sr 0.9500 2.0000 1.3200 Sn 1.9600 1.4500 0.8300 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P6_3cm] _cell_length_a [18.2985] _cell_length_b ...	0.538	0.0	0.2151	0.0
MP	FeTe3BrO7	data_[Fe4Te12Br4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Te 2.1000 1.4000 1.2933 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.2724] _cell_length_b [...	1.091	0.0	0.3309	0.0
MP	Li3Pr2(BO3)3	data_[Li12Pr8B12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Pr 1.1300 1.8500 1.0600 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.8856] _cell_length_b [14...	4.756	0.0	0.6606	0.0
MP	MnInF3	data_[Mn3In3F9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 In 1.7800 1.5500 0.9400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [6.0921] _cell_length_b [6.0921] _cell_length_c [7.4537] _cell_...	0.001	0.032	0.0017	0.0383
MP	Cs3FeMo4O15	data_[Cs12Fe4Mo16O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Fe 1.8300 1.4000 0.8525 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.7703] _cell_length_b ...	2.363	0.084	0.4926	0.0813
MP	NaAsO3	data_[Na6As6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.4572] _cell_length_b [7.6152] _cell_length_c [8.2612] _cell...	2.863	0.0	0.5372	0.0
MP	AlBiO3	data_[Al1Bi1O3] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.7872] _cell_length_b [3.7872] _cell_length_c [3.7872] _cel...	1.586	0.122	0.4052	0.108
MP	La2Ga4O9	data_[La4Ga8O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [7.8030] _cell_length_b [8.7739] _cell_length_c [5.9729] _cel...	2.971	0.088	0.5459	0.0842
MP	K4Pb9	data_[K16Pb36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [9.8255] _cell_length_b [13.4687] _cell_length_c [16.2005] _cell_angle_alpha [90.0000] _ce...	0.369	0.007	0.1672	0.0115
MP	LiAuS	data_[Li16Au16S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Au 2.5400 1.3500 1.0700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [9.0473] _cell_length_b [9.1307] _cell_length_c [11.3602] _...	1.58	0.0	0.4044	0.0
MP	K9FeS7	data_[K36Fe4S28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Fe 1.8300 1.4000 0.8525 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.8013] _cell_length_b [7.9575] _cell_length_c [23.9645] _...	0.084	0.101	0.0563	0.0936
MP	Gd3SbO7	data_[Gd12Sb4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C222_1] _cell_length_a [7.5810] _cell_length_b [10.7110] _cell_length_c [7.6045] ...	2.541	0.0	0.5093	0.0
MP	Na9V14O35	data_[Na18V28O70] 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 [P2/c] _cell_length_a [15.3636] _cell_length_b [5.2218] _cell_length_c [21.0516] _c...	0.493	0.013	0.2031	0.0188
MP	Nb2CoO6	data_[Nb4Co2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [4.8294] _cell_length_b [4.8294] _cell_length_c [9.2114] ...	1.959	0.022	0.4506	0.0285
MP	BCl3	data_[B2Cl6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [6.4778] _cell_length_b [6.4778] _cell_length_c [7.6559] _cell_angle_alpha [90.0000] _cell_a...	4.713	0.0	0.6584	0.0
MP	GdWClO4	data_[Gd4W4Cl4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 W 2.3600 1.3500 0.7667 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.4560] _cell_length_b [7.449...	2.547	0.01	0.5099	0.0152
MP	HoTa7O19	data_[Ho2Ta14O38] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-6c2] _cell_length_a [6.2636] _cell_length_b [6.2636] _cell_length_c [20.0930] _...	3.16	0.018	0.5606	0.0243
MP	Ba3Fe2(Ge2O7)2	data_[Ba6Fe4Ge8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Fe 1.8300 1.4000 0.8525 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [15.0412] _cell_length_b [8.620...	0.397	0.006	0.1757	0.0101
MP	BiP4HO12	data_[Bi2P8H2O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 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 [P-1] _cell_length_a [7.2481] _cell_length_b [8.7766] _...	4.989	0.0	0.6726	0.0
MP	Li4Mn(PO4)2	data_[Li4Mn1P2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.0335] _cell_length_b [5.2451] ...	4.27	0.055	0.6339	0.0585
MP	Li2Fe3(P2O7)2	data_[Li4Fe6P8O28] 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 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 [5.2936] _cell_length_b [6.6091]...	3.763	0.027	0.6028	0.0335
MP	Ba2AsBr	data_[Ba4As2Br2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 As 2.1800 1.1500 0.6600 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.3102] _cell_length_b [12.7458] _cell_length_c [17.9861] ...	0.724	1.157	0.2596	0.4934
MP	Li2CrCo3O8	data_[Li24Cr12Co36O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R32] _cell_length_a [11.5549] _cell_length_b [1...	0.561	0.014	0.221	0.0199
MP	Na4UCr3O14	data_[Na8U2Cr6O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 U 1.3800 1.7500 0.9913 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.3349] _cell_length_b [8.6444]...	2.033	0.0	0.4588	0.0
MP	MgSi(HO2)2	data_[Mg1Si1H2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [4.3351] _cell_length_b [2.8596] _...	5.154	0.152	0.6807	0.1274

MP

Li2Ni4OF8

data_[Li8Ni16O4F32] 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 [8.9558] _cell_length_b [5.1159]...

3.35

0.079

0.5746

0.0775

MP

P2H10S4N2O

data_[P8H40S16N8O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 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 [Pbam] _cell_length_a [8.1...

2.605

0.015

0.5151

0.021

MP

LiVF6

data_[Li2V2F12] 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 [P4_2nm] _cell_length_a [4.8481] _cell_length_b [4.8481] _cell_length_c [8.8442] _cel...

3.117

0.027

0.5573

0.0335

MP

CeBO3

data_[Ce4B4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.8264] _cell_length_b [5.1121] _cell_length_c [8.2308] _cell_...

0.059

0.0

0.0429

0.0

MP

SrC4S4N2(O2F3)4

data_[Sr2C8S8N4O16F24] 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 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_nam...

6.269

0.251

0.7302

0.1839

MP

CoC4(NCl2)2

data_[Co4C16N8Cl16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.6149] _cell_length_b [12....

0.111

0.698

0.0697

0.3661

MP

NaGaGeO4

data_[Na12Ga12Ge12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ga 1.8100 1.3000 0.7600 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 [9.0181] _cell_length_b ...

3.122

0.0

0.5577

0.0

MP

Ba2VFeO6

data_[Ba8V4Fe4O24] 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 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.7300] _cell_length_b [5....

0.684

0.125

0.2506

0.11

MP

Cs2KCoF6

data_[Cs8K4Co4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 Co 1.8800 1.3500 0.7683 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.0374] _cell_length_b [9.037...

3.014

0.0

0.5493

0.0

MP

V3Zn7H3SO19

data_[V6Zn14H6S2O38] 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 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a ...

2.702

0.008

0.5236

0.0128

MP

LiCuO2

data_[Li4Cu4O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.2820] _cell_length_b [10.1842] _cell_length_c [5.2964] _cel...

0.094

0.045

0.0614

0.0501

MP

Fe2SiS4

data_[Fe8Si4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.1665] _cell_length_b [7.0269] _cell_length_c [5.8082] _ce...

0.299

0.25

0.1444

0.1834

MP

Ho2SeO2

data_[Ho2Se1O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.8263] _cell_length_b [3.8263] _cell_length_c [6.8078] _cel...

2.152

0.0

0.4715

0.0

MP

Sb2S2O

data_[Sb8S8O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.0606] _cell_length_b [8.2378] _cell_length_c [11.0738] _cell_a...

1.237

0.001

0.355

0.0024

MP

AgNO3

data_[Ag3N3O9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.1819] _cell_length_b [5.1819] _cell_length_c [8.6362] _cell_an...

1.72

0.031

0.4224

0.0374

MP

CuPO4

data_[Cu4P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [4.7629] _cell_length_b [8.6220] _cell_length_c [7.8180] _cel...

0.328

0.0

0.1541

0.0

MP

NdAlO3

data_[Nd6Al6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [5.3813] _cell_length_b [5.3813] _cell_length_c [13.0054] _ce...

4.354

0.0

0.6387

0.0

MP

LiV2OF5

data_[Li3V6O3F15] 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 [P3] _cell_length_a [8.7384] _cell_length_b [8.7384] _c...

1.752

0.063

0.4263

0.0651

MP

Ho2B4O9

data_[Ho4B8O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.1856] _cell_length_b [6.4457] _cell_length_c [7.4869] _cell_a...

5.662

0.031

0.7044

0.0374

MP

YGa3(BO3)4

data_[Y3Ga9B12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ga 1.8100 1.3000 0.7600 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R32] _cell_length_a [9.5612] _cell_length_b [9.5612] ...

4.72

0.003

0.6587

0.0058

MP

Ba3Nb2O8

data_[Ba9Nb6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [6.1708] _cell_length_b [6.1708] _cell_length_c [21.5787] _ce...

4.5

0.0

0.6469

0.0

MP

Ba3Y2F12

data_[Ba12Y8F48] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.7677] _cell_length_b [10.4232] _cell_length_c [15.0773] ...

6.531

0.08

0.7406

0.0783

MP

K2TeI6

data_[K4Te2I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Te 2.1000 1.4000 1.2933 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.2095] _cell_length_b [8.5023] _cell_length_c [14.2736] _ce...

1.745

0.0

0.4255

0.0

MP

CuH8C6(N3O)2

data_[Cu2H16C12N12O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [...

0.721

0.346

0.259

0.2306

MP

NaCa3AlFe3(SiO3)8

data_[Na1Ca3Al1Fe3Si8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_gr...

3.349

0.02

0.5745

0.0264

MP

CaCuAsO5

data_[Ca4Cu4As4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Cu 1.9000 1.3500 0.8200 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [5.6934] _cell_length_b...

0.343

0.069

0.1589

0.0698

MP

LiCaAs

data_[Li4Ca4As4] 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 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.6817] _cell_length_b [6.6817] _cell_length_c [6.6817] _c...

1.877

0.088

0.4412

0.0842

MP

Li4Ni2(PO4)3

data_[Li16Ni8P12O48] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [12.2355] _cell_length_b [8.8...

0.005

0.06

0.0061

0.0626

MP

CdCSBr2N3O

data_[Cd4C4S4Br8N12O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 Br 2.9600 1.1500 0.8825 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_na...

0.385

0.705

0.1721

0.3684

MP

ErAsSe

data_[Er4As4Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 As 2.1800 1.1500 0.6600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [17.4472] _cell_length_b [3.8940] _cell_length_c [3.9136] _c...

0.487

0.0

0.2015

0.0

MP

SiO2

data_[Si12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [10.0911] _cell_length_b [10.0911] _cell_length_c [10.2963] _cell_angle_alpha [90.0000] ...

5.711

0.059

0.7066

0.0618

MP

Ba4Br6O

data_[Ba16Br24O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [6.3005] _cell_length_b [12.6849] _cell_length_c [22.2...

3.661

0.099

0.5961

0.0922

MP

Nd9Al5Se21

data_[Nd54Al30Se126] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Al 1.6100 1.2500 0.6750 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [18.0199] _cell_length_b [18.0199] _cell_length_c [19.4121...

1.775

0.0

0.4291

0.0

MP

Na5SnSb3

data_[Na40Sn8Sb24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sn 1.9600 1.4500 0.8300 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [18.7136] _cell_length_b [9.2901] _cell_length_c [12.575...

0.631

0.0

0.2383

0.0

MP

Li7Mn4(PO4)6

data_[Li7Mn4P6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.4127] _cell_length_b [8.4620] ...

0.18

0.028

0.1001

0.0345

MP

CdH4CN2Cl2O

data_[Cd2H8C2N4Cl4O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_nam...

3.575

0.001

0.5903

0.0024

MP

BaTiFe3(BiO4)3

data_[Ba3Ti3Fe9Bi9O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ti 1.5400 1.4000 0.8517 Fe 1.8300 1.4000 0.8525 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a...

2.064

0.036

0.4621

0.042

MP

WBr6

data_[W3Br18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ W 2.3600 1.3500 0.7667 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [6.9733] _cell_length_b [6.9733] _cell_length_c [18.7880] _cell_angle_alpha [90.0000] _cell_an...

1.07

0.0

0.3273

0.0

MP

Hf2N2O

data_[Hf8N8O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.8152] _cell_length_b [5.4897] _cell_length_c [7.9310] _cell_a...

2.043

0.097

0.4599

0.0907

MP

K3Fe6F19

data_[K24Fe48F152] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [7.8822] _cell_length_b [18.5945] _cell_length_c [22.6633] _...

0.002

0.02

0.0029

0.0264

MP

MgH16C4S4N2(O4F3)4

data_[Mg2H32C8S8N4O32F24] 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 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7...

0.362

0.608

0.165

0.3357

MP

La7Sb11Br4

data_[La28Sb44Br16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Sb 2.0500 1.4500 0.8300 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [31.2589] _cell_length_b [4.3495] _cell_length_c [19.8797...

0.014

0.0

0.0138

0.0

MP

Li2Cr3(P2O7)2

data_[Li4Cr6P8O28] 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 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 [5.4409] _cell_length_b [6.4702]...

2.798

0.035

0.5318

0.0411

MP

MgAlCrS4

data_[Mg4Al4Cr4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Al 1.6100 1.2500 0.6750 Cr 1.6600 1.4000 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.2089] _cell_length_b [7.25...

1.382

0.014

0.3769

0.0199

MP

SrLiTi3Cr2O11

data_[Sr4Li4Ti12Cr8O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_lengt...

0.206

0.035

0.1105

0.0411

MP

Li22(Cu3Si2)7

data_[Li66Cu63Si42] 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 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P3_1] _cell_length_a [14.0282] _cell_length_b [14.0282] _cell_length_c [13.572...

0.051

0.0

0.0383

0.0

MP

Li4Nb3Fe5O16

data_[Li8Nb6Fe10O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.6177] _cell_length_b [6.10...

1.143

0.077

0.3397

0.076

MP

Th3As4

data_[Th12As16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Th 1.3000 1.8000 1.0800 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [I-43d] _cell_length_a [8.9009] _cell_length_b [8.9009] _cell_length_c [8.9009] _cell_angle_alpha [90.0000] _cel...

0.271

0.0

0.1347

0.0

MP

V3P4O15

data_[V12P16O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [17.7782] _cell_length_b [12.4007] _cell_length_c [5.3322] _cel...

1.962

0.014

0.4509

0.0199

MP

LiUF5

data_[Li16U16F80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 U 1.3800 1.7500 0.9913 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [14.9789] _cell_length_b [14.9789] _cell_length_c [6.6246] ...

0.148

0.0

0.0866

0.0

MP

LiGd(MoO4)2

data_[Li2Gd2Mo4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Gd 1.2000 1.8000 1.0750 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.0826] _cell_length_b [5.94...

2.978

0.036

0.5465

0.042

MP

K6MnSe4

data_[K12Mn2Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mn 1.5500 1.4000 0.6483 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [10.3123] _cell_length_b [10.3123] _cell_length_c [8.0591] ...

1.232

0.0

0.3542

0.0

MP

Sr2Fe2O5

data_[Sr8Fe8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ima2] _cell_length_a [15.7303] _cell_length_b [5.7783] _cell_length_c [5.6017] _ce...

0.378

0.001

0.1699

0.0024

MP

In2Sb2H16C4S7N2

data_[In8Sb8H64C16S28N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Sb 2.0500 1.4500 0.8300 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_...

2.606

0.031

0.5152

0.0374

MP

MnP2O7

data_[Mn4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [7.9852] _cell_length_b [7.9852] _cell_length_c [7.9852] _cell_...

1.298

0.057

0.3644

0.0602

MP

NbTlWO6

data_[Nb4Tl4W4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.4021] _cell_length_b [7.4717...

2.932

0.0

0.5428

0.0

MP

Tl2CoI4

data_[Tl4Co2I8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Co 1.8800 1.3500 0.7683 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.7695] _cell_length_b [8.1050] _cell_length_c [9.7400] _ce...

0.754

0.0

0.2662

0.0

MP

Cs3Li2I5

data_[Cs12Li8I20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Li 0.9800 1.4500 0.9000 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [31.1239] _cell_length_b [5.0583] _cell_length_c [12.1285] _...

3.744

0.017

0.6016

0.0232

MP

K6Ba2CaU6O24

data_[K24Ba8Ca4U24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ba 0.8900 2.1500 1.4900 Ca 1.0000 1.8000 1.1400 U 1.3800 1.7500 0.9913 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmme] _cell_length_a...

1.928

0.023

0.4471

0.0295

MP

CaZr(PO4)2

data_[Ca4Zr4P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Zr 1.3300 1.5500 0.8600 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.3130] _cell_length_b [6.8079...

4.392

0.0

0.6408

0.0

MP

KPPdS4

data_[K4P4Pd4S16] 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 Pd 2.2000 1.4000 0.8462 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [8.7613] _cell_length_b [8.76...

1.477

0.0

0.3905

0.0

MP

La20S29O

data_[La80S116O4] 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 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [15.5473] _cell_length_b [15.5473] _cell_length_c [20.5809] ...

1.901

0.006

0.444

0.0101

MP

Sr3(CoO3)2

data_[Sr18Co12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [9.6009] _cell_length_b [9.6009] _cell_length_c [10.7068] _...

1.306

0.0

0.3656

0.0

MP

Sb4Br2O5

data_[Sb8Br4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.7349] _cell_length_b [5.2473] _cell_length_c [13.8158] _...

2.376

0.0

0.4939

0.0

MP

La(C2N3)3

data_[La4C24N36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [7.9608] _cell_length_b [11.9865] _cell_length_c [10.6584] _ce...

3.53

0.0

0.5873

0.0

MP

Hg3(SeF)2

data_[Hg12Se8F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 Se 2.5500 1.1500 1.0133 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I2_13] _cell_length_a [8.6280] _cell_length_b [8.6280] _cell_length_c [8.6280] _ce...

1.975

0.0

0.4524

0.0

MP

Ba5Al3F19

data_[Ba20Al12F76] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Al 1.6100 1.2500 0.6750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [14.8325] _cell_length_b [14.8325] _cell_length_c [7.5684] ...

6.9

0.006

0.7546

0.0101

MP

Mg5(AlSe4)2

data_[Mg20Al8Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Al 1.6100 1.2500 0.6750 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.7606] _cell_length_b [9.8603] _cell_length_c [17.0738] _c...

1.123

0.297

0.3364

0.2073

MP

KNaSmNbO5

data_[K2Na2Sm2Nb2O10] 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 Sm 1.1700 1.8500 1.2290 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length...

3.494

0.0

0.5848

0.0

MP

V2P2PbO10

data_[V8P8Pb4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 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 [5.2834] _cell_length_b [8.7872...

2.08

0.005

0.4639

0.0088

MP

Mg30NbFeO32

data_[Mg30Nb1Fe1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Nb 1.6000 1.4500 0.8200 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5565] _cell_length_b [8...

0.318

0.072

0.1508

0.0722

MP

P2Pb3O8

data_[P12Pb18O48] 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 [P-3] _cell_length_a [9.9749] _cell_length_b [9.9749] _cell_length_c [14.6598] _cel...

3.21

0.009

0.5644

0.014

MP

CaPbI4

data_[Ca4Pb4I16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Pb 2.3300 1.8000 1.1225 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.0403] _cell_length_b [14.6037] _cell_length_c [9.4547] _...

2.79

0.05

0.5311

0.0544

MP

TmSbPd

data_[Tm4Sb4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Sb 2.0500 1.4500 0.8300 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.6927] _cell_length_b [6.6927] _cell_length_c [6.6927] _c...

0.356

0.272

0.1631

0.1948

MP

RbHO

data_[Rb2H2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [4.2677] _cell_length_b [4.2206] _cell_length_c [5.9916] _cell_a...

3.344

0.0

0.5742

0.0

MP

K4Sr2SnAs4

data_[K24Sr12Sn6As24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sr 0.9500 2.0000 1.3200 Sn 1.9600 1.4500 0.8300 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P6_3cm] _cell_length_a [18.2985] _cell_length_b ...

0.538

0.0

0.2151

0.0

MP

FeTe3BrO7

data_[Fe4Te12Br4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Te 2.1000 1.4000 1.2933 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.2724] _cell_length_b [...

1.091

0.0

0.3309

0.0

MP

Li3Pr2(BO3)3

data_[Li12Pr8B12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Pr 1.1300 1.8500 1.0600 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.8856] _cell_length_b [14...

4.756

0.0

0.6606

0.0

MP

MnInF3

data_[Mn3In3F9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 In 1.7800 1.5500 0.9400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [6.0921] _cell_length_b [6.0921] _cell_length_c [7.4537] _cell_...

0.001

0.032

0.0017

0.0383

MP

Cs3FeMo4O15

data_[Cs12Fe4Mo16O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Fe 1.8300 1.4000 0.8525 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.7703] _cell_length_b ...

2.363

0.084

0.4926

0.0813

MP

NaAsO3

data_[Na6As6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.4572] _cell_length_b [7.6152] _cell_length_c [8.2612] _cell...

2.863

0.0

0.5372

0.0

MP

AlBiO3

data_[Al1Bi1O3] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.7872] _cell_length_b [3.7872] _cell_length_c [3.7872] _cel...

1.586

0.122

0.4052

0.108

MP

La2Ga4O9

data_[La4Ga8O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [7.8030] _cell_length_b [8.7739] _cell_length_c [5.9729] _cel...

2.971

0.088

0.5459

0.0842

MP

K4Pb9

data_[K16Pb36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [9.8255] _cell_length_b [13.4687] _cell_length_c [16.2005] _cell_angle_alpha [90.0000] _ce...

0.369

0.007

0.1672

0.0115

MP

LiAuS

data_[Li16Au16S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Au 2.5400 1.3500 1.0700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [9.0473] _cell_length_b [9.1307] _cell_length_c [11.3602] _...

1.58

0.0

0.4044

0.0

MP

K9FeS7

data_[K36Fe4S28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Fe 1.8300 1.4000 0.8525 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.8013] _cell_length_b [7.9575] _cell_length_c [23.9645] _...

0.084

0.101

0.0563

0.0936

MP

Gd3SbO7

data_[Gd12Sb4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C222_1] _cell_length_a [7.5810] _cell_length_b [10.7110] _cell_length_c [7.6045] ...

2.541

0.0

0.5093

0.0

MP

Na9V14O35

data_[Na18V28O70] 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 [P2/c] _cell_length_a [15.3636] _cell_length_b [5.2218] _cell_length_c [21.0516] _c...

0.493

0.013

0.2031

0.0188

MP

Nb2CoO6

data_[Nb4Co2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [4.8294] _cell_length_b [4.8294] _cell_length_c [9.2114] ...

1.959

0.022

0.4506

0.0285

MP

BCl3

data_[B2Cl6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [6.4778] _cell_length_b [6.4778] _cell_length_c [7.6559] _cell_angle_alpha [90.0000] _cell_a...

4.713

0.0

0.6584

0.0

MP

GdWClO4

data_[Gd4W4Cl4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 W 2.3600 1.3500 0.7667 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.4560] _cell_length_b [7.449...

2.547

0.01

0.5099

0.0152

MP

HoTa7O19

data_[Ho2Ta14O38] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-6c2] _cell_length_a [6.2636] _cell_length_b [6.2636] _cell_length_c [20.0930] _...

3.16

0.018

0.5606

0.0243

MP

Ba3Fe2(Ge2O7)2

data_[Ba6Fe4Ge8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Fe 1.8300 1.4000 0.8525 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [15.0412] _cell_length_b [8.620...

0.397

0.006

0.1757

0.0101

MP

BiP4HO12

data_[Bi2P8H2O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 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 [P-1] _cell_length_a [7.2481] _cell_length_b [8.7766] _...

4.989

0.0

0.6726

0.0

MP

Li4Mn(PO4)2

data_[Li4Mn1P2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.0335] _cell_length_b [5.2451] ...

4.27

0.055

0.6339

0.0585

MP

Li2Fe3(P2O7)2

data_[Li4Fe6P8O28] 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 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 [5.2936] _cell_length_b [6.6091]...

3.763

0.027

0.6028

0.0335

MP

Ba2AsBr

data_[Ba4As2Br2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 As 2.1800 1.1500 0.6600 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.3102] _cell_length_b [12.7458] _cell_length_c [17.9861] ...

0.724

1.157

0.2596

0.4934

MP

Li2CrCo3O8

data_[Li24Cr12Co36O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R32] _cell_length_a [11.5549] _cell_length_b [1...

0.561

0.014

0.221

0.0199

MP

Na4UCr3O14

data_[Na8U2Cr6O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 U 1.3800 1.7500 0.9913 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.3349] _cell_length_b [8.6444]...

2.033

0.0

0.4588

0.0

MP

MgSi(HO2)2

data_[Mg1Si1H2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [4.3351] _cell_length_b [2.8596] _...

5.154

0.152

0.6807

0.1274