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	Li6NCl3	data_[Li12N2Cl6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [6.4750] _cell_length_b [3.7431] _cell_length_c [13.5289] _cell...	1.387	0.034	0.3777	0.0402
MP	K3B6BrO10	data_[K9B18Br3O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 B 2.0400 0.8500 0.4100 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [10.2159] _cell_length_b [10.2159...	5.212	0.0	0.6835	0.0
MP	Ta2Mn(P2O7)3	data_[Ta4Mn2P12O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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 [6.6670] _cell_length_b [8.0...	2.082	0.0	0.4641	0.0
MP	Bi2PbS4	data_[Bi8Pb4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [11.8954] _cell_length_b [4.1329] _cell_length_c [14.6864] _c...	1.08	0.006	0.329	0.0101
MP	Na2MgGeO4	data_[Na4Mg2Ge2O8] 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 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [5.4232] _cell_length_b [5.6925]...	3.268	0.0	0.5687	0.0
MP	FeHO2	data_[Fe4H4O8] 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 [P1] _cell_length_a [3.0933] _cell_length_b [7.4078] _cell_length_c [7.8795] _cell_ang...	1.401	0.121	0.3797	0.1073
MP	Eu2Hf2(MoO4)7	data_[Eu8Hf8Mo28O112] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Hf 1.3000 1.5500 0.8500 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 [21.2589] _cell_length_b [1...	0.359	0.0	0.164	0.0
MP	K3Sb5O14	data_[K12Sb20O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [7.2765] _cell_length_b [24.6918] _cell_length_c [7.4581] _ce...	1.352	0.018	0.3725	0.0243
MP	Nd2S3O17	data_[Nd8S12O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [15.9684] _cell_length_b [10.1900] _cell_length_c [10.1895] _cel...	0.819	0.683	0.2799	0.3612
MP	Dy2CI3	data_[Dy16C8I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 C 2.5500 0.7000 0.3000 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.5106] _cell_length_b [13.8164] _cell_length_c [16.8397] _...	0.552	0.0	0.2187	0.0
MP	LiVSiO4	data_[Li18V18Si18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [13.9862] _cell_length_b [13....	1.902	0.087	0.4441	0.0835
MP	KMnP3HO10	data_[K2Mn2P6H2O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.2...	1.109	0.001	0.334	0.0024
MP	BaBi12Mo4WO34	data_[Ba2Bi24Mo8W2O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Bi 2.0200 1.6000 1.0350 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_...	3.348	0.018	0.5745	0.0243
MP	Ba3LiTi5(SbO7)3	data_[Ba6Li2Ti10Sb6O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_...	2.328	0.035	0.4892	0.0411
MP	Li15V6(P8O29)2	data_[Li15V6P16O58] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.8468] _cell_length_b [9.8507] ...	1.074	0.015	0.328	0.021
MP	CsMn(PO3)4	data_[Cs2Mn2P8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 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 [5.3333] _cell_length_b [13.844...	0.943	0.0	0.3043	0.0
MP	Cs2W(OF2)2	data_[Cs4W2O4F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.0626] _cell_length_b [6.4404] ...	3.177	0.0	0.5619	0.0
MP	Dy3CuGeSe7	data_[Dy6Cu2Ge2Se14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Cu 1.9000 1.3500 0.8200 Ge 2.0100 1.2500 0.7700 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.3329] _cell_length_b [1...	1.128	0.0	0.3372	0.0
MP	LaAgO2	data_[La3Ag3O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.8366] _cell_length_b [3.8366] _cell_length_c [18.6928] _cel...	2.827	0.0	0.5342	0.0
MP	KHg5Cl11	data_[K2Hg10Cl22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Hg 2.0000 1.5000 1.2450 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.3783] _cell_length_b [14.8217] _cell_length_c [6.6551] _...	2.648	0.0	0.5189	0.0
MP	Nd2NiO4	data_[Nd4Ni2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.9599] _cell_length_b [4.0652] _cell_length_c [12.1930] _cel...	0.672	0.116	0.2479	0.104
MP	Li2Fe3O3F5	data_[Li4Fe6O6F10] 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 [Cm] _cell_length_a [10.4217] _cell_length_b [5.9431]...	2.006	0.11	0.4558	0.0999
MP	KSi	data_[K32Si32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [I4_1/acd] _cell_length_a [10.6093] _cell_length_b [10.6093] _cell_length_c [17.2551] _cell_angle_alpha [90.0000] ...	1.581	0.015	0.4046	0.021
MP	S5N2O2F	data_[S40N16O16F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.2295] _cell_length_b [10.8600...	1.06	0.238	0.3256	0.177
MP	AgClO3	data_[Ag8Cl8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [8.6725] _cell_length_b [8.6725] _cell_length_c [8.1652] _cel...	2.398	0.038	0.496	0.0438
MP	Ba9Fe4S15	data_[Ba36Fe16S60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Fe 1.8300 1.4000 0.8525 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [25.3901] _cell_length_b [9.6343] _cell_length_c [12.7192] ...	0.038	0.055	0.0304	0.0585
MP	LaFeO3	data_[La4Fe4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.6619] _cell_length_b [7.9447] _cell_length_c [5.6008] _cel...	1.433	0.028	0.3843	0.0345
MP	KSnAs	data_[K2Sn2As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sn 1.9600 1.4500 0.8300 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [4.1803] _cell_length_b [4.1803] _cell_length_c [12.9615] _c...	0.335	0.0	0.1564	0.0
MP	YScO3	data_[Y6Sc6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Sc 1.3600 1.6000 0.8850 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3cm] _cell_length_a [6.2172] _cell_length_b [6.2172] _cell_length_c [12.2996] _ce...	3.139	0.02	0.559	0.0264
MP	InSe	data_[In4Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.7027] _cell_length_b [4.1449] _cell_length_c [5.2306] _cell_angle_alpha [90.0000] _cell_...	1.08	0.037	0.329	0.0429
MP	Ca5MnO6	data_[Ca10Mn2O12] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [17.5111] _cell_length_b [3.3816] _cell_length_c [5.8510] _c...	2.968	0.023	0.5457	0.0295
MP	Li2FePCO7	data_[Li4Fe2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a...	2.475	0.019	0.5032	0.0254
MP	DyI6	data_[Dy2I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [14.2379] _cell_length_b [17.5503] _cell_length_c [54.6850] _cell_angle_alpha [90.0000] _cell...	0.134	0.529	0.0804	0.3069
MP	Li3V2P5O16	data_[Li6V4P10O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.0502] _cell_length_b [7.0079]...	2.685	0.035	0.5221	0.0411
MP	SrLuCuSe3	data_[Sr4Lu4Cu4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Lu 1.2700 1.7500 1.0010 Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.0594] _cell_length_b [13...	1.123	0.0	0.3364	0.0
MP	K2RbScF6	data_[K8Rb4Sc4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 Sc 1.3600 1.6000 0.8850 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.3380] _cell_length_b [9.338...	5.854	0.066	0.7128	0.0675
MP	LiSi3BiO8	data_[Li2Si6Bi2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Si 1.9000 1.1000 0.5400 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.1750] _cell_length_b [7.4855...	3.131	0.097	0.5584	0.0907
MP	K2CN2	data_[K4C2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.8189] _cell_length_b [5.7698] _cell_length_c [5.9179] _cell_ang...	3.143	0.0	0.5593	0.0
MP	Rb3FeO3	data_[Rb12Fe4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.5232] _cell_length_b [11.7646] _cell_length_c [6.9357] _c...	0.492	0.0	0.2029	0.0
MP	Al(CoO2)2	data_[Al2Co4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.1223] _cell_length_b [5.2513] _cell_length_c [6.0358] _cell_...	0.041	0.34	0.0323	0.2279
MP	LiFe2OF3	data_[Li8Fe16O8F24] 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 [Imm2] _cell_length_a [6.1262] _cell_length_b [12.53...	2.637	0.046	0.5179	0.0509
MP	Sr3CaTi2Mn2O10	data_[Sr24Ca8Ti16Mn16O80] 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 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_lengt...	0.783	0.063	0.2724	0.0651
MP	BaTe2	data_[Ba4Te8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [7.2369] _cell_length_b [7.2369] _cell_length_c [9.1471] _cell_angle_alpha [90.0000] _cell...	0.125	0.0	0.0763	0.0
MP	Hg3(TeI)2	data_[Hg24Te16I16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 Te 2.1000 1.4000 1.2933 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [14.7047] _cell_length_b [10.2735] _cell_length_c [14.7248]...	1.467	0.0	0.3891	0.0
MP	K4Ru2Cl10O	data_[K8Ru4Cl20O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ru 2.2000 1.3000 0.6610 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [7.3095] _cell_length_b [7.30...	0.598	0.0	0.2303	0.0
MP	Ca2Zn4As4O17	data_[Ca8Zn16As16O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Zn 1.6500 1.3500 0.8800 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 [19.8196] _cell_length_b [7...	0.057	0.056	0.0417	0.0594
MP	VBiO4	data_[V4Bi4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.3379] _cell_length_b [11.7477] _cell_length_c [5.1774] _cell...	2.297	0.019	0.4862	0.0254
MP	LiCu2Si12(H3C)27	data_[Li2Cu4Si24H162C54] 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 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length...	2.651	0.064	0.5192	0.0659
MP	ErI3O11	data_[Er2I6O22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9945] _cell_length_b [7.5252] _cell_length_c [10.6687] _cell_...	0.324	0.279	0.1528	0.1983
MP	ReNClF5	data_[Re2N2Cl2F10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.1221] _cell_length_b [8.64...	1.804	0.026	0.4326	0.0325
MP	Na3MnO3	data_[Na12Mn4O12] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [9.7124] _cell_length_b [9.7124] _cell_length_c [4.3620]...	0.99	0.034	0.3131	0.0402
MP	Ga2PbSe4	data_[Ga8Pb4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Pb 2.3300 1.8000 1.1225 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cccm] _cell_length_a [6.3450] _cell_length_b [10.9669] _cell_length_c [11.0642] ...	1.725	0.009	0.423	0.014
MP	NdTa2O6F	data_[Nd4Ta8O24F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.3805] _cell_length_b [7.5906...	3.249	0.053	0.5673	0.0569
MP	KNd(CO3)2	data_[K4Nd4C8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nd 1.1400 1.8500 1.2765 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [9.8334] _cell_length_b [6.5533...	4.427	0.0	0.6428	0.0
MP	KLiHo2(MoO4)4	data_[K4Li4Ho8Mo16O64] 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 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_...	3.226	0.019	0.5655	0.0254
MP	Li4FeP2O9	data_[Li40Fe10P20O90] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [12.7462] _cell_length_b [7....	0.034	0.078	0.0279	0.0768
MP	H4CSN2	data_[H16C4S4N8] 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 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [8.5775] _cell_length_b [5.4970] ...	3.285	0.006	0.5699	0.0101
MP	LiLaMg30O32	data_[Li1La1Mg30O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 La 1.1000 1.9500 1.1720 Mg 1.3100 1.5000 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6081] _cell_length_b [8...	4.004	0.047	0.618	0.0518
MP	AsH18N3O7	data_[As4H72N12O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 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 [6.7907] _cell_length_b [6.36...	4.173	0.0	0.6282	0.0
MP	H13RuN5(ClO)2	data_[H52Ru4N20Cl8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Ru 2.2000 1.3000 0.6610 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a ...	2.419	0.036	0.498	0.042
MP	Sr21(Cd2Bi9)2	data_[Sr84Cd16Bi72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cd 1.6900 1.5500 1.0900 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [18.8122] _cell_length_b [18.0101] _cell_length_c [18.481...	0.348	0.0	0.1605	0.0
MP	Ga8Sb7Se8Cl29	data_[Ga16Sb14Se16Cl58] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [11.1416] _cell_length_b ...	1.685	0.0	0.418	0.0
MP	Rb4In2S5	data_[Rb8In4S10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 In 1.7800 1.5500 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.7603] _cell_length_b [9.5054] _cell_length_c [11.0218] _cel...	2.093	0.004	0.4652	0.0073
MP	Te6MoBr3	data_[Te24Mo4Br12] 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 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.6355] _cell_length_b [12.0595] _cell_length_c [14.6451] ...	1.182	0.043	0.3461	0.0483
MP	CuPO4	data_[Cu8P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [5.4596] _cell_length_b [10.8510] _cell_length_c [9.5756] _cell...	0.008	0.086	0.0088	0.0827
MP	LiCr3Ni(SO4)6	data_[Li1Cr3Ni1S6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 Ni 1.9100 1.3500 0.7400 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...	2.331	0.009	0.4895	0.014
MP	Cs3Cr2I9	data_[Cs6Cr4I18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cr 1.6600 1.4000 0.9400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [8.2812] _cell_length_b [8.2812] _cell_length_c [20.8316]...	0.721	0.0	0.259	0.0
MP	Ba3Mn4PtO12	data_[Ba3Mn4Pt1O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mn 1.5500 1.4000 0.6483 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [5.1538] _cell_length_b [5.9744...	0.068	0.194	0.0479	0.1526
MP	Rb2LiTaS4	data_[Rb8Li4Ta4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Li 0.9800 1.4500 0.9000 Ta 1.5000 1.4500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.2043] _cell_length_b [11.56...	2.82	0.0	0.5336	0.0
MP	Ti3NiBi2(PbO6)2	data_[Ti3Ni1Bi2Pb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ni 1.9100 1.3500 0.7400 Bi 2.0200 1.6000 1.0350 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...	2.657	0.035	0.5197	0.0411
MP	CdAuO2	data_[Cd2Au2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Au 2.5400 1.3500 1.0700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.1369] _cell_length_b [5.6000] _cell_length_c [6.1102] _cell_...	0.896	0.0	0.2953	0.0
MP	KAl2Br7	data_[K4Al8Br28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Al 1.6100 1.2500 0.6750 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.0963] _cell_length_b [11.3683] _cell_length_c [14.8994]...	4.231	0.0	0.6316	0.0
MP	Rb2NaMnF6	data_[Rb4Na2Mn2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [6.0166] _cell_length_b [6....	1.679	0.0	0.4172	0.0
MP	CoPO4	data_[Co24P24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P6_5] _cell_length_a [10.3821] _cell_length_b [10.3821] _cell_length_c [24.7279] _...	1.197	0.025	0.3486	0.0315
MP	NbVO5	data_[Nb2V2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/n] _cell_length_a [6.8800] _cell_length_b [6.8800] _cell_length_c [4.2990] _cell_...	1.785	0.029	0.4303	0.0354
MP	BaLu2F8	data_[Ba8Lu16F64] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.9307] _cell_length_b [8.1092] _cell_length_c [22.1276] _c...	7.313	0.0	0.7695	0.0
MP	LiBH2OF4	data_[Li8B8H16O8F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [1...	7.296	0.012	0.7689	0.0176
MP	Na2Gd2Ti3O10	data_[Na4Gd4Ti6O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Gd 1.2000 1.8000 1.0750 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.8316] _cell_length_b [3....	1.392	0.074	0.3784	0.0737
MP	Li2GePt	data_[Li4Ge2Pt2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ge 2.0100 1.2500 0.7700 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.9331] _cell_length_b [9.9584] _cell_length_c [15.8242] _c...	0.028	1.922	0.0239	0.6439
MP	Ca3Ta2O8	data_[Ca12Ta8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.0661] _cell_length_b [8.8802] _cell_length_c [9.1754] _c...	4.21	0.031	0.6304	0.0374
MP	CsCl	data_[Cs1Cl1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.2091] _cell_length_b [4.2091] _cell_length_c [4.2091] _cell_angle_alpha [90.0000] _cell_...	4.988	0.0	0.6725	0.0
MP	Te8Mo3W	data_[Te8Mo3W1] 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 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.5575] _cell_length_b [3.5575] _cell_length_c [40.0772] _cel...	0.527	0.006	0.2122	0.0101
MP	Li5Mn7O16	data_[Li10Mn14O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [8.3912] _cell_length_b [11.7690] _cell_length_c [5.8257] _...	0.871	0.0	0.2904	0.0
MP	La3As2ClO7	data_[La12As8Cl4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 As 2.1800 1.1500 0.6600 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [13.0956] _cell_length_b...	3.154	0.0	0.5601	0.0
MP	Nb2P4O15	data_[Nb4P8O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P-1] _cell_length_a [6.8066] _cell_length_b [8.5359] _cell_length_c [11.2232] _cell_...	3.271	0.012	0.5689	0.0176
MP	Re(TeCl6)2	data_[Re9Te18Cl108] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 Te 2.1000 1.4000 1.2933 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [11.5082] _cell_length_b [11.5082] _cell_length_c [37.5350...	0.93	0.003	0.3019	0.0058
MP	K4V5CuClO15	data_[K4V5Cu1Cl1O15] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 V 1.6300 1.3500 0.7775 Cu 1.9000 1.3500 0.8200 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4] _cell_length_a [8....	0.267	0.005	0.1333	0.0088
MP	Li3AlF6	data_[Li36Al12F72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [14.4568] _cell_length_b [8.5307] _cell_length_c [10.0485] ...	7.783	0.0	0.7854	0.0
MP	LiBi3(ClO2)2	data_[Li4Bi12Cl8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Bi 2.0200 1.6000 1.0350 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.5107] _cell_length_b [12....	2.828	0.0	0.5343	0.0
MP	K10Zn4Sn4S17	data_[K30Zn12Sn12S51] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Zn 1.6500 1.3500 0.8800 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [14.3304] _cell_length_b [14....	2.138	0.0	0.47	0.0
MP	LiBi3(IO2)2	data_[Li2Bi6I4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Bi 2.0200 1.6000 1.0350 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [5.6509] _cell_length_b [5.6537]...	1.867	0.001	0.4401	0.0024
MP	SbH24C6(NCl2)3	data_[Sb2H48C12N6Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a ...	3.603	0.028	0.5922	0.0345
MP	Li2CrCo(PO4)2	data_[Li4Cr2Co2P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length...	1.079	0.045	0.3289	0.0501
MP	Ag7PS6	data_[Ag28P4S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [10.5310] _cell_length_b [10.5310] _cell_length_c [10.5310] _...	0.912	0.003	0.2984	0.0058
MP	LiScCd2	data_[Li2Sc2Cd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sc 1.3600 1.6000 0.8850 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.8044] _cell_length_b [12.2176] _cell_length_c [17.6599] ...	0.051	1.627	0.0383	0.5922
MP	Li3Co2(SiO4)2	data_[Li6Co4Si4O16] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [7.5077] _cell_length_b [7.5630...	0.511	0.061	0.208	0.0635
MP	Cs2MnH12(SeO7)2	data_[Cs4Mn2H24Se4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 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 [P2_1/c] _cell_lengt...	2.775	0.0	0.5298	0.0
MP	Nd2Se3	data_[Nd32Se48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [8.9485] _cell_length_b [8.9485] _cell_length_c [26.8107] _cell_angle_alpha [90.0000] _ce...	1.478	0.0	0.3906	0.0
MP	LiSb3O8	data_[Li2Sb6O16] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.7054] _cell_length_b [4.7844] _cell_length_c [10.4512] _...	0.974	0.0	0.3101	0.0
MP	Sr2Al2SiO7	data_[Sr4Al4Si2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.3279] _cell_length_b [7.91...	4.202	0.0	0.6299	0.0

MP

Li6NCl3

data_[Li12N2Cl6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [6.4750] _cell_length_b [3.7431] _cell_length_c [13.5289] _cell...

1.387

0.034

0.3777

0.0402

MP

K3B6BrO10

data_[K9B18Br3O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 B 2.0400 0.8500 0.4100 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [10.2159] _cell_length_b [10.2159...

5.212

0.0

0.6835

0.0

MP

Ta2Mn(P2O7)3

data_[Ta4Mn2P12O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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 [6.6670] _cell_length_b [8.0...

2.082

0.0

0.4641

0.0

MP

Bi2PbS4

data_[Bi8Pb4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [11.8954] _cell_length_b [4.1329] _cell_length_c [14.6864] _c...

1.08

0.006

0.329

0.0101

MP

Na2MgGeO4

data_[Na4Mg2Ge2O8] 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 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [5.4232] _cell_length_b [5.6925]...

3.268

0.0

0.5687

0.0

MP

FeHO2

data_[Fe4H4O8] 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 [P1] _cell_length_a [3.0933] _cell_length_b [7.4078] _cell_length_c [7.8795] _cell_ang...

1.401

0.121

0.3797

0.1073

MP

Eu2Hf2(MoO4)7

data_[Eu8Hf8Mo28O112] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Hf 1.3000 1.5500 0.8500 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 [21.2589] _cell_length_b [1...

0.359

0.0

0.164

0.0

MP

K3Sb5O14

data_[K12Sb20O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [7.2765] _cell_length_b [24.6918] _cell_length_c [7.4581] _ce...

1.352

0.018

0.3725

0.0243

MP

Nd2S3O17

data_[Nd8S12O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [15.9684] _cell_length_b [10.1900] _cell_length_c [10.1895] _cel...

0.819

0.683

0.2799

0.3612

MP

Dy2CI3

data_[Dy16C8I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 C 2.5500 0.7000 0.3000 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.5106] _cell_length_b [13.8164] _cell_length_c [16.8397] _...

0.552

0.0

0.2187

0.0

MP

LiVSiO4

data_[Li18V18Si18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [13.9862] _cell_length_b [13....

1.902

0.087

0.4441

0.0835

MP

KMnP3HO10

data_[K2Mn2P6H2O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.2...

1.109

0.001

0.334

0.0024

MP

BaBi12Mo4WO34

data_[Ba2Bi24Mo8W2O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Bi 2.0200 1.6000 1.0350 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_...

3.348

0.018

0.5745

0.0243

MP

Ba3LiTi5(SbO7)3

data_[Ba6Li2Ti10Sb6O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_...

2.328

0.035

0.4892

0.0411

MP

Li15V6(P8O29)2

data_[Li15V6P16O58] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.8468] _cell_length_b [9.8507] ...

1.074

0.015

0.328

0.021

MP

CsMn(PO3)4

data_[Cs2Mn2P8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 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 [5.3333] _cell_length_b [13.844...

0.943

0.0

0.3043

0.0

MP

Cs2W(OF2)2

data_[Cs4W2O4F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.0626] _cell_length_b [6.4404] ...

3.177

0.0

0.5619

0.0

MP

Dy3CuGeSe7

data_[Dy6Cu2Ge2Se14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Cu 1.9000 1.3500 0.8200 Ge 2.0100 1.2500 0.7700 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.3329] _cell_length_b [1...

1.128

0.0

0.3372

0.0

MP

LaAgO2

data_[La3Ag3O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.8366] _cell_length_b [3.8366] _cell_length_c [18.6928] _cel...

2.827

0.0

0.5342

0.0

MP

KHg5Cl11

data_[K2Hg10Cl22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Hg 2.0000 1.5000 1.2450 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.3783] _cell_length_b [14.8217] _cell_length_c [6.6551] _...

2.648

0.0

0.5189

0.0

MP

Nd2NiO4

data_[Nd4Ni2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.9599] _cell_length_b [4.0652] _cell_length_c [12.1930] _cel...

0.672

0.116

0.2479

0.104

MP

Li2Fe3O3F5

data_[Li4Fe6O6F10] 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 [Cm] _cell_length_a [10.4217] _cell_length_b [5.9431]...

2.006

0.11

0.4558

0.0999

MP

KSi

data_[K32Si32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [I4_1/acd] _cell_length_a [10.6093] _cell_length_b [10.6093] _cell_length_c [17.2551] _cell_angle_alpha [90.0000] ...

1.581

0.015

0.4046

0.021

MP

S5N2O2F

data_[S40N16O16F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.2295] _cell_length_b [10.8600...

1.06

0.238

0.3256

0.177

MP

AgClO3

data_[Ag8Cl8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [8.6725] _cell_length_b [8.6725] _cell_length_c [8.1652] _cel...

2.398

0.038

0.496

0.0438

MP

Ba9Fe4S15

data_[Ba36Fe16S60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Fe 1.8300 1.4000 0.8525 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [25.3901] _cell_length_b [9.6343] _cell_length_c [12.7192] ...

0.038

0.055

0.0304

0.0585

MP

LaFeO3

data_[La4Fe4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.6619] _cell_length_b [7.9447] _cell_length_c [5.6008] _cel...

1.433

0.028

0.3843

0.0345

MP

KSnAs

data_[K2Sn2As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sn 1.9600 1.4500 0.8300 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [4.1803] _cell_length_b [4.1803] _cell_length_c [12.9615] _c...

0.335

0.0

0.1564

0.0

MP

YScO3

data_[Y6Sc6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Sc 1.3600 1.6000 0.8850 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3cm] _cell_length_a [6.2172] _cell_length_b [6.2172] _cell_length_c [12.2996] _ce...

3.139

0.02

0.559

0.0264

MP

InSe

data_[In4Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.7027] _cell_length_b [4.1449] _cell_length_c [5.2306] _cell_angle_alpha [90.0000] _cell_...

1.08

0.037

0.329

0.0429

MP

Ca5MnO6

data_[Ca10Mn2O12] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [17.5111] _cell_length_b [3.3816] _cell_length_c [5.8510] _c...

2.968

0.023

0.5457

0.0295

MP

Li2FePCO7

data_[Li4Fe2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a...

2.475

0.019

0.5032

0.0254

MP

DyI6

data_[Dy2I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [14.2379] _cell_length_b [17.5503] _cell_length_c [54.6850] _cell_angle_alpha [90.0000] _cell...

0.134

0.529

0.0804

0.3069

MP

Li3V2P5O16

data_[Li6V4P10O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.0502] _cell_length_b [7.0079]...

2.685

0.035

0.5221

0.0411

MP

SrLuCuSe3

data_[Sr4Lu4Cu4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Lu 1.2700 1.7500 1.0010 Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.0594] _cell_length_b [13...

1.123

0.0

0.3364

0.0

MP

K2RbScF6

data_[K8Rb4Sc4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 Sc 1.3600 1.6000 0.8850 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.3380] _cell_length_b [9.338...

5.854

0.066

0.7128

0.0675

MP

LiSi3BiO8

data_[Li2Si6Bi2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Si 1.9000 1.1000 0.5400 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.1750] _cell_length_b [7.4855...

3.131

0.097

0.5584

0.0907

MP

K2CN2

data_[K4C2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.8189] _cell_length_b [5.7698] _cell_length_c [5.9179] _cell_ang...

3.143

0.0

0.5593

0.0

MP

Rb3FeO3

data_[Rb12Fe4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.5232] _cell_length_b [11.7646] _cell_length_c [6.9357] _c...

0.492

0.0

0.2029

0.0

MP

Al(CoO2)2

data_[Al2Co4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.1223] _cell_length_b [5.2513] _cell_length_c [6.0358] _cell_...

0.041

0.34

0.0323

0.2279

MP

LiFe2OF3

data_[Li8Fe16O8F24] 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 [Imm2] _cell_length_a [6.1262] _cell_length_b [12.53...

2.637

0.046

0.5179

0.0509

MP

Sr3CaTi2Mn2O10

data_[Sr24Ca8Ti16Mn16O80] 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 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_lengt...

0.783

0.063

0.2724

0.0651

MP

BaTe2

data_[Ba4Te8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [7.2369] _cell_length_b [7.2369] _cell_length_c [9.1471] _cell_angle_alpha [90.0000] _cell...

0.125

0.0

0.0763

0.0

MP

Hg3(TeI)2

data_[Hg24Te16I16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 Te 2.1000 1.4000 1.2933 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [14.7047] _cell_length_b [10.2735] _cell_length_c [14.7248]...

1.467

0.0

0.3891

0.0

MP

K4Ru2Cl10O

data_[K8Ru4Cl20O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ru 2.2000 1.3000 0.6610 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [7.3095] _cell_length_b [7.30...

0.598

0.0

0.2303

0.0

MP

Ca2Zn4As4O17

data_[Ca8Zn16As16O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Zn 1.6500 1.3500 0.8800 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 [19.8196] _cell_length_b [7...

0.057

0.056

0.0417

0.0594

MP

VBiO4

data_[V4Bi4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.3379] _cell_length_b [11.7477] _cell_length_c [5.1774] _cell...

2.297

0.019

0.4862

0.0254

MP

LiCu2Si12(H3C)27

data_[Li2Cu4Si24H162C54] 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 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length...

2.651

0.064

0.5192

0.0659

MP

ErI3O11

data_[Er2I6O22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9945] _cell_length_b [7.5252] _cell_length_c [10.6687] _cell_...

0.324

0.279

0.1528

0.1983

MP

ReNClF5

data_[Re2N2Cl2F10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.1221] _cell_length_b [8.64...

1.804

0.026

0.4326

0.0325

MP

Na3MnO3

data_[Na12Mn4O12] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [9.7124] _cell_length_b [9.7124] _cell_length_c [4.3620]...

0.99

0.034

0.3131

0.0402

MP

Ga2PbSe4

data_[Ga8Pb4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Pb 2.3300 1.8000 1.1225 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cccm] _cell_length_a [6.3450] _cell_length_b [10.9669] _cell_length_c [11.0642] ...

1.725

0.009

0.423

0.014

MP

NdTa2O6F

data_[Nd4Ta8O24F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.3805] _cell_length_b [7.5906...

3.249

0.053

0.5673

0.0569

MP

KNd(CO3)2

data_[K4Nd4C8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nd 1.1400 1.8500 1.2765 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [9.8334] _cell_length_b [6.5533...

4.427

0.0

0.6428

0.0

MP

KLiHo2(MoO4)4

data_[K4Li4Ho8Mo16O64] 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 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_...

3.226

0.019

0.5655

0.0254

MP

Li4FeP2O9

data_[Li40Fe10P20O90] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [12.7462] _cell_length_b [7....

0.034

0.078

0.0279

0.0768

MP

H4CSN2

data_[H16C4S4N8] 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 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [8.5775] _cell_length_b [5.4970] ...

3.285

0.006

0.5699

0.0101

MP

LiLaMg30O32

data_[Li1La1Mg30O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 La 1.1000 1.9500 1.1720 Mg 1.3100 1.5000 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6081] _cell_length_b [8...

4.004

0.047

0.618

0.0518

MP

AsH18N3O7

data_[As4H72N12O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 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 [6.7907] _cell_length_b [6.36...

4.173

0.0

0.6282

0.0

MP

H13RuN5(ClO)2

data_[H52Ru4N20Cl8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Ru 2.2000 1.3000 0.6610 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a ...

2.419

0.036

0.498

0.042

MP

Sr21(Cd2Bi9)2

data_[Sr84Cd16Bi72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cd 1.6900 1.5500 1.0900 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [18.8122] _cell_length_b [18.0101] _cell_length_c [18.481...

0.348

0.0

0.1605

0.0

MP

Ga8Sb7Se8Cl29

data_[Ga16Sb14Se16Cl58] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [11.1416] _cell_length_b ...

1.685

0.0

0.418

0.0

MP

Rb4In2S5

data_[Rb8In4S10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 In 1.7800 1.5500 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.7603] _cell_length_b [9.5054] _cell_length_c [11.0218] _cel...

2.093

0.004

0.4652

0.0073

MP

Te6MoBr3

data_[Te24Mo4Br12] 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 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.6355] _cell_length_b [12.0595] _cell_length_c [14.6451] ...

1.182

0.043

0.3461

0.0483

MP

CuPO4

data_[Cu8P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [5.4596] _cell_length_b [10.8510] _cell_length_c [9.5756] _cell...

0.008

0.086

0.0088

0.0827

MP

LiCr3Ni(SO4)6

data_[Li1Cr3Ni1S6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 Ni 1.9100 1.3500 0.7400 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...

2.331

0.009

0.4895

0.014

MP

Cs3Cr2I9

data_[Cs6Cr4I18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cr 1.6600 1.4000 0.9400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [8.2812] _cell_length_b [8.2812] _cell_length_c [20.8316]...

0.721

0.0

0.259

0.0

MP

Ba3Mn4PtO12

data_[Ba3Mn4Pt1O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mn 1.5500 1.4000 0.6483 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [5.1538] _cell_length_b [5.9744...

0.068

0.194

0.0479

0.1526

MP

Rb2LiTaS4

data_[Rb8Li4Ta4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Li 0.9800 1.4500 0.9000 Ta 1.5000 1.4500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.2043] _cell_length_b [11.56...

2.82

0.0

0.5336

0.0

MP

Ti3NiBi2(PbO6)2

data_[Ti3Ni1Bi2Pb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Ni 1.9100 1.3500 0.7400 Bi 2.0200 1.6000 1.0350 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...

2.657

0.035

0.5197

0.0411

MP

CdAuO2

data_[Cd2Au2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Au 2.5400 1.3500 1.0700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.1369] _cell_length_b [5.6000] _cell_length_c [6.1102] _cell_...

0.896

0.0

0.2953

0.0

MP

KAl2Br7

data_[K4Al8Br28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Al 1.6100 1.2500 0.6750 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.0963] _cell_length_b [11.3683] _cell_length_c [14.8994]...

4.231

0.0

0.6316

0.0

MP

Rb2NaMnF6

data_[Rb4Na2Mn2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [6.0166] _cell_length_b [6....

1.679

0.0

0.4172

0.0

MP

CoPO4

data_[Co24P24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P6_5] _cell_length_a [10.3821] _cell_length_b [10.3821] _cell_length_c [24.7279] _...

1.197

0.025

0.3486

0.0315

MP

NbVO5

data_[Nb2V2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/n] _cell_length_a [6.8800] _cell_length_b [6.8800] _cell_length_c [4.2990] _cell_...

1.785

0.029

0.4303

0.0354

MP

BaLu2F8

data_[Ba8Lu16F64] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.9307] _cell_length_b [8.1092] _cell_length_c [22.1276] _c...

7.313

0.0

0.7695

0.0

MP

LiBH2OF4

data_[Li8B8H16O8F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [1...

7.296

0.012

0.7689

0.0176

MP

Na2Gd2Ti3O10

data_[Na4Gd4Ti6O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Gd 1.2000 1.8000 1.0750 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.8316] _cell_length_b [3....

1.392

0.074

0.3784

0.0737

MP

Li2GePt

data_[Li4Ge2Pt2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ge 2.0100 1.2500 0.7700 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.9331] _cell_length_b [9.9584] _cell_length_c [15.8242] _c...

0.028

1.922

0.0239

0.6439

MP

Ca3Ta2O8

data_[Ca12Ta8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.0661] _cell_length_b [8.8802] _cell_length_c [9.1754] _c...

4.21

0.031

0.6304

0.0374

MP

CsCl

data_[Cs1Cl1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.2091] _cell_length_b [4.2091] _cell_length_c [4.2091] _cell_angle_alpha [90.0000] _cell_...

4.988

0.0

0.6725

0.0

MP

Te8Mo3W

data_[Te8Mo3W1] 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 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.5575] _cell_length_b [3.5575] _cell_length_c [40.0772] _cel...

0.527

0.006

0.2122

0.0101

MP

Li5Mn7O16

data_[Li10Mn14O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [8.3912] _cell_length_b [11.7690] _cell_length_c [5.8257] _...

0.871

0.0

0.2904

0.0

MP

La3As2ClO7

data_[La12As8Cl4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 As 2.1800 1.1500 0.6600 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [13.0956] _cell_length_b...

3.154

0.0

0.5601

0.0

MP

Nb2P4O15

data_[Nb4P8O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P-1] _cell_length_a [6.8066] _cell_length_b [8.5359] _cell_length_c [11.2232] _cell_...

3.271

0.012

0.5689

0.0176

MP

Re(TeCl6)2

data_[Re9Te18Cl108] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 Te 2.1000 1.4000 1.2933 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [11.5082] _cell_length_b [11.5082] _cell_length_c [37.5350...

0.93

0.003

0.3019

0.0058

MP

K4V5CuClO15

data_[K4V5Cu1Cl1O15] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 V 1.6300 1.3500 0.7775 Cu 1.9000 1.3500 0.8200 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4] _cell_length_a [8....

0.267

0.005

0.1333

0.0088

MP

Li3AlF6

data_[Li36Al12F72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [14.4568] _cell_length_b [8.5307] _cell_length_c [10.0485] ...

7.783

0.0

0.7854

0.0

MP

LiBi3(ClO2)2

data_[Li4Bi12Cl8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Bi 2.0200 1.6000 1.0350 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.5107] _cell_length_b [12....

2.828

0.0

0.5343

0.0

MP

K10Zn4Sn4S17

data_[K30Zn12Sn12S51] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Zn 1.6500 1.3500 0.8800 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [14.3304] _cell_length_b [14....

2.138

0.0

0.47

0.0

MP

LiBi3(IO2)2

data_[Li2Bi6I4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Bi 2.0200 1.6000 1.0350 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [5.6509] _cell_length_b [5.6537]...

1.867

0.001

0.4401

0.0024

MP

SbH24C6(NCl2)3

data_[Sb2H48C12N6Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a ...

3.603

0.028

0.5922

0.0345

MP

Li2CrCo(PO4)2

data_[Li4Cr2Co2P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length...

1.079

0.045

0.3289

0.0501

MP

Ag7PS6

data_[Ag28P4S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [10.5310] _cell_length_b [10.5310] _cell_length_c [10.5310] _...

0.912

0.003

0.2984

0.0058

MP

LiScCd2

data_[Li2Sc2Cd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sc 1.3600 1.6000 0.8850 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.8044] _cell_length_b [12.2176] _cell_length_c [17.6599] ...

0.051

1.627

0.0383

0.5922

MP

Li3Co2(SiO4)2

data_[Li6Co4Si4O16] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [7.5077] _cell_length_b [7.5630...

0.511

0.061

0.208

0.0635

MP

Cs2MnH12(SeO7)2

data_[Cs4Mn2H24Se4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 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 [P2_1/c] _cell_lengt...

2.775

0.0

0.5298

0.0

MP

Nd2Se3

data_[Nd32Se48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [8.9485] _cell_length_b [8.9485] _cell_length_c [26.8107] _cell_angle_alpha [90.0000] _ce...

1.478

0.0

0.3906

0.0

MP

LiSb3O8

data_[Li2Sb6O16] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.7054] _cell_length_b [4.7844] _cell_length_c [10.4512] _...

0.974

0.0

0.3101

0.0

MP

Sr2Al2SiO7

data_[Sr4Al4Si2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.3279] _cell_length_b [7.91...

4.202

0.0

0.6299

0.0