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	Li3MgPCO7	data_[Li6Mg2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mg 1.3100 1.5000 0.8600 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [...	5.609	0.05	0.702	0.0544
MP	Li3SbCl6	data_[Li12Sb4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sb 2.0500 1.4500 0.8300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.2809] _cell_length_b [10.2809] _cell_length_c [10.280...	2.849	0.294	0.536	0.2058
MP	Sr5As5HO18	data_[Sr20As20H4O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.2685] _cell_length_b [7....	3.262	0.0	0.5682	0.0
MP	Li5Nb2Cu3O10	data_[Li5Nb2Cu3O10] 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 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.2691] _cell_length_b [5.779...	0.354	0.076	0.1624	0.0752
MP	MnF3	data_[Mn2F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [5.4034] _cell_length_b [5.5954] _cell_length_c [3.8714] _cell_angle_alpha [90.0000] _cell_ang...	0.332	0.006	0.1554	0.0101
MP	Mg(ReO4)2	data_[Mg1Re2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Re 1.9000 1.3500 0.7125 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [5.8200] _cell_length_b [5.8200] _cell_length_c [6.1471] _cell_...	3.95	0.013	0.6147	0.0188
MP	K2CuS(ClO2)2	data_[K8Cu4S4Cl8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [...	0.731	0.0	0.2612	0.0
MP	H14C3NF5	data_[H28C6N2F10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.6847] _cell_length_b [6.9085] _c...	7.336	0.068	0.7703	0.069
MP	AgCS2(O2F)3	data_[Ag4C4S8O24F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a ...	3.306	0.158	0.5714	0.1311
MP	TlPt2Se3	data_[Tl2Pt4Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Pt 2.2800 1.3500 0.8050 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [7.5732] _cell_length_b [7.5732] _cell_length_c [6.0083] _c...	0.462	0.0	0.1946	0.0
MP	LiMn3H6(SeO3)8	data_[Li3Mn9H18Se24O72] 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 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 [R-3] _cell_length_...	1.613	0.0	0.4088	0.0
MP	Tl2CuAsO4	data_[Tl4Cu2As2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 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_1] _cell_length_a [6.1670] _cell_length_b [5.488...	1.612	0.018	0.4086	0.0243
MP	Kr	data_[Kr2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Kr 3.0000 2.02 0.0000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.4204] _cell_length_b [4.4204] _cell_length_c [7.3603] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angl...	7.177	0.007	0.7647	0.0115
MP	Mo2C3S2(Cl5O)2	data_[Mo16C24S16Cl80O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_leng...	2.098	0.202	0.4658	0.1572
MP	Na3Cr2(AsO4)3	data_[Na24Cr16As24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cr 1.6600 1.4000 0.9400 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.3787] _cell_length_b ...	2.703	0.0	0.5237	0.0
MP	Li2Ca(SiN2)2	data_[Li24Ca12Si24N48] 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 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [10.6383] _cell_length_b [...	3.466	0.0	0.5828	0.0
MP	Li2MnCo3O8	data_[Li8Mn4Co12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.3973] _cell_length_b [5....	0.873	0.09	0.2908	0.0857
MP	Li7Mn4(P2O7)4	data_[Li14Mn8P16O56] 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 [9.8834] _cell_length_b [9.90...	0.302	0.015	0.1454	0.021
MP	SiO2	data_[Si4O8] 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 [P4_12_12] _cell_length_a [5.0847] _cell_length_b [5.0847] _cell_length_c [7.0986] _cell_angle_alpha [90.0000] _cell...	5.504	0.005	0.6973	0.0088
MP	Ba(HCl)2	data_[Ba4H8Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.1622] _cell_length_b [8.5960] _cell_length_c [10.7126] _c...	1.107	0.971	0.3337	0.4465
MP	Y3In2(GaO4)3	data_[Y24In16Ga24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 In 1.7800 1.5500 0.9400 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.7312] _cell_length_b [1...	2.719	0.0	0.5251	0.0
MP	ZnP2PbO7	data_[Zn4P8Pb4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 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 [5.4086] _cell_length_b [8.41...	4.225	0.0	0.6312	0.0
MP	Li3Mn2CoO6	data_[Li6Mn4Co2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [15.3994] _cell_length_b [2.8...	0.566	0.068	0.2223	0.069
MP	La(HO)3	data_[La8H24O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.8660] _cell_length_b [6.7743] _cell_length_c [15.3522] _...	4.458	0.064	0.6445	0.0659
MP	Si	data_[Si164] 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 [C2/c] _cell_length_a [25.4837] _cell_length_b [15.2209] _cell_length_c [9.9022] _cell_angle_alpha [90.0000] _cell_angle_beta [94.1322] _cell_an...	0.998	0.129	0.3145	0.1127
MP	U(H2O3)2	data_[U4H16O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.4808] _cell_length_b [8.8740] _cell_length_c [6.7174] _cell_a...	2.068	0.003	0.4626	0.0058
MP	Al5WN7	data_[Al40W8N56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [11.1789] _cell_length_b [21.1658] _cell_length_c [5.2509] _...	0.891	0.364	0.2943	0.2388
MP	MnZn(GaSe2)4	data_[Mn1Zn1Ga4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Zn 1.6500 1.3500 0.8800 Ga 1.8100 1.3000 0.7600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-4] _cell_length_a [5.6508] _cell_length_b [5.65...	0.904	0.001	0.2969	0.0024
MP	K2Cd(C2O5)2	data_[K16Cd8C32O80] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [15.1245] _cell_length_b [18.14...	0.439	0.613	0.1881	0.3374
MP	Nd5Ti4FeO17	data_[Nd20Ti16Fe4O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ti 1.5400 1.4000 0.8517 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.7445] _cell_length_b [...	1.785	0.007	0.4303	0.0115
MP	Cs3PdF5	data_[Cs6Pd2F10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Pd 2.2000 1.4000 0.8462 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [8.0383] _cell_length_b [8.0383] _cell_length_c [6.8001] _c...	2.083	0.0	0.4642	0.0
MP	Co3TeO8	data_[Co6Te2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.8961] _cell_length_b [6.0306] _cell_length_c [8.7084] _cell_...	0.401	0.102	0.1769	0.0943
MP	ThN3F7	data_[Th4N12F28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Th 1.3000 1.8000 1.0800 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [14.4888] _cell_length_b [6.7570] _cell_length_c [7.8386] _cel...	1.39	1.056	0.3781	0.4686
MP	Ni7Te6(ClO9)2	data_[Ni21Te18Cl6O54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 Te 2.1000 1.4000 1.2933 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [11.3005] _cell_length_b [11...	2.705	0.0	0.5239	0.0
MP	Ba6Lu2(WO6)3	data_[Ba18Lu6W9O54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Lu 1.2700 1.7500 1.0010 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.9246] _cell_length_b [5.924...	2.99	0.0	0.5474	0.0
MP	Sr3TbRhO6	data_[Sr18Tb6Rh6O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Tb 1.1000 1.7500 0.9815 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [9.8893] _cell_length_b [9.8...	2.114	0.0	0.4675	0.0
MP	CrCoO4	data_[Cr4Co4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Cmcm] _cell_length_a [5.5663] _cell_length_b [8.4210] _cell_length_c [6.3913] _cel...	0.506	0.0	0.2067	0.0
MP	MgH10SO9	data_[Mg2H20S2O18] 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 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 [6.1193] _cell_length_b [6.3237] ...	5.437	0.017	0.6942	0.0232
MP	LiCr(PO3)3	data_[Li4Cr4P12O36] 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 [Cc] _cell_length_a [11.5590] _cell_length_b [6.4370...	2.982	0.054	0.5468	0.0577
MP	RbBa2Fe2F9	data_[Rb3Ba6Fe6F27] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ba 0.8900 2.1500 1.4900 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.9922] _cell_length_b [5.992...	0.043	0.182	0.0335	0.1456
MP	Na6CuO4	data_[Na12Cu2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/nmc] _cell_length_a [7.5323] _cell_length_b [7.5323] _cell_length_c [5.3461] ...	0.309	0.102	0.1478	0.0943
MP	NaClO4	data_[Na4Cl4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.3801] _cell_length_b [7.3801] _cell_length_c [7.3801] _ce...	4.5	0.111	0.6469	0.1005
MP	Na2Sb5C2S2N2(OF3)3	data_[Na4Sb10C4S4N4O6F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sb 2.0500 1.4500 0.8300 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....	3.06	0.056	0.5529	0.0594
MP	LaNb3O9	data_[La4Nb12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [16.8718] _cell_length_b [5.6213] _cell_length_c [9.8041] _cel...	1.785	0.031	0.4303	0.0374
MP	Na2H2WO4	data_[Na16H16W8O32] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [8.6300] _cell_length_b [10.607...	2.098	0.661	0.4658	0.3539
MP	P7Pb	data_[P28Pb4] 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 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.8182] _cell_length_b [6.9134] _cell_length_c [12.6451] _cell_angle_alpha [90.0000] _cell...	0.877	0.0	0.2916	0.0
MP	NaNd(PO3)4	data_[Na4Nd4P16O48] 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 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 [7.3185] _cell_length_b [13....	5.803	0.0	0.7106	0.0
MP	BaGeO3	data_[Ba4Ge4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [4.6820] _cell_length_b [5.8161] _cell_length_c [13.103...	3.552	0.0	0.5888	0.0
MP	TiPbO3	data_[Ti1Pb1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.9690] _cell_length_b [3.9690] _cell_length_c [3.9690] _cel...	1.585	0.041	0.4051	0.0465
MP	Na4Sc2Si4O13	data_[Na16Sc8Si16O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sc 1.3600 1.6000 0.8850 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [14.3660] _cell_length_b ...	4.818	0.0	0.6639	0.0
MP	AlTlF4	data_[Al4Tl4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Tl 1.6200 1.9000 1.3325 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [5.2060] _cell_length_b [5.2060] _cell_length_c [12.9772] _...	4.24	0.003	0.6321	0.0058
MP	Sn(NO3)4	data_[Sn4N16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.0701] _cell_length_b [14.3004] _cell_length_c [10.6969] _...	3.627	0.0	0.5938	0.0
MP	SrTe3O8	data_[Sr2Te6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/m] _cell_length_a [6.9643] _cell_length_b [6.9643] _cell_length_c [6.8582] _c...	2.187	0.005	0.4751	0.0088
MP	LuTlSe2	data_[Lu3Tl3Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Tl 1.6200 1.9000 1.3325 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.1141] _cell_length_b [4.1141] _cell_length_c [23.3117] _c...	1.213	0.0	0.3511	0.0
MP	Mg14AlCO16	data_[Mg14Al1C1O16] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmmm] _cell_length_a [4.2025] _cell_length_b [8.428...	0.417	0.25	0.1817	0.1834
MP	V2FeO6	data_[V4Fe2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.9343] _cell_length_b [6.8314] _cell_length_c [6.9354] _cell_a...	1.923	0.033	0.4465	0.0392
MP	Ba(H2O3)2	data_[Ba2H8O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.1217] _cell_length_b [6.1813] _cell_length_c [6.6326] _cell_an...	2.86	0.061	0.5369	0.0635
MP	RbO3	data_[Rb4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.6562] _cell_length_b [6.1761] _cell_length_c [9.0179] _cell_angle_alpha [90.0000] _cell_...	0.899	0.083	0.2959	0.0805
MP	Li3MnF6	data_[Li12Mn4F24] 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 [Cc] _cell_length_a [5.0996] _cell_length_b [8.9510] _cell_length_c [9.6467] _cell...	1.609	0.037	0.4082	0.0429
MP	CsTbCdSe3	data_[Cs4Tb4Cd4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Tb 1.1000 1.7500 0.9815 Cd 1.6900 1.5500 1.0900 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.3204] _cell_length_b [16...	2.065	0.0	0.4622	0.0
MP	NdPH5CO7	data_[Nd2P2H10C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 P 2.1900 1.0000 0.5500 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 [6....	3.731	0.112	0.6007	0.1012
MP	CsCuBr3	data_[Cs8Cu8Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cu 1.9000 1.3500 0.8200 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C222_1] _cell_length_a [7.8387] _cell_length_b [12.9971] _cell_length_c [13.0597...	0.374	0.0	0.1687	0.0
MP	CsMoP2HO9	data_[Cs4Mo4P8H4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a...	3.236	0.0	0.5663	0.0
MP	BeCrO4	data_[Be4Cr4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [4.9110] _cell_length_b [8.3287] _cell_length_c [8.5683] _c...	2.47	0.012	0.5028	0.0176
MP	NaCoBP2H4O11	data_[Na6Co6B6P12H24O66] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Co 1.8800 1.3500 0.7683 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_...	0.121	0.151	0.0744	0.1268
MP	Li3Y2(BO3)3	data_[Li12Y8B12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Y 1.2200 1.8000 1.0400 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 [5.6726] _cell_length_b [14.0...	4.792	0.039	0.6625	0.0447
MP	FeSO8	data_[Fe4S4O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 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 [6.6687] _cell_length_b [8.8535] _cell_length_c [11.6373] _cell_...	0.083	0.486	0.0558	0.2903
MP	K2Ca(NO2)4	data_[K4Ca2N8O16] 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 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 [9.0933] _cell_length_b [6.0865] ...	2.439	0.267	0.4999	0.1922
MP	CsZn2P2HO8	data_[Cs4Zn8P8H4O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Zn 1.6500 1.3500 0.8800 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 [Cmce] _cell_length_a [...	3.966	0.0	0.6157	0.0
MP	Na7Cr3Co(PO4)6	data_[Na14Cr6Co2P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cr 1.6600 1.4000 0.9400 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...	2.052	0.01	0.4608	0.0152
MP	NaVPO4F	data_[Na8V8P8O32F8] 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 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 [Pna2_1] _cell_length_a [...	2.079	0.007	0.4637	0.0115
MP	Al(ClO2)3	data_[Al6Cl18O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [11.2229] _cell_length_b [11.2229] _cell_length_c [8.7725] _...	2.505	0.186	0.506	0.1479
MP	Nd3Er(WO4)6	data_[Nd3Er1W6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Er 1.2400 1.7500 1.0300 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.0390] _cell_length_b [7.0522] ...	4.02	0.036	0.619	0.042
MP	BaF3	data_[Ba2F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [4.6749] _cell_length_b [4.4428] _cell_length_c [6.9936] _cell_angle_alpha [90.0000] _cell_a...	0.79	0.0	0.2739	0.0
MP	Pr4S3NCl3	data_[Pr8S6N2Cl6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [9.4371] _cell_length_b [9.437...	3.031	0.0	0.5507	0.0
MP	Li3Mn2(PO4)3	data_[Li12Mn8P12O48] 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/c] _cell_length_a [8.6750] _cell_length_b [8.71...	0.817	0.048	0.2795	0.0526
MP	Ca(Al3Te5)2	data_[Ca2Al12Te20] 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 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.8697] _cell_length_b [10.7976] _cell_length_c [11.6318] _...	0.884	0.211	0.293	0.1623
MP	Li2MnF6	data_[Li2Mn1F6] 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-3m1] _cell_length_a [5.7396] _cell_length_b [5.7396] _cell_length_c [4.8600] _cel...	2.999	0.083	0.5481	0.0805
MP	LaGeBO5	data_[La3Ge3B3O15] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ge 2.0100 1.2500 0.7700 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3_1] _cell_length_a [7.0652] _cell_length_b [7.0652...	4.031	0.006	0.6197	0.0101
MP	VO2F	data_[V4O8F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1625] _cell_length_b [5.2403] _cell_length_c [9.0938] _cell_angle...	1.467	0.029	0.3891	0.0354
MP	Li3MnV(PO4)3	data_[Li12Mn4V4P12O48] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...	0.334	0.057	0.156	0.0602
MP	Bi19(O9F)3	data_[Bi38O54F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [13.0840] _cell_length_b [13.0840] _cell_length_c [10.4640] _c...	2.01	0.042	0.4563	0.0474
MP	Li2Co4OF8	data_[Li4Co8O2F16] 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 [6.8556] _cell_length_b [7.8145]...	2.753	0.093	0.528	0.0879
MP	SrO4	data_[Sr1O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [9.4873] _cell_length_b [9.4873] _cell_length_c [11.4913] _cell_angle_alpha [90.0000] _cell_...	0.3	0.883	0.1447	0.4223
MP	Li3Ti2CoO6	data_[Li6Ti4Co2O12] 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 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.9661] _cell_length_b [2.9...	0.295	0.097	0.143	0.0907
MP	Li2FeF4	data_[Li4Fe2F8] 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 [P2_1] _cell_length_a [5.6327] _cell_length_b [5.3727] _cell_length_c [5.8671] _cell...	3.829	0.029	0.607	0.0354
MP	Li2MnP2O7	data_[Li4Mn2P4O14] 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-42_1m] _cell_length_a [7.8340] _cell_length_b [7.8...	4.208	0.079	0.6302	0.0775
MP	Li2Fe(Si2O5)2	data_[Li8Fe4Si16O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [7.1480] _cell_length_...	3.426	0.078	0.58	0.0768
MP	BaNb2Fe2O9	data_[Ba4Nb8Fe8O36] 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 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fmm2] _cell_length_a [5.6219] _cell_length_b [26.4...	1.084	0.101	0.3297	0.0936
MP	Al2ZnSe4	data_[Al16Zn8Se32] 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 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.6971] _cell_length_b [10.6971] _cell_length_c [10.697...	1.379	0.031	0.3765	0.0374
MP	K6Na3AlSb4	data_[K12Na6Al2Sb8] 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 Al 1.6100 1.2500 0.6750 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [10.2918] _cell_length_b ...	0.74	0.0	0.2632	0.0
MP	PrBN2	data_[Pr18B18N36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 B 2.0400 0.8500 0.4100 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [12.2348] _cell_length_b [12.2348] _cell_length_c [7.0708] _c...	2.106	0.0	0.4666	0.0
MP	KIn(PO4)2	data_[K4In4P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 In 1.7800 1.5500 0.9400 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 [9.7820] _cell_length_b [8.5704...	0.289	0.134	0.141	0.1159
MP	V3(O2F)2	data_[V12O16F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [3.0654] _cell_length_b [6.5648] _cell_length_c [19.8768] _cell_...	0.502	0.101	0.2056	0.0936
MP	Sm4S3N2	data_[Sm8S6N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.2879] _cell_length_b [3.9371] _cell_length_c [10.1639] _cell...	1.337	0.0	0.3703	0.0
MP	Na3LuSi2O7	data_[Na18Lu6Si12O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Lu 1.2700 1.7500 1.0010 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [9.4292] _cell_length_b [...	3.946	0.0	0.6144	0.0
MP	LiSnN	data_[Li2Sn2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2767] _cell_length_b [3.2767] _cell_length_c [10.0457] _c...	1.162	0.024	0.3429	0.0305
MP	Sr2Ni(PO4)2	data_[Sr12Ni6P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ni 1.9100 1.3500 0.7400 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 [11.8046] _cell_length_b [1...	4.233	0.0	0.6317	0.0
MP	NdTl(PO3)4	data_[Nd4Tl4P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Tl 1.6200 1.9000 1.3325 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 [10.6162] _cell_length_b [9....	5.263	0.0	0.686	0.0
MP	Li2Cu2Si2O7	data_[Li8Cu8Si8O28] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.4935] _cell_length_b [13...	0.186	0.134	0.1026	0.1159

MP

Li3MgPCO7

data_[Li6Mg2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mg 1.3100 1.5000 0.8600 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [...

5.609

0.05

0.702

0.0544

MP

Li3SbCl6

data_[Li12Sb4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sb 2.0500 1.4500 0.8300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.2809] _cell_length_b [10.2809] _cell_length_c [10.280...

2.849

0.294

0.536

0.2058

MP

Sr5As5HO18

data_[Sr20As20H4O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.2685] _cell_length_b [7....

3.262

0.0

0.5682

0.0

MP

Li5Nb2Cu3O10

data_[Li5Nb2Cu3O10] 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 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.2691] _cell_length_b [5.779...

0.354

0.076

0.1624

0.0752

MP

MnF3

data_[Mn2F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [5.4034] _cell_length_b [5.5954] _cell_length_c [3.8714] _cell_angle_alpha [90.0000] _cell_ang...

0.332

0.006

0.1554

0.0101

MP

Mg(ReO4)2

data_[Mg1Re2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Re 1.9000 1.3500 0.7125 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [5.8200] _cell_length_b [5.8200] _cell_length_c [6.1471] _cell_...

3.95

0.013

0.6147

0.0188

MP

K2CuS(ClO2)2

data_[K8Cu4S4Cl8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [...

0.731

0.0

0.2612

0.0

MP

H14C3NF5

data_[H28C6N2F10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.6847] _cell_length_b [6.9085] _c...

7.336

0.068

0.7703

0.069

MP

AgCS2(O2F)3

data_[Ag4C4S8O24F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a ...

3.306

0.158

0.5714

0.1311

MP

TlPt2Se3

data_[Tl2Pt4Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Pt 2.2800 1.3500 0.8050 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [7.5732] _cell_length_b [7.5732] _cell_length_c [6.0083] _c...

0.462

0.0

0.1946

0.0

MP

LiMn3H6(SeO3)8

data_[Li3Mn9H18Se24O72] 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 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 [R-3] _cell_length_...

1.613

0.0

0.4088

0.0

MP

Tl2CuAsO4

data_[Tl4Cu2As2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 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_1] _cell_length_a [6.1670] _cell_length_b [5.488...

1.612

0.018

0.4086

0.0243

MP

Kr

data_[Kr2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Kr 3.0000 2.02 0.0000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.4204] _cell_length_b [4.4204] _cell_length_c [7.3603] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angl...

7.177

0.007

0.7647

0.0115

MP

Mo2C3S2(Cl5O)2

data_[Mo16C24S16Cl80O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_leng...

2.098

0.202

0.4658

0.1572

MP

Na3Cr2(AsO4)3

data_[Na24Cr16As24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cr 1.6600 1.4000 0.9400 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.3787] _cell_length_b ...

2.703

0.0

0.5237

0.0

MP

Li2Ca(SiN2)2

data_[Li24Ca12Si24N48] 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 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [10.6383] _cell_length_b [...

3.466

0.0

0.5828

0.0

MP

Li2MnCo3O8

data_[Li8Mn4Co12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.3973] _cell_length_b [5....

0.873

0.09

0.2908

0.0857

MP

Li7Mn4(P2O7)4

data_[Li14Mn8P16O56] 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 [9.8834] _cell_length_b [9.90...

0.302

0.015

0.1454

0.021

MP

SiO2

data_[Si4O8] 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 [P4_12_12] _cell_length_a [5.0847] _cell_length_b [5.0847] _cell_length_c [7.0986] _cell_angle_alpha [90.0000] _cell...

5.504

0.005

0.6973

0.0088

MP

Ba(HCl)2

data_[Ba4H8Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.1622] _cell_length_b [8.5960] _cell_length_c [10.7126] _c...

1.107

0.971

0.3337

0.4465

MP

Y3In2(GaO4)3

data_[Y24In16Ga24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 In 1.7800 1.5500 0.9400 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.7312] _cell_length_b [1...

2.719

0.0

0.5251

0.0

MP

ZnP2PbO7

data_[Zn4P8Pb4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 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 [5.4086] _cell_length_b [8.41...

4.225

0.0

0.6312

0.0

MP

Li3Mn2CoO6

data_[Li6Mn4Co2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [15.3994] _cell_length_b [2.8...

0.566

0.068

0.2223

0.069

MP

La(HO)3

data_[La8H24O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.8660] _cell_length_b [6.7743] _cell_length_c [15.3522] _...

4.458

0.064

0.6445

0.0659

MP

Si

data_[Si164] 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 [C2/c] _cell_length_a [25.4837] _cell_length_b [15.2209] _cell_length_c [9.9022] _cell_angle_alpha [90.0000] _cell_angle_beta [94.1322] _cell_an...

0.998

0.129

0.3145

0.1127

MP

U(H2O3)2

data_[U4H16O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.4808] _cell_length_b [8.8740] _cell_length_c [6.7174] _cell_a...

2.068

0.003

0.4626

0.0058

MP

Al5WN7

data_[Al40W8N56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [11.1789] _cell_length_b [21.1658] _cell_length_c [5.2509] _...

0.891

0.364

0.2943

0.2388

MP

MnZn(GaSe2)4

data_[Mn1Zn1Ga4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Zn 1.6500 1.3500 0.8800 Ga 1.8100 1.3000 0.7600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-4] _cell_length_a [5.6508] _cell_length_b [5.65...

0.904

0.001

0.2969

0.0024

MP

K2Cd(C2O5)2

data_[K16Cd8C32O80] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [15.1245] _cell_length_b [18.14...

0.439

0.613

0.1881

0.3374

MP

Nd5Ti4FeO17

data_[Nd20Ti16Fe4O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ti 1.5400 1.4000 0.8517 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.7445] _cell_length_b [...

1.785

0.007

0.4303

0.0115

MP

Cs3PdF5

data_[Cs6Pd2F10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Pd 2.2000 1.4000 0.8462 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [8.0383] _cell_length_b [8.0383] _cell_length_c [6.8001] _c...

2.083

0.0

0.4642

0.0

MP

Co3TeO8

data_[Co6Te2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.8961] _cell_length_b [6.0306] _cell_length_c [8.7084] _cell_...

0.401

0.102

0.1769

0.0943

MP

ThN3F7

data_[Th4N12F28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Th 1.3000 1.8000 1.0800 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [14.4888] _cell_length_b [6.7570] _cell_length_c [7.8386] _cel...

1.39

1.056

0.3781

0.4686

MP

Ni7Te6(ClO9)2

data_[Ni21Te18Cl6O54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 Te 2.1000 1.4000 1.2933 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [11.3005] _cell_length_b [11...

2.705

0.0

0.5239

0.0

MP

Ba6Lu2(WO6)3

data_[Ba18Lu6W9O54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Lu 1.2700 1.7500 1.0010 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.9246] _cell_length_b [5.924...

2.99

0.0

0.5474

0.0

MP

Sr3TbRhO6

data_[Sr18Tb6Rh6O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Tb 1.1000 1.7500 0.9815 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [9.8893] _cell_length_b [9.8...

2.114

0.0

0.4675

0.0

MP

CrCoO4

data_[Cr4Co4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Cmcm] _cell_length_a [5.5663] _cell_length_b [8.4210] _cell_length_c [6.3913] _cel...

0.506

0.0

0.2067

0.0

MP

MgH10SO9

data_[Mg2H20S2O18] 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 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 [6.1193] _cell_length_b [6.3237] ...

5.437

0.017

0.6942

0.0232

MP

LiCr(PO3)3

data_[Li4Cr4P12O36] 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 [Cc] _cell_length_a [11.5590] _cell_length_b [6.4370...

2.982

0.054

0.5468

0.0577

MP

RbBa2Fe2F9

data_[Rb3Ba6Fe6F27] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ba 0.8900 2.1500 1.4900 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.9922] _cell_length_b [5.992...

0.043

0.182

0.0335

0.1456

MP

Na6CuO4

data_[Na12Cu2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/nmc] _cell_length_a [7.5323] _cell_length_b [7.5323] _cell_length_c [5.3461] ...

0.309

0.102

0.1478

0.0943

MP

NaClO4

data_[Na4Cl4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.3801] _cell_length_b [7.3801] _cell_length_c [7.3801] _ce...

4.5

0.111

0.6469

0.1005

MP

Na2Sb5C2S2N2(OF3)3

data_[Na4Sb10C4S4N4O6F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sb 2.0500 1.4500 0.8300 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....

3.06

0.056

0.5529

0.0594

MP

LaNb3O9

data_[La4Nb12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [16.8718] _cell_length_b [5.6213] _cell_length_c [9.8041] _cel...

1.785

0.031

0.4303

0.0374

MP

Na2H2WO4

data_[Na16H16W8O32] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [8.6300] _cell_length_b [10.607...

2.098

0.661

0.4658

0.3539

MP

P7Pb

data_[P28Pb4] 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 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.8182] _cell_length_b [6.9134] _cell_length_c [12.6451] _cell_angle_alpha [90.0000] _cell...

0.877

0.0

0.2916

0.0

MP

NaNd(PO3)4

data_[Na4Nd4P16O48] 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 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 [7.3185] _cell_length_b [13....

5.803

0.0

0.7106

0.0

MP

BaGeO3

data_[Ba4Ge4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [4.6820] _cell_length_b [5.8161] _cell_length_c [13.103...

3.552

0.0

0.5888

0.0

MP

TiPbO3

data_[Ti1Pb1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.9690] _cell_length_b [3.9690] _cell_length_c [3.9690] _cel...

1.585

0.041

0.4051

0.0465

MP

Na4Sc2Si4O13

data_[Na16Sc8Si16O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sc 1.3600 1.6000 0.8850 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [14.3660] _cell_length_b ...

4.818

0.0

0.6639

0.0

MP

AlTlF4

data_[Al4Tl4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Tl 1.6200 1.9000 1.3325 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [5.2060] _cell_length_b [5.2060] _cell_length_c [12.9772] _...

4.24

0.003

0.6321

0.0058

MP

Sn(NO3)4

data_[Sn4N16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.0701] _cell_length_b [14.3004] _cell_length_c [10.6969] _...

3.627

0.0

0.5938

0.0

MP

SrTe3O8

data_[Sr2Te6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/m] _cell_length_a [6.9643] _cell_length_b [6.9643] _cell_length_c [6.8582] _c...

2.187

0.005

0.4751

0.0088

MP

LuTlSe2

data_[Lu3Tl3Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Tl 1.6200 1.9000 1.3325 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.1141] _cell_length_b [4.1141] _cell_length_c [23.3117] _c...

1.213

0.0

0.3511

0.0

MP

Mg14AlCO16

data_[Mg14Al1C1O16] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmmm] _cell_length_a [4.2025] _cell_length_b [8.428...

0.417

0.25

0.1817

0.1834

MP

V2FeO6

data_[V4Fe2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.9343] _cell_length_b [6.8314] _cell_length_c [6.9354] _cell_a...

1.923

0.033

0.4465

0.0392

MP

Ba(H2O3)2

data_[Ba2H8O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.1217] _cell_length_b [6.1813] _cell_length_c [6.6326] _cell_an...

2.86

0.061

0.5369

0.0635

MP

RbO3

data_[Rb4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.6562] _cell_length_b [6.1761] _cell_length_c [9.0179] _cell_angle_alpha [90.0000] _cell_...

0.899

0.083

0.2959

0.0805

MP

Li3MnF6

data_[Li12Mn4F24] 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 [Cc] _cell_length_a [5.0996] _cell_length_b [8.9510] _cell_length_c [9.6467] _cell...

1.609

0.037

0.4082

0.0429

MP

CsTbCdSe3

data_[Cs4Tb4Cd4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Tb 1.1000 1.7500 0.9815 Cd 1.6900 1.5500 1.0900 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.3204] _cell_length_b [16...

2.065

0.0

0.4622

0.0

MP

NdPH5CO7

data_[Nd2P2H10C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 P 2.1900 1.0000 0.5500 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 [6....

3.731

0.112

0.6007

0.1012

MP

CsCuBr3

data_[Cs8Cu8Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cu 1.9000 1.3500 0.8200 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C222_1] _cell_length_a [7.8387] _cell_length_b [12.9971] _cell_length_c [13.0597...

0.374

0.0

0.1687

0.0

MP

CsMoP2HO9

data_[Cs4Mo4P8H4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a...

3.236

0.0

0.5663

0.0

MP

BeCrO4

data_[Be4Cr4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [4.9110] _cell_length_b [8.3287] _cell_length_c [8.5683] _c...

2.47

0.012

0.5028

0.0176

MP

NaCoBP2H4O11

data_[Na6Co6B6P12H24O66] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Co 1.8800 1.3500 0.7683 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_...

0.121

0.151

0.0744

0.1268

MP

Li3Y2(BO3)3

data_[Li12Y8B12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Y 1.2200 1.8000 1.0400 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 [5.6726] _cell_length_b [14.0...

4.792

0.039

0.6625

0.0447

MP

FeSO8

data_[Fe4S4O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 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 [6.6687] _cell_length_b [8.8535] _cell_length_c [11.6373] _cell_...

0.083

0.486

0.0558

0.2903

MP

K2Ca(NO2)4

data_[K4Ca2N8O16] 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 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 [9.0933] _cell_length_b [6.0865] ...

2.439

0.267

0.4999

0.1922

MP

CsZn2P2HO8

data_[Cs4Zn8P8H4O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Zn 1.6500 1.3500 0.8800 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 [Cmce] _cell_length_a [...

3.966

0.0

0.6157

0.0

MP

Na7Cr3Co(PO4)6

data_[Na14Cr6Co2P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cr 1.6600 1.4000 0.9400 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...

2.052

0.01

0.4608

0.0152

MP

NaVPO4F

data_[Na8V8P8O32F8] 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 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 [Pna2_1] _cell_length_a [...

2.079

0.007

0.4637

0.0115

MP

Al(ClO2)3

data_[Al6Cl18O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [11.2229] _cell_length_b [11.2229] _cell_length_c [8.7725] _...

2.505

0.186

0.506

0.1479

MP

Nd3Er(WO4)6

data_[Nd3Er1W6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Er 1.2400 1.7500 1.0300 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.0390] _cell_length_b [7.0522] ...

4.02

0.036

0.619

0.042

MP

BaF3

data_[Ba2F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [4.6749] _cell_length_b [4.4428] _cell_length_c [6.9936] _cell_angle_alpha [90.0000] _cell_a...

0.79

0.0

0.2739

0.0

MP

Pr4S3NCl3

data_[Pr8S6N2Cl6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [9.4371] _cell_length_b [9.437...

3.031

0.0

0.5507

0.0

MP

Li3Mn2(PO4)3

data_[Li12Mn8P12O48] 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/c] _cell_length_a [8.6750] _cell_length_b [8.71...

0.817

0.048

0.2795

0.0526

MP

Ca(Al3Te5)2

data_[Ca2Al12Te20] 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 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.8697] _cell_length_b [10.7976] _cell_length_c [11.6318] _...

0.884

0.211

0.293

0.1623

MP

Li2MnF6

data_[Li2Mn1F6] 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-3m1] _cell_length_a [5.7396] _cell_length_b [5.7396] _cell_length_c [4.8600] _cel...

2.999

0.083

0.5481

0.0805

MP

LaGeBO5

data_[La3Ge3B3O15] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ge 2.0100 1.2500 0.7700 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3_1] _cell_length_a [7.0652] _cell_length_b [7.0652...

4.031

0.006

0.6197

0.0101

MP

VO2F

data_[V4O8F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1625] _cell_length_b [5.2403] _cell_length_c [9.0938] _cell_angle...

1.467

0.029

0.3891

0.0354

MP

Li3MnV(PO4)3

data_[Li12Mn4V4P12O48] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...

0.334

0.057

0.156

0.0602

MP

Bi19(O9F)3

data_[Bi38O54F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [13.0840] _cell_length_b [13.0840] _cell_length_c [10.4640] _c...

2.01

0.042

0.4563

0.0474

MP

Li2Co4OF8

data_[Li4Co8O2F16] 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 [6.8556] _cell_length_b [7.8145]...

2.753

0.093

0.528

0.0879

MP

SrO4

data_[Sr1O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [9.4873] _cell_length_b [9.4873] _cell_length_c [11.4913] _cell_angle_alpha [90.0000] _cell_...

0.3

0.883

0.1447

0.4223

MP

Li3Ti2CoO6

data_[Li6Ti4Co2O12] 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 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.9661] _cell_length_b [2.9...

0.295

0.097

0.143

0.0907

MP

Li2FeF4

data_[Li4Fe2F8] 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 [P2_1] _cell_length_a [5.6327] _cell_length_b [5.3727] _cell_length_c [5.8671] _cell...

3.829

0.029

0.607

0.0354

MP

Li2MnP2O7

data_[Li4Mn2P4O14] 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-42_1m] _cell_length_a [7.8340] _cell_length_b [7.8...

4.208

0.079

0.6302

0.0775

MP

Li2Fe(Si2O5)2

data_[Li8Fe4Si16O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [7.1480] _cell_length_...

3.426

0.078

0.58

0.0768

MP

BaNb2Fe2O9

data_[Ba4Nb8Fe8O36] 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 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fmm2] _cell_length_a [5.6219] _cell_length_b [26.4...

1.084

0.101

0.3297

0.0936

MP

Al2ZnSe4

data_[Al16Zn8Se32] 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 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.6971] _cell_length_b [10.6971] _cell_length_c [10.697...

1.379

0.031

0.3765

0.0374

MP

K6Na3AlSb4

data_[K12Na6Al2Sb8] 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 Al 1.6100 1.2500 0.6750 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [10.2918] _cell_length_b ...

0.74

0.0

0.2632

0.0

MP

PrBN2

data_[Pr18B18N36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 B 2.0400 0.8500 0.4100 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [12.2348] _cell_length_b [12.2348] _cell_length_c [7.0708] _c...

2.106

0.0

0.4666

0.0

MP

KIn(PO4)2

data_[K4In4P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 In 1.7800 1.5500 0.9400 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 [9.7820] _cell_length_b [8.5704...

0.289

0.134

0.141

0.1159

MP

V3(O2F)2

data_[V12O16F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [3.0654] _cell_length_b [6.5648] _cell_length_c [19.8768] _cell_...

0.502

0.101

0.2056

0.0936

MP

Sm4S3N2

data_[Sm8S6N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.2879] _cell_length_b [3.9371] _cell_length_c [10.1639] _cell...

1.337

0.0

0.3703

0.0

MP

Na3LuSi2O7

data_[Na18Lu6Si12O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Lu 1.2700 1.7500 1.0010 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [9.4292] _cell_length_b [...

3.946

0.0

0.6144

0.0

MP

LiSnN

data_[Li2Sn2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.2767] _cell_length_b [3.2767] _cell_length_c [10.0457] _c...

1.162

0.024

0.3429

0.0305

MP

Sr2Ni(PO4)2

data_[Sr12Ni6P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ni 1.9100 1.3500 0.7400 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 [11.8046] _cell_length_b [1...

4.233

0.0

0.6317

0.0

MP

NdTl(PO3)4

data_[Nd4Tl4P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Tl 1.6200 1.9000 1.3325 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 [10.6162] _cell_length_b [9....

5.263

0.0

0.686

0.0

MP

Li2Cu2Si2O7

data_[Li8Cu8Si8O28] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.4935] _cell_length_b [13...

0.186

0.134

0.1026

0.1159