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	Li3TeHO4	data_[Li6Te2H2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Te 2.1000 1.4000 1.2933 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 [5.5270] _cell_length_b [6.417...	3.593	0.0	0.5915	0.0
MP	SmS2	data_[Sm4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.0611] _cell_length_b [3.9914] _cell_length_c [7.9672] _cell_angle_alpha [90.0000] _cell_a...	0.529	0.0	0.2128	0.0
MP	Na2O	data_[Na68O34] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [11.1313] _cell_length_b [12.2610] _cell_length_c [12.7779] _cell_angle_alpha [89.1970] _cell_...	0.675	0.147	0.2486	0.1243
MP	Li5VF8	data_[Li10V2F16] 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 [Cmmm] _cell_length_a [5.8201] _cell_length_b [8.5521] _cell_length_c [5.9631] _cell...	2.491	0.047	0.5047	0.0518
MP	LiH2IO	data_[Li2H4I2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 H 2.2000 0.2500 0.0000 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.6733] _cell_length_b [4.3900] _...	4.041	0.001	0.6203	0.0024
MP	Ca2Al4Si4H10O21	data_[Ca8Al16Si16H40O84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 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 [C2/c] _cell_lengt...	4.986	0.012	0.6724	0.0176
MP	CuBi5PbS9	data_[Cu4Bi20Pb4S36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Bi 2.0200 1.6000 1.0350 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.6889] _cell_length_b [4....	0.602	0.004	0.2312	0.0073
MP	Ba3SrY8(CuO5)4	data_[Ba3Sr1Y8Cu4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 Y 1.2200 1.8000 1.0400 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [...	0.272	0.045	0.1351	0.0501
MP	RbI3	data_[Rb4I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.0198] _cell_length_b [6.9946] _cell_length_c [10.1156] _cell_angle_alpha [90.0000] _cell_...	1.627	0.0	0.4106	0.0
MP	GdF3	data_[Gd4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.6648] _cell_length_b [5.6648] _cell_length_c [5.6648] _cell_angle_alpha [90.0000] _cell_a...	2.862	0.0	0.5371	0.0
MP	Al2Zn2S5	data_[Al4Zn4S10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Zn 1.6500 1.3500 0.8800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [6.5764] _cell_length_b [6.1971] _cell_length_c [9.9932] _cel...	3.56	0.013	0.5893	0.0188
MP	KFeNi(PO4)2	data_[K4Fe4Ni4P8O32] 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 Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a...	2.463	0.0	0.5021	0.0
MP	Fe4H14O13	data_[Fe4H14O13] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 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 [6.6477] _cell_length_b [6.7124] _cell_length_c [6.7516] _cell_...	1.809	0.121	0.4332	0.1073
MP	CsCoNiF6	data_[Cs4Co4Ni4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Co 1.8800 1.3500 0.7683 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.3638] _cell_length_b [7.40...	1.498	0.0	0.3934	0.0
MP	Zn2AsO6	data_[Zn16As8O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [13.7353] _cell_length_b [8.0126] _cell_length_c [10.4859]...	0.247	0.421	0.1261	0.2637
MP	Mn(CO3)2	data_[Mn2C4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.2728] _cell_length_b [7.3803] _cell_length_c [6.8489] _cel...	1.281	0.101	0.3618	0.0936
MP	Na3As	data_[Na18As6] 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 ] _symmetry_space_group_name_H-M [P6_3cm] _cell_length_a [8.8417] _cell_length_b [8.8417] _cell_length_c [9.0578] _cell_angle_alpha [90.0000] _cel...	0.064	0.0	0.0457	0.0
MP	Rb3ZnH5	data_[Rb12Zn4H20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Zn 1.6500 1.3500 0.8800 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [7.9708] _cell_length_b [7.9708] _cell_length_c [11.6963] ...	3.075	0.001	0.5541	0.0024
MP	Li2TiNiO4	data_[Li2Ti1Ni1O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.1028] _cell_length_b [2.975...	1.757	0.035	0.4269	0.0411
MP	ReH(CO)4	data_[Re20H20C80O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.3677] _cell_length_b [18.618...	2.909	0.276	0.5409	0.1968
MP	LiTe3	data_[Li2Te6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Im-3m] _cell_length_a [6.2081] _cell_length_b [6.2081] _cell_length_c [6.2081] _cell_angle_alpha [90.0000] _cell_...	0.224	0.0	0.1175	0.0
MP	LiMn2P3O11	data_[Li4Mn8P12O44] 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 [C2] _cell_length_a [11.8394] _cell_length_b [8.5835...	1.012	0.041	0.317	0.0465
MP	Rb3YN6	data_[Rb18Y6N36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Y 1.2200 1.8000 1.0400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [11.6811] _cell_length_b [11.6811] _cell_length_c [13.8619] _c...	0.039	1.731	0.031	0.6112
MP	Ca3BiN	data_[Ca3Bi1N1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Bi 2.0200 1.6000 1.0350 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.9197] _cell_length_b [4.9197] _cell_length_c [4.9197] _cel...	0.369	0.0	0.1672	0.0
MP	LiMn2F5	data_[Li4Mn8F20] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.5041] _cell_length_b [8.0051] _cell_length_c [8.9565] _cell...	3.326	0.044	0.5729	0.0492
MP	Li6NbV3(PO4)6	data_[Li6Nb1V3P6O24] 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 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8....	0.181	0.068	0.1005	0.069
MP	SrP	data_[Sr6P6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [8.1004] _cell_length_b [8.1004] _cell_length_c [6.0505] _cell_angle_alpha [90.0000] _cell_an...	0.459	0.0	0.1938	0.0
MP	Li4Co3(OF3)2	data_[Li4Co3O2F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.2245] _cell_length_b [5.2638] ...	2.593	0.083	0.514	0.0805
MP	Pr6Cd(GeS7)2	data_[Pr6Cd1Ge2S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Cd 1.6900 1.5500 1.0900 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P3] _cell_length_a [10.3330] _cell_length_b [10.33...	2.031	0.0	0.4586	0.0
MP	NiGe7N10	data_[Ni2Ge14N20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [6.9180] _cell_length_b [7.4215] _cell_length_c [10.2323] _cel...	0.582	0.215	0.2263	0.1645
MP	VHO3	data_[V6H6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1900] _cell_length_b [8.1853] _cell_length_c [8.6276] _cell_angl...	2.108	0.049	0.4668	0.0535
MP	Mn2Te3O8	data_[Mn8Te12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [13.1055] _cell_length_b [5.5078] _cell_length_c [12.0551] _...	2.185	0.0	0.4749	0.0
MP	La11(MnC6)3	data_[La66Mn18C108] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.6483 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [15.2272] _cell_length_b [15.2272] _cell_length_c [15.9969]...	0.534	0.0	0.2141	0.0
MP	Cd5H18C8N20(Cl2O)2	data_[Cd10H36C16N40Cl8O4] 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...	2.851	0.198	0.5362	0.1549
MP	Ba5P3O12F	data_[Ba10P6O24F2] 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 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [10.3653] _cell_length_b [10.3...	5.074	0.0	0.6768	0.0
MP	Li3Mo2P3O14	data_[Li24Mo16P24O112] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 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 [15.3640] _cell_length_b ...	1.283	0.09	0.3621	0.0857
MP	Na5Mn2P2(CO7)2	data_[Na5Mn2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [5....	0.154	0.004	0.0892	0.0073
MP	NaNdNb4O12	data_[Na2Nd2Nb8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nd 1.1400 1.8500 1.2765 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.6206] _cell_length_b [5....	1.34	0.053	0.3707	0.0569
MP	LiNbO3	data_[Li10Nb10O30] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.2500] _cell_length_b [5.5834] _cell_length_c [21.7267] _ce...	2.962	0.01	0.5452	0.0152
MP	Ca2Si	data_[Ca8Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.6148] _cell_length_b [4.8199] _cell_length_c [9.0472] _cell_angle_alpha [90.0000] _cell_a...	0.292	0.001	0.142	0.0024
MP	Na3InH3(SO4)3	data_[Na18In6H18S18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 In 1.7800 1.5500 0.9400 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 [P-3] _cell_length_a...	3.073	0.447	0.5539	0.2746
MP	Co5SnO12	data_[Co10Sn2O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.0435] _cell_length_b [8.7433] _cell_length_c [9.5317] _ce...	0.995	0.092	0.314	0.0871
MP	NaMn4(AsO4)3	data_[Na4Mn16As12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.4949] _cell_length_b [1...	1.115	0.0	0.335	0.0
MP	Sb6Pb4S13	data_[Sb12Pb8S26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.9584] _cell_length_b [17.0227] _cell_length_c [17.9910] _ce...	0.934	0.02	0.3026	0.0264
MP	Ba3ZrTa4O15	data_[Ba6Zr2Ta8O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4bm] _cell_length_a [12.8291] _cell_length_b [12....	2.44	0.006	0.5	0.0101
MP	KBe2BO3F2	data_[K3Be6B3O9F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Be 1.5700 1.0500 0.5900 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R32] _cell_length_a [4.45...	6.052	0.0	0.7213	0.0
MP	Mn4Be3Si3SeO12	data_[Mn8Be6Si6Se2O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-43n] _cell_lengt...	3.187	0.0	0.5626	0.0
MP	RbHSeO4	data_[Rb4H4Se4O16] 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 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [4.6616] _cell_length_b [...	3.624	0.0	0.5936	0.0
MP	CaNb2Ga2(CuO4)3	data_[Ca2Nb4Ga4Cu6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Nb 1.6000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pn-3] _cell_length...	0.393	0.087	0.1745	0.0835
MP	TaSe2	data_[Ta13Se26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.1801] _cell_length_b [9.8053] _cell_length_c [11.5015] _cell_angle_alpha [72.2784] _cell...	0.273	0.008	0.1354	0.0128
MP	Co(IO3)2	data_[Co4I8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [5.3715] _cell_length_b [5.6594] _cell_length_c [17.7463]...	2.162	0.036	0.4725	0.042
MP	RbHo(MoO4)2	data_[Rb4Ho4Mo8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ho 1.2300 1.7500 1.0410 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.7814] _cell_length_b [10....	3.131	0.026	0.5584	0.0325
MP	LiVCoO4	data_[Li4V4Co4O16] 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 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [5.8761] _cell_length_b [5.9553...	2.071	0.01	0.4629	0.0152
MP	KCaBr3	data_[K2Ca2Br6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ca 1.0000 1.8000 1.1400 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [8.0996] _cell_length_b [8.0835] _cell_length_c [5.7163] _cell_a...	3.898	0.055	0.6114	0.0585
MP	Sr2MnSbO6	data_[Sr4Mn2Sb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Mn 1.5500 1.4000 0.6483 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [5.5284] _cell_length_b [5.52...	0.879	0.0	0.292	0.0
MP	Sm3TaO7	data_[Sm12Ta4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.5972] _cell_length_b [10.8391] _cell_length_c [7.6778] _c...	3.578	0.002	0.5905	0.0042
MP	LiMnPO4	data_[Li6Mn6P6O24] 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 [P31c] _cell_length_a [7.5890] _cell_length_b [7.5890...	3.353	0.024	0.5748	0.0305
MP	Nb3Sb(PO4)6	data_[Nb9Sb3P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Sb 2.0500 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.9255] _cell_length_b [8.9255]...	1.21	0.005	0.3507	0.0088
MP	Li4Mn3V5O16	data_[Li4Mn3V5O16] 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 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.8425] _cell_length_b [5.8969] ...	0.81	0.064	0.278	0.0659
MP	Rb2Cu3(P2O7)2	data_[Rb4Cu6P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 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 [7.8288] _cell_length_b [10.7...	0.607	0.0	0.2325	0.0
MP	Ca2Mn7Si10H12O35	data_[Ca2Mn7Si10H12O35] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mn 1.5500 1.4000 0.6483 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 [P1] _cell_length_a...	2.729	0.01	0.5259	0.0152
MP	K2LiNb6(PO8)3	data_[K2Li1Nb6P3O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 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....	2.295	0.0	0.486	0.0
MP	BaTmCo4O7	data_[Ba4Tm4Co16O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Tm 1.2500 1.7500 1.0950 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [6.4033] _cell_length_b [10.99...	0.119	0.015	0.0735	0.021
MP	SrCa3Zr16(PO4)24	data_[Sr3Ca9Zr48P72O288] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 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 [R-3] _cell_length...	4.177	0.005	0.6284	0.0088
MP	Si	data_[Si46] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [10.1015] _cell_length_b [10.1015] _cell_length_c [10.1015] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_a...	1.372	0.107	0.3755	0.0978
MP	Li2Ti4Ni(PO5)4	data_[Li2Ti4Ni1P4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 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 [P-1] _cell_length_a ...	2.938	0.01	0.5433	0.0152
MP	Rb2SnO2	data_[Rb8Sn4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [5.8871] _cell_length_b [7.6420] _cell_length_c [11.4377...	2.225	0.0	0.479	0.0
MP	Na3AlSe3	data_[Na12Al4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Al 1.6100 1.2500 0.6750 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.5669] _cell_length_b [7.2984] _cell_length_c [15.2722...	2.383	0.0	0.4946	0.0
MP	MgAl2O4	data_[Mg6Al12O24] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.7486] _cell_length_b [5.7486] _cell_length_c [14.2237] _ce...	4.498	0.051	0.6467	0.0552
MP	Dy3Mg2CrS8	data_[Dy9Mg6Cr3S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Mg 1.3100 1.5000 0.8600 Cr 1.6600 1.4000 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.7907] _cell_length_b [7.79...	1.074	0.054	0.328	0.0577
MP	Mo2(PO4)3	data_[Mo8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pbcm] _cell_length_a [8.9274] _cell_length_b [9.1391] _cell_length_c [12.4992] _cel...	0.043	0.02	0.0335	0.0264
MP	PrBiO4	data_[Pr4Bi4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [5.6853] _cell_length_b [10.9834] _cell_length_c [5.7557] _ce...	0.549	0.019	0.2179	0.0254
MP	Li4Fe2OF8	data_[Li16Fe8O4F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [8.8422] _cell_length_b [5.1155]...	2.678	0.057	0.5215	0.0602
MP	KNa2(NiO2)2	data_[K4Na8Ni8O16] 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 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.8212] _cell_length_b [11.1...	1.058	0.029	0.3252	0.0354
MP	PdSe2	data_[Pd2Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pd 2.2000 1.4000 0.8462 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [20.1917] _cell_length_b [5.7512] _cell_length_c [5.8972] _cell_angle_alpha [90.0000] _cel...	1.377	0.055	0.3762	0.0585
MP	Na2B4O17	data_[Na8B16O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.6861] _cell_length_b [10.8349] _cell_length_c [13.5341] _c...	0.838	0.535	0.2838	0.3091
MP	Te2Mo2WSe4	data_[Te2Mo2W1Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.4032] _cell_length_b [3.40...	0.018	0.136	0.0168	0.1172
MP	LiFe2F5	data_[Li4Fe8F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.7495] _cell_length_b [5.3274] _cell_length_c [5.4699] _ce...	3.376	0.079	0.5765	0.0775
MP	LiMnPO4	data_[Li4Mn4P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [8.0113] _cell_length_b [4.9192...	3.423	0.049	0.5798	0.0535
MP	Sr(H8O5)2	data_[Sr2H32O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [6.3406] _cell_length_b [6.3426] _cell_length_c [11.1619] _cell_...	3.853	0.001	0.6086	0.0024
MP	YLuO3	data_[Y4Lu4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Lu 1.2700 1.7500 1.0010 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.8906] _cell_length_b [8.2185] _cell_length_c [5.6048] _cell_...	4.743	0.076	0.6599	0.0752
MP	Rb2EuF5	data_[Rb8Eu4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Eu 1.2000 1.8500 1.1985 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [11.7183] _cell_length_b [7.0200] _cell_length_c [7.7578] _...	0.063	0.0	0.0451	0.0
MP	LiMn2(PO4)3	data_[Li4Mn8P12O48] 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 [P2_1/c] _cell_length_a [8.2500] _cell_length_b [8.4...	1.101	0.017	0.3327	0.0232
MP	Na3FeH10C6O17	data_[Na24Fe8H80C48O136] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Fe 1.8300 1.4000 0.8525 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length...	2.63	0.072	0.5173	0.0722
MP	GdTl(MoO4)2	data_[Gd4Tl4Mo8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Tl 1.6200 1.9000 1.3325 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [5.1909] _cell_length_b [18.8...	2.936	0.0	0.5431	0.0
MP	ScCr2Ag(H2O5)2	data_[Sc1Cr2Ag1H4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cr 1.6600 1.4000 0.9400 Ag 1.9300 1.6000 1.0867 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 ...	1.768	0.0	0.4283	0.0
MP	NaMgN	data_[Na2Mg2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mg 1.3100 1.5000 0.8600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.5509] _cell_length_b [3.5509] _cell_length_c [8.8804] _ce...	0.0	0.196	0.0	0.1537
MP	C9F5	data_[C216F120] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [13.5319] _cell_length_b [23.5649] _cell_length_c [13.6982] _cell_angle_alpha [90.0000] _cel...	1.499	0.221	0.3935	0.1678
MP	SnPCl9	data_[Sn4P4Cl36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Cmme] _cell_length_a [12.5322] _cell_length_b [17.0440] _cell_length_c [6.7439] _c...	2.462	0.008	0.502	0.0128
MP	NaH	data_[Na4H4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [4.8271] _cell_length_b [4.8271] _cell_length_c [4.8271] _cell_angle_alpha [90.0000] _cell_an...	3.767	0.0	0.6031	0.0
MP	K2ScTlBr6	data_[K8Sc4Tl4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.6421] _cell_length_b [11...	3.06	0.027	0.5529	0.0335
MP	Li24Mn11CrO36	data_[Li24Mn11Cr1O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.0081] _cell_length_b [10.5...	1.249	0.007	0.3568	0.0115
MP	SrCa3Ti4O12	data_[Sr1Ca3Ti4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [5.4688] _cell_length_b [7.7622...	2.17	0.01	0.4733	0.0152
MP	Ba3In2(PO4)4	data_[Ba6In4P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 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 [9.0754] _cell_length_b [9.80...	3.725	0.0	0.6003	0.0
MP	MgVCrO4	data_[Mg4V4Cr4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [6.0123] _cell_length_b [6.0290...	1.858	0.0	0.439	0.0
MP	Li2MnFe(PO4)2	data_[Li8Mn4Fe4P8O32] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [...	3.812	0.002	0.606	0.0042
MP	SrCaI4	data_[Sr8Ca8I32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [15.3817] _cell_length_b [13.8732] _cell_length_c [13.0628] _...	3.167	0.095	0.5611	0.0893
MP	Rb2YGa(SiO3)4	data_[Rb16Y8Ga8Si32O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Y 1.2200 1.8000 1.0400 Ga 1.8100 1.3000 0.7600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length...	4.169	0.0	0.6279	0.0
MP	Na3V5O10	data_[Na6V10O20] 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 [P-1] _cell_length_a [5.2004] _cell_length_b [6.5777] _cell_length_c [13.3780] _cell...	0.936	0.027	0.303	0.0335
MP	KCdF3	data_[K4Cd4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cd 1.6900 1.5500 1.0900 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.2893] _cell_length_b [8.8018] _cell_length_c [6.1867] _cell_...	3.354	0.0	0.5749	0.0

MP

Li3TeHO4

data_[Li6Te2H2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Te 2.1000 1.4000 1.2933 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 [5.5270] _cell_length_b [6.417...

3.593

0.0

0.5915

0.0

MP

SmS2

data_[Sm4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.0611] _cell_length_b [3.9914] _cell_length_c [7.9672] _cell_angle_alpha [90.0000] _cell_a...

0.529

0.0

0.2128

0.0

MP

Na2O

data_[Na68O34] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [11.1313] _cell_length_b [12.2610] _cell_length_c [12.7779] _cell_angle_alpha [89.1970] _cell_...

0.675

0.147

0.2486

0.1243

MP

Li5VF8

data_[Li10V2F16] 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 [Cmmm] _cell_length_a [5.8201] _cell_length_b [8.5521] _cell_length_c [5.9631] _cell...

2.491

0.047

0.5047

0.0518

MP

LiH2IO

data_[Li2H4I2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 H 2.2000 0.2500 0.0000 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.6733] _cell_length_b [4.3900] _...

4.041

0.001

0.6203

0.0024

MP

Ca2Al4Si4H10O21

data_[Ca8Al16Si16H40O84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 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 [C2/c] _cell_lengt...

4.986

0.012

0.6724

0.0176

MP

CuBi5PbS9

data_[Cu4Bi20Pb4S36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Bi 2.0200 1.6000 1.0350 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.6889] _cell_length_b [4....

0.602

0.004

0.2312

0.0073

MP

Ba3SrY8(CuO5)4

data_[Ba3Sr1Y8Cu4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 Y 1.2200 1.8000 1.0400 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [...

0.272

0.045

0.1351

0.0501

MP

RbI3

data_[Rb4I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.0198] _cell_length_b [6.9946] _cell_length_c [10.1156] _cell_angle_alpha [90.0000] _cell_...

1.627

0.0

0.4106

0.0

MP

GdF3

data_[Gd4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [5.6648] _cell_length_b [5.6648] _cell_length_c [5.6648] _cell_angle_alpha [90.0000] _cell_a...

2.862

0.0

0.5371

0.0

MP

Al2Zn2S5

data_[Al4Zn4S10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Zn 1.6500 1.3500 0.8800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [6.5764] _cell_length_b [6.1971] _cell_length_c [9.9932] _cel...

3.56

0.013

0.5893

0.0188

MP

KFeNi(PO4)2

data_[K4Fe4Ni4P8O32] 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 Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a...

2.463

0.0

0.5021

0.0

MP

Fe4H14O13

data_[Fe4H14O13] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 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 [6.6477] _cell_length_b [6.7124] _cell_length_c [6.7516] _cell_...

1.809

0.121

0.4332

0.1073

MP

CsCoNiF6

data_[Cs4Co4Ni4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Co 1.8800 1.3500 0.7683 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.3638] _cell_length_b [7.40...

1.498

0.0

0.3934

0.0

MP

Zn2AsO6

data_[Zn16As8O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [13.7353] _cell_length_b [8.0126] _cell_length_c [10.4859]...

0.247

0.421

0.1261

0.2637

MP

Mn(CO3)2

data_[Mn2C4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.2728] _cell_length_b [7.3803] _cell_length_c [6.8489] _cel...

1.281

0.101

0.3618

0.0936

MP

Na3As

data_[Na18As6] 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 ] _symmetry_space_group_name_H-M [P6_3cm] _cell_length_a [8.8417] _cell_length_b [8.8417] _cell_length_c [9.0578] _cell_angle_alpha [90.0000] _cel...

0.064

0.0

0.0457

0.0

MP

Rb3ZnH5

data_[Rb12Zn4H20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Zn 1.6500 1.3500 0.8800 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [7.9708] _cell_length_b [7.9708] _cell_length_c [11.6963] ...

3.075

0.001

0.5541

0.0024

MP

Li2TiNiO4

data_[Li2Ti1Ni1O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.1028] _cell_length_b [2.975...

1.757

0.035

0.4269

0.0411

MP

ReH(CO)4

data_[Re20H20C80O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.3677] _cell_length_b [18.618...

2.909

0.276

0.5409

0.1968

MP

LiTe3

data_[Li2Te6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Im-3m] _cell_length_a [6.2081] _cell_length_b [6.2081] _cell_length_c [6.2081] _cell_angle_alpha [90.0000] _cell_...

0.224

0.0

0.1175

0.0

MP

LiMn2P3O11

data_[Li4Mn8P12O44] 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 [C2] _cell_length_a [11.8394] _cell_length_b [8.5835...

1.012

0.041

0.317

0.0465

MP

Rb3YN6

data_[Rb18Y6N36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Y 1.2200 1.8000 1.0400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [11.6811] _cell_length_b [11.6811] _cell_length_c [13.8619] _c...

0.039

1.731

0.031

0.6112

MP

Ca3BiN

data_[Ca3Bi1N1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Bi 2.0200 1.6000 1.0350 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.9197] _cell_length_b [4.9197] _cell_length_c [4.9197] _cel...

0.369

0.0

0.1672

0.0

MP

LiMn2F5

data_[Li4Mn8F20] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.5041] _cell_length_b [8.0051] _cell_length_c [8.9565] _cell...

3.326

0.044

0.5729

0.0492

MP

Li6NbV3(PO4)6

data_[Li6Nb1V3P6O24] 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 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8....

0.181

0.068

0.1005

0.069

MP

SrP

data_[Sr6P6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [8.1004] _cell_length_b [8.1004] _cell_length_c [6.0505] _cell_angle_alpha [90.0000] _cell_an...

0.459

0.0

0.1938

0.0

MP

Li4Co3(OF3)2

data_[Li4Co3O2F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.2245] _cell_length_b [5.2638] ...

2.593

0.083

0.514

0.0805

MP

Pr6Cd(GeS7)2

data_[Pr6Cd1Ge2S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Cd 1.6900 1.5500 1.0900 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P3] _cell_length_a [10.3330] _cell_length_b [10.33...

2.031

0.0

0.4586

0.0

MP

NiGe7N10

data_[Ni2Ge14N20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [6.9180] _cell_length_b [7.4215] _cell_length_c [10.2323] _cel...

0.582

0.215

0.2263

0.1645

MP

VHO3

data_[V6H6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1900] _cell_length_b [8.1853] _cell_length_c [8.6276] _cell_angl...

2.108

0.049

0.4668

0.0535

MP

Mn2Te3O8

data_[Mn8Te12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [13.1055] _cell_length_b [5.5078] _cell_length_c [12.0551] _...

2.185

0.0

0.4749

0.0

MP

La11(MnC6)3

data_[La66Mn18C108] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.6483 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [15.2272] _cell_length_b [15.2272] _cell_length_c [15.9969]...

0.534

0.0

0.2141

0.0

MP

Cd5H18C8N20(Cl2O)2

data_[Cd10H36C16N40Cl8O4] 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...

2.851

0.198

0.5362

0.1549

MP

Ba5P3O12F

data_[Ba10P6O24F2] 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 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [10.3653] _cell_length_b [10.3...

5.074

0.0

0.6768

0.0

MP

Li3Mo2P3O14

data_[Li24Mo16P24O112] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 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 [15.3640] _cell_length_b ...

1.283

0.09

0.3621

0.0857

MP

Na5Mn2P2(CO7)2

data_[Na5Mn2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [5....

0.154

0.004

0.0892

0.0073

MP

NaNdNb4O12

data_[Na2Nd2Nb8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nd 1.1400 1.8500 1.2765 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [5.6206] _cell_length_b [5....

1.34

0.053

0.3707

0.0569

MP

LiNbO3

data_[Li10Nb10O30] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.2500] _cell_length_b [5.5834] _cell_length_c [21.7267] _ce...

2.962

0.01

0.5452

0.0152

MP

Ca2Si

data_[Ca8Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.6148] _cell_length_b [4.8199] _cell_length_c [9.0472] _cell_angle_alpha [90.0000] _cell_a...

0.292

0.001

0.142

0.0024

MP

Na3InH3(SO4)3

data_[Na18In6H18S18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 In 1.7800 1.5500 0.9400 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 [P-3] _cell_length_a...

3.073

0.447

0.5539

0.2746

MP

Co5SnO12

data_[Co10Sn2O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.0435] _cell_length_b [8.7433] _cell_length_c [9.5317] _ce...

0.995

0.092

0.314

0.0871

MP

NaMn4(AsO4)3

data_[Na4Mn16As12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.4949] _cell_length_b [1...

1.115

0.0

0.335

0.0

MP

Sb6Pb4S13

data_[Sb12Pb8S26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.9584] _cell_length_b [17.0227] _cell_length_c [17.9910] _ce...

0.934

0.02

0.3026

0.0264

MP

Ba3ZrTa4O15

data_[Ba6Zr2Ta8O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Zr 1.3300 1.5500 0.8600 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4bm] _cell_length_a [12.8291] _cell_length_b [12....

2.44

0.006

0.5

0.0101

MP

KBe2BO3F2

data_[K3Be6B3O9F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Be 1.5700 1.0500 0.5900 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R32] _cell_length_a [4.45...

6.052

0.0

0.7213

0.0

MP

Mn4Be3Si3SeO12

data_[Mn8Be6Si6Se2O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-43n] _cell_lengt...

3.187

0.0

0.5626

0.0

MP

RbHSeO4

data_[Rb4H4Se4O16] 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 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [4.6616] _cell_length_b [...

3.624

0.0

0.5936

0.0

MP

CaNb2Ga2(CuO4)3

data_[Ca2Nb4Ga4Cu6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Nb 1.6000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pn-3] _cell_length...

0.393

0.087

0.1745

0.0835

MP

TaSe2

data_[Ta13Se26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.1801] _cell_length_b [9.8053] _cell_length_c [11.5015] _cell_angle_alpha [72.2784] _cell...

0.273

0.008

0.1354

0.0128

MP

Co(IO3)2

data_[Co4I8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [5.3715] _cell_length_b [5.6594] _cell_length_c [17.7463]...

2.162

0.036

0.4725

0.042

MP

RbHo(MoO4)2

data_[Rb4Ho4Mo8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ho 1.2300 1.7500 1.0410 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.7814] _cell_length_b [10....

3.131

0.026

0.5584

0.0325

MP

LiVCoO4

data_[Li4V4Co4O16] 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 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [5.8761] _cell_length_b [5.9553...

2.071

0.01

0.4629

0.0152

MP

KCaBr3

data_[K2Ca2Br6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ca 1.0000 1.8000 1.1400 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [8.0996] _cell_length_b [8.0835] _cell_length_c [5.7163] _cell_a...

3.898

0.055

0.6114

0.0585

MP

Sr2MnSbO6

data_[Sr4Mn2Sb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Mn 1.5500 1.4000 0.6483 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [5.5284] _cell_length_b [5.52...

0.879

0.0

0.292

0.0

MP

Sm3TaO7

data_[Sm12Ta4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.5972] _cell_length_b [10.8391] _cell_length_c [7.6778] _c...

3.578

0.002

0.5905

0.0042

MP

LiMnPO4

data_[Li6Mn6P6O24] 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 [P31c] _cell_length_a [7.5890] _cell_length_b [7.5890...

3.353

0.024

0.5748

0.0305

MP

Nb3Sb(PO4)6

data_[Nb9Sb3P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Sb 2.0500 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.9255] _cell_length_b [8.9255]...

1.21

0.005

0.3507

0.0088

MP

Li4Mn3V5O16

data_[Li4Mn3V5O16] 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 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.8425] _cell_length_b [5.8969] ...

0.81

0.064

0.278

0.0659

MP

Rb2Cu3(P2O7)2

data_[Rb4Cu6P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 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 [7.8288] _cell_length_b [10.7...

0.607

0.0

0.2325

0.0

MP

Ca2Mn7Si10H12O35

data_[Ca2Mn7Si10H12O35] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mn 1.5500 1.4000 0.6483 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 [P1] _cell_length_a...

2.729

0.01

0.5259

0.0152

MP

K2LiNb6(PO8)3

data_[K2Li1Nb6P3O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 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....

2.295

0.0

0.486

0.0

MP

BaTmCo4O7

data_[Ba4Tm4Co16O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Tm 1.2500 1.7500 1.0950 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [6.4033] _cell_length_b [10.99...

0.119

0.015

0.0735

0.021

MP

SrCa3Zr16(PO4)24

data_[Sr3Ca9Zr48P72O288] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 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 [R-3] _cell_length...

4.177

0.005

0.6284

0.0088

MP

Si

data_[Si46] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [10.1015] _cell_length_b [10.1015] _cell_length_c [10.1015] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_a...

1.372

0.107

0.3755

0.0978

MP

Li2Ti4Ni(PO5)4

data_[Li2Ti4Ni1P4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 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 [P-1] _cell_length_a ...

2.938

0.01

0.5433

0.0152

MP

Rb2SnO2

data_[Rb8Sn4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [5.8871] _cell_length_b [7.6420] _cell_length_c [11.4377...

2.225

0.0

0.479

0.0

MP

Na3AlSe3

data_[Na12Al4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Al 1.6100 1.2500 0.6750 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.5669] _cell_length_b [7.2984] _cell_length_c [15.2722...

2.383

0.0

0.4946

0.0

MP

MgAl2O4

data_[Mg6Al12O24] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.7486] _cell_length_b [5.7486] _cell_length_c [14.2237] _ce...

4.498

0.051

0.6467

0.0552

MP

Dy3Mg2CrS8

data_[Dy9Mg6Cr3S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Mg 1.3100 1.5000 0.8600 Cr 1.6600 1.4000 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.7907] _cell_length_b [7.79...

1.074

0.054

0.328

0.0577

MP

Mo2(PO4)3

data_[Mo8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pbcm] _cell_length_a [8.9274] _cell_length_b [9.1391] _cell_length_c [12.4992] _cel...

0.043

0.02

0.0335

0.0264

MP

PrBiO4

data_[Pr4Bi4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [5.6853] _cell_length_b [10.9834] _cell_length_c [5.7557] _ce...

0.549

0.019

0.2179

0.0254

MP

Li4Fe2OF8

data_[Li16Fe8O4F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [8.8422] _cell_length_b [5.1155]...

2.678

0.057

0.5215

0.0602

MP

KNa2(NiO2)2

data_[K4Na8Ni8O16] 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 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.8212] _cell_length_b [11.1...

1.058

0.029

0.3252

0.0354

MP

PdSe2

data_[Pd2Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pd 2.2000 1.4000 0.8462 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [20.1917] _cell_length_b [5.7512] _cell_length_c [5.8972] _cell_angle_alpha [90.0000] _cel...

1.377

0.055

0.3762

0.0585

MP

Na2B4O17

data_[Na8B16O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.6861] _cell_length_b [10.8349] _cell_length_c [13.5341] _c...

0.838

0.535

0.2838

0.3091

MP

Te2Mo2WSe4

data_[Te2Mo2W1Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.4032] _cell_length_b [3.40...

0.018

0.136

0.0168

0.1172

MP

LiFe2F5

data_[Li4Fe8F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.7495] _cell_length_b [5.3274] _cell_length_c [5.4699] _ce...

3.376

0.079

0.5765

0.0775

MP

LiMnPO4

data_[Li4Mn4P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [8.0113] _cell_length_b [4.9192...

3.423

0.049

0.5798

0.0535

MP

Sr(H8O5)2

data_[Sr2H32O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [6.3406] _cell_length_b [6.3426] _cell_length_c [11.1619] _cell_...

3.853

0.001

0.6086

0.0024

MP

YLuO3

data_[Y4Lu4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Lu 1.2700 1.7500 1.0010 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.8906] _cell_length_b [8.2185] _cell_length_c [5.6048] _cell_...

4.743

0.076

0.6599

0.0752

MP

Rb2EuF5

data_[Rb8Eu4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Eu 1.2000 1.8500 1.1985 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [11.7183] _cell_length_b [7.0200] _cell_length_c [7.7578] _...

0.063

0.0

0.0451

0.0

MP

LiMn2(PO4)3

data_[Li4Mn8P12O48] 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 [P2_1/c] _cell_length_a [8.2500] _cell_length_b [8.4...

1.101

0.017

0.3327

0.0232

MP

Na3FeH10C6O17

data_[Na24Fe8H80C48O136] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Fe 1.8300 1.4000 0.8525 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length...

2.63

0.072

0.5173

0.0722

MP

GdTl(MoO4)2

data_[Gd4Tl4Mo8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Tl 1.6200 1.9000 1.3325 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [5.1909] _cell_length_b [18.8...

2.936

0.0

0.5431

0.0

MP

ScCr2Ag(H2O5)2

data_[Sc1Cr2Ag1H4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cr 1.6600 1.4000 0.9400 Ag 1.9300 1.6000 1.0867 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 ...

1.768

0.0

0.4283

0.0

MP

NaMgN

data_[Na2Mg2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mg 1.3100 1.5000 0.8600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.5509] _cell_length_b [3.5509] _cell_length_c [8.8804] _ce...

0.0

0.196

0.0

0.1537

MP

C9F5

data_[C216F120] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [13.5319] _cell_length_b [23.5649] _cell_length_c [13.6982] _cell_angle_alpha [90.0000] _cel...

1.499

0.221

0.3935

0.1678

MP

SnPCl9

data_[Sn4P4Cl36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Cmme] _cell_length_a [12.5322] _cell_length_b [17.0440] _cell_length_c [6.7439] _c...

2.462

0.008

0.502

0.0128

MP

NaH

data_[Na4H4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [4.8271] _cell_length_b [4.8271] _cell_length_c [4.8271] _cell_angle_alpha [90.0000] _cell_an...

3.767

0.0

0.6031

0.0

MP

K2ScTlBr6

data_[K8Sc4Tl4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.6421] _cell_length_b [11...

3.06

0.027

0.5529

0.0335

MP

Li24Mn11CrO36

data_[Li24Mn11Cr1O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.0081] _cell_length_b [10.5...

1.249

0.007

0.3568

0.0115

MP

SrCa3Ti4O12

data_[Sr1Ca3Ti4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [5.4688] _cell_length_b [7.7622...

2.17

0.01

0.4733

0.0152

MP

Ba3In2(PO4)4

data_[Ba6In4P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 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 [9.0754] _cell_length_b [9.80...

3.725

0.0

0.6003

0.0

MP

MgVCrO4

data_[Mg4V4Cr4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [6.0123] _cell_length_b [6.0290...

1.858

0.0

0.439

0.0

MP

Li2MnFe(PO4)2

data_[Li8Mn4Fe4P8O32] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [...

3.812

0.002

0.606

0.0042

MP

SrCaI4

data_[Sr8Ca8I32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [15.3817] _cell_length_b [13.8732] _cell_length_c [13.0628] _...

3.167

0.095

0.5611

0.0893

MP

Rb2YGa(SiO3)4

data_[Rb16Y8Ga8Si32O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Y 1.2200 1.8000 1.0400 Ga 1.8100 1.3000 0.7600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length...

4.169

0.0

0.6279

0.0

MP

Na3V5O10

data_[Na6V10O20] 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 [P-1] _cell_length_a [5.2004] _cell_length_b [6.5777] _cell_length_c [13.3780] _cell...

0.936

0.027

0.303

0.0335

MP

KCdF3

data_[K4Cd4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cd 1.6900 1.5500 1.0900 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.2893] _cell_length_b [8.8018] _cell_length_c [6.1867] _cell_...

3.354

0.0

0.5749

0.0