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	CaMgAg2	data_[Ca2Mg2Ag4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mg 1.3100 1.5000 0.8600 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.4767] _cell_length_b [12.5491] _cell_length_c [17.7319] ...	0.261	1.34	0.1311	0.5348
MP	Gd2Mo4O15	data_[Gd6Mo12O45] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.4734] _cell_length_b [11.0785] _cell_length_c [11.6377] _c...	2.509	0.006	0.5064	0.0101
MP	NdEu2TaO6	data_[Nd4Eu8Ta4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Eu 1.2000 1.8500 1.1985 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.5847] _cell_length_b [8.5...	1.252	0.136	0.3573	0.1172
MP	Li2FePCO7	data_[Li8Fe4P4C4O28] 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/c] _cell_length_a...	2.067	0.022	0.4625	0.0285
MP	Li3Mo3(PO4)4	data_[Li6Mo6P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [7.7453] _cell_length_b [8.3694...	2.689	0.03	0.5225	0.0364
MP	K2LiVS4	data_[K16Li8V8S32] 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 V 1.6300 1.3500 0.7775 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [10.7002] _cell_length_b [8.5211] ...	1.602	0.0	0.4073	0.0
MP	LiNi(PO3)3	data_[Li4Ni4P12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.3578] _cell_length_b [9.4330...	2.996	0.051	0.5479	0.0552
MP	Li4V3Ni2Sb3O16	data_[Li8V6Ni4Sb6O32] 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 Ni 1.9100 1.3500 0.7400 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [...	0.011	0.062	0.0114	0.0643
MP	ScPaO4	data_[Sc1Pa1O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Pa 1.5000 1.8000 1.0400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7355] _cell_length_b [3.7355] _cell_length_c [5.2120] _ce...	2.494	0.0	0.505	0.0
MP	K2Ag(AsSe2)3	data_[K8Ag4As12Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ag 1.9300 1.6000 1.0867 As 2.1800 1.1500 0.6600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.9332] _cell_length_b [...	1.401	0.0	0.3797	0.0
MP	Pm2O3	data_[Pm12O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pm 1.1300 1.8500 1.1100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [14.4808] _cell_length_b [3.6550] _cell_length_c [8.9733] _cell_angle_alpha [90.0000] _cell_...	3.702	0.012	0.5988	0.0176
MP	MgSiO3	data_[Mg64Si64O192] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [16.4395] _cell_length_b [11.5606] _cell_length_c [16.3965] ...	4.699	0.103	0.6576	0.095
MP	Rb2Zn3O4	data_[Rb8Zn12O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [15.4827] _cell_length_b [6.6087] _cell_length_c [5.8701] _c...	1.412	0.0	0.3813	0.0
MP	Tb6CoBr10	data_[Tb6Co1Br10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Co 1.8800 1.3500 0.7683 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.3940] _cell_length_b [9.1524] _cell_length_c [9.2394] _ce...	0.003	0.0	0.004	0.0
MP	LiAl(MoO4)2	data_[Li2Al2Mo4O16] 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 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.7259] _cell_length_b [7.133...	3.625	0.014	0.5937	0.0199
MP	Mn6OF11	data_[Mn24O4F44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [7.5091] _cell_length_b [7.3969] _cell_length_c [15.6225] _cell_...	0.097	0.097	0.0629	0.0907
MP	Ho2P4O13	data_[Ho8P16O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.8601] _cell_length_b [9.6070] _cell_length_c [13.9609] _c...	5.433	0.018	0.694	0.0243
MP	Ba2MnSi2ClO7	data_[Ba4Mn2Si4Cl2O14] 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 Si 1.9000 1.1000 0.5400 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4bm] _cell_length...	1.473	0.0	0.3899	0.0
MP	LiMn2Cr2O8	data_[Li4Mn8Cr8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.8626] _cell_length_b [10.119...	0.642	0.124	0.2409	0.1093
MP	Tl2S	data_[Tl6S3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P3] _cell_length_a [7.2942] _cell_length_b [7.2942] _cell_length_c [6.2648] _cell_angle_alpha [90.0000] _cell_angle...	0.958	0.002	0.3071	0.0042
MP	In2H10S3O17	data_[In4H20S6O34] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.8214] _cell_length_b [10.9541]...	4.131	0.0	0.6257	0.0
MP	Li2CoP2O7	data_[Li4Co2P4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-42_1m] _cell_length_a [7.6860] _cell_length_b [7.6...	3.283	0.068	0.5698	0.069
MP	CuSb6(SO8)2	data_[Cu1Sb6S2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.6360] _cell_length_b [7.8132]...	0.423	0.0	0.1834	0.0
MP	SmP2H16C6NO13	data_[Sm4P8H64C24N4O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_na...	3.667	0.162	0.5965	0.1336
MP	Si2Ag6O7	data_[Si12Ag36O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.0115] _cell_length_b [9.9247] _cell_length_c [10.8565] ...	0.174	0.047	0.0977	0.0518
MP	Ti3Co2P6WO24	data_[Ti9Co6P18W3O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8...	0.356	0.23	0.1631	0.1727
MP	Ba2CaFe2CuF14	data_[Ba8Ca4Fe8Cu4F56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ca 1.0000 1.8000 1.1400 Fe 1.8300 1.4000 0.8525 Cu 1.9000 1.3500 0.8200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length...	1.515	0.006	0.3957	0.0101
MP	Al5(CoO4)3	data_[Al20Co12O48] 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 [C2/m] _cell_length_a [9.9728] _cell_length_b [5.7431] _cell_length_c [13.9900] _...	0.321	0.081	0.1518	0.079
MP	RhC8N4Cl7	data_[Rh2C16N8Cl14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rh 2.2800 1.3500 0.7450 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_12_12] _cell_length_a [8.9666] _cell_length_b [1...	0.445	1.088	0.1898	0.4766
MP	Li2VCo3O8	data_[Li4V2Co6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [5.7062] _cell_length_b [5.70...	0.383	0.048	0.1715	0.0526
MP	CsTi2P3(O5F2)2	data_[Cs2Ti4P6O20F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ti 1.5400 1.4000 0.8517 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 [P2/c] _cell_length_a [...	2.722	0.0	0.5253	0.0
MP	NaCu3O2	data_[Na8Cu24O16] 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 [Pbca] _cell_length_a [7.4582] _cell_length_b [14.3436] _cell_length_c [7.4868] _c...	1.238	0.051	0.3551	0.0552
MP	CeSe2	data_[Ce24Se48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [17.5423] _cell_length_b [17.5423] _cell_length_c [17.5423] _cell_angle_alpha [90.0000] _c...	1.013	0.534	0.3172	0.3088
MP	DyZr9Si9PO40	data_[Dy4Zr36Si36P4O160] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C222] _cell_lengt...	3.967	0.011	0.6157	0.0164
MP	CsAlH24(SO10)2	data_[Cs4Al4H96S8O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Al 1.6100 1.2500 0.6750 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 [Pa-3] _cell_length_a ...	5.279	0.0	0.6868	0.0
MP	ErTeAs	data_[Er4Te4As4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Te 2.1000 1.4000 1.2933 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.5085] _cell_length_b [4.0542] _cell_length_c [9.8621] _ce...	0.362	0.0	0.165	0.0
MP	La3CuSnSe7	data_[La6Cu2Sn2Se14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cu 1.9000 1.3500 0.8200 Sn 1.9600 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.8065] _cell_length_b [1...	1.209	0.0	0.3505	0.0
MP	ZnCoO2	data_[Zn4Co4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 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 [5.3226] _cell_length_b [3.0093] _cell_length_c [10.0414] _cel...	0.925	0.114	0.3009	0.1026
MP	Pr2SiC(NO2)2	data_[Pr4Si2C2N4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6....	3.897	0.0	0.6114	0.0
MP	CsSbC6Cl5	data_[Cs2Sb2C12Cl10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Sb 2.0500 1.4500 0.8300 C 2.5500 0.7000 0.3000 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [7.4719] _cell_length_b [1...	0.367	0.87	0.1665	0.4186
MP	Cd2MoWO8	data_[Cd4Mo2W2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 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 [I-4] _cell_length_a [5.2722] _cell_length_b [5.2722]...	2.711	0.046	0.5244	0.0509
MP	V3Fe(PO4)6	data_[V9Fe3P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.5412] _cell_length_b [8.5412] _...	1.192	0.019	0.3478	0.0254
MP	Li3CrBPO7	data_[Li6Cr2B2P2O14] 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 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a...	3.318	0.077	0.5723	0.076
MP	Mg(FeO2)2	data_[Mg6Fe12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.9878] _cell_length_b [6.0007] _cell_length_c [14.6418] _cel...	1.515	0.113	0.3957	0.1019
MP	LaGd(BrO)2	data_[La1Gd1Br2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Gd 1.2000 1.8000 1.0750 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4mm] _cell_length_a [4.0346] _cell_length_b [4.034...	2.753	0.016	0.528	0.0221
MP	Pr2Pb17Se20	data_[Pr4Pb34Se40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Pb 2.3300 1.8000 1.1225 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [19.1128] _cell_length_b [4.4082] _cell_length_c [29.1794]...	0.69	0.014	0.252	0.0199
MP	Mg30ZnBiO32	data_[Mg30Zn1Bi1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6444] _cell_length_b [8...	0.184	0.085	0.1018	0.082
MP	LuGaO3	data_[Lu2Ga2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.4579] _cell_length_b [3.4579] _cell_length_c [11.7053] ...	2.513	0.021	0.5068	0.0275
MP	TlFeO2	data_[Tl8Fe8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [8.6177] _cell_length_b [8.6177] _cell_length_c [8.6177] _ce...	1.019	0.207	0.3183	0.16
MP	LiV2O5	data_[Li2V4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [3.6222] _cell_length_b [11.4892] _cell_length_c [4.7274] _cell...	0.337	0.095	0.157	0.0893
MP	Mn2Sb2O7	data_[Mn12Sb12O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3_121] _cell_length_a [7.3337] _cell_length_b [7.3337] _cell_length_c [17.5517]...	0.303	0.025	0.1458	0.0315
MP	MoCl3	data_[Mo8Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.8172] _cell_length_b [10.1036] _cell_length_c [13.0937] _cell_angle_alpha [90.0000] _cel...	0.294	0.053	0.1427	0.0569
MP	HoOF	data_[Ho6O6F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.8030] _cell_length_b [3.8030] _cell_length_c [18.9841] _cell_...	5.089	0.0	0.6776	0.0
MP	K6Na2MnH24(WO6)6	data_[K18Na6Mn3H72W18O108] 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 Mn 1.5500 1.4000 0.6483 H 2.2000 0.2500 0.0000 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_grou...	1.885	0.008	0.4421	0.0128
MP	Li4VF8	data_[Li16V4F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.4762] _cell_length_b [9.4515] _cell_length_c [5.6674] _cell...	2.112	0.089	0.4673	0.0849
MP	La2Th2O7	data_[La2Th2O7] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Th 1.3000 1.8000 1.0800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [3.9928] _cell_length_b [3.9928] _cell_length_c [11.4544] _ce...	2.923	0.058	0.5421	0.061
MP	Na2Fe2P2O8F	data_[Na8Fe8P8O32F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Fe 1.8300 1.4000 0.8525 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 [Pbcn] _cell_length_a [...	0.69	0.071	0.252	0.0714
MP	K3AlP2	data_[K24Al8P16] 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 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.9465] _cell_length_b [11.9480] _cell_length_c [15.3021] _cel...	0.971	0.0	0.3096	0.0
MP	Ca2Sb2O7	data_[Ca8Sb8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.4048] _cell_length_b [10.3474] _cell_length_c [7.5605] _ce...	1.743	0.0	0.4252	0.0
MP	CsVH12(C2O7)2	data_[Cs2V2H24C8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [9.2...	2.574	0.023	0.5123	0.0295
MP	Cs2LuAgCl6	data_[Cs8Lu4Ag4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Lu 1.2700 1.7500 1.0010 Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.7705] _cell_length_b [...	3.705	0.0	0.599	0.0
MP	Zn15Te5As2P8(Pb3O14)5	data_[Zn15Te5As2P8Pb15O70] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Te 2.1000 1.4000 1.2933 As 2.1800 1.1500 0.6600 P 2.1900 1.0000 0.5500 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_gr...	3.187	0.002	0.5626	0.0042
MP	NaLuCl4	data_[Na4Lu4Cl16] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [6.3448] _cell_length_b [16.0674] _cell_length_c [6.6213] _...	5.16	0.0	0.681	0.0
MP	Li2Sn(PO3)5	data_[Li4Sn2P10O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.4173] _cell_length_b [13....	0.113	0.065	0.0707	0.0667
MP	Li3Bi(BO3)2	data_[Li6Bi2B4O12] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.1064] _cell_length_b [7.1189]...	2.905	0.046	0.5406	0.0509
MP	AlPO4	data_[Al3P3O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3_221] _cell_length_a [5.0550] _cell_length_b [5.0550] _cell_length_c [11.1644] _ce...	5.618	0.0	0.7024	0.0
MP	TlCNO	data_[Tl4C4N4O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ima2] _cell_length_a [7.4027] _cell_length_b [6.3333] _...	2.526	0.016	0.5079	0.0221
MP	Ba2BrN	data_[Ba6Br3N3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Br 2.9600 1.1500 0.8825 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.1958] _cell_length_b [4.1958] _cell_length_c [23.9484] _cel...	1.138	0.0	0.3389	0.0
MP	NaCdSbS3	data_[Na8Cd8Sb8S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cd 1.6900 1.5500 1.0900 Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.2363] _cell_length_b [8.31...	1.524	0.028	0.3969	0.0345
MP	Cs2RbScBr6	data_[Cs8Rb4Sc4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Rb 0.8200 2.3500 1.6600 Sc 1.3600 1.6000 0.8850 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.8967] _cell_length_b [...	3.272	0.022	0.5689	0.0285
MP	Na2Ca2Zr2MnFeSi4O17F	data_[Na4Ca4Zr4Mn2Fe2Si8O34F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0...	1.738	0.036	0.4246	0.042
MP	CsCdBr3	data_[Cs1Cd1Br3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cd 1.6900 1.5500 1.0900 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [5.6232] _cell_length_b [5.6232] _cell_length_c [5.6232] _c...	0.697	0.033	0.2536	0.0392
MP	Bi2P4O13	data_[Bi8P16O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.1600] _cell_length_b [6.9852] _cell_length_c [13.3908] _ce...	4.517	0.0	0.6478	0.0
MP	Li6Cr3Sb3O16	data_[Li12Cr6Sb6O32] 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 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.4575] _cell_length_b [6.07...	0.547	0.079	0.2174	0.0775
MP	MgCl6	data_[Mg2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [10.1908] _cell_length_b [15.7852] _cell_length_c [47.4068] _cell_angle_alpha [90.0000] _ce...	0.067	0.511	0.0473	0.3
MP	Ho2SiO5	data_[Ho8Si4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 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 [9.1235] _cell_length_b [6.8476] _cell_length_c [6.7237] _c...	4.702	0.0	0.6578	0.0
MP	Li4V3OF11	data_[Li8V6O2F22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.2825] _cell_length_b [5.5133] _...	1.807	0.051	0.433	0.0552
MP	AgBiI4	data_[Ag4Bi4I16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Bi 2.0200 1.6000 1.0350 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [8.8048] _cell_length_b [8.9283] _cell_length_c [12.8731] _ce...	1.046	0.042	0.3231	0.0474
MP	K4Zn(WO4)3	data_[K8Zn2W6O24] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.0652] _cell_length_b [9.9992] _...	4.31	0.021	0.6362	0.0275
MP	Na3Mg4(MoO4)6	data_[Na3Mg4Mo6O24] 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 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.1061] _cell_length_b [8.813...	0.008	0.024	0.0088	0.0305
MP	Li4Co2OF7	data_[Li8Co4O2F14] 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 [Pc] _cell_length_a [5.9006] _cell_length_b [6.0275] ...	1.409	0.035	0.3808	0.0411
MP	LiDySe2	data_[Li3Dy3Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Dy 1.2200 1.7500 1.1310 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.0689] _cell_length_b [4.0689] _cell_length_c [19.5129] _c...	1.535	0.0	0.3984	0.0
MP	Mg3Co2O7	data_[Mg12Co8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [17.4476] _cell_length_b [5.0140] _cell_length_c [5.3247] _cel...	0.269	0.09	0.134	0.0857
MP	Na3ZrNi(PO4)3	data_[Na12Zr4Ni4P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zr 1.3300 1.5500 0.8600 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 [P1] _cell_length_a...	3.798	0.013	0.6051	0.0188
MP	ThV2PbO8	data_[Th2V4Pb2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Th 1.3000 1.8000 1.0800 V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [7.5295] _cell_length_b [7.529...	2.432	0.0	0.4992	0.0
MP	W4NO12	data_[W12N3O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-31m] _cell_length_a [7.5291] _cell_length_b [7.5291] _cell_length_c [15.4034] _cell...	1.233	0.321	0.3543	0.2189
MP	RbTa(CuTe2)2	data_[Rb4Ta4Cu8Te16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ta 1.5000 1.4500 0.8200 Cu 1.9000 1.3500 0.8200 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [8.2506] _cell_length_b [...	1.198	0.0	0.3487	0.0
MP	Rb2TeBr6	data_[Rb4Te2Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Te 2.1000 1.4000 1.2933 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [7.8290] _cell_length_b [7.8290] _cell_length_c [11.2270] _...	2.101	0.0	0.4661	0.0
MP	Rb2Ag2GeS4	data_[Rb8Ag8Ge4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ag 1.9300 1.6000 1.0867 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.6534] _cell_length_b [22.5...	1.907	0.0	0.4447	0.0
MP	CsReBr4	data_[Cs8Re8Br32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Re 1.9000 1.3500 0.7125 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [10.6016] _cell_length_b [13.0694] _cell_length_c [13.5651]...	0.405	0.0	0.1781	0.0
MP	Ca2H2S2O9	data_[Ca12H12S12O54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 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 [C2] _cell_length_a [17.5771] _cell_length_b [7.0422...	5.758	0.02	0.7087	0.0264
MP	Rb3Sc(HO)6	data_[Rb18Sc6H36O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sc 1.3600 1.6000 0.8850 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [11.5619] _cell_length_b [11....	3.597	0.02	0.5918	0.0264
MP	SrNd4Si3O13	data_[Sr2Nd8Si6O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Nd 1.1400 1.8500 1.2765 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [9.6785] _cell_length_b [9.67...	4.68	0.0	0.6566	0.0
MP	K2VAgSe4	data_[K16V8Ag8Se32] 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 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [6.0278] _cell_length_b [13.64...	0.984	0.0	0.312	0.0
MP	FeP6(WO8)3	data_[Fe3P18W9O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.7721] _cell_length_b [8.7721] _...	2.093	0.0	0.4652	0.0
MP	LiMo2P3O13	data_[Li4Mo8P12O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [6.4886] _cell_length_b [18.77...	2.263	0.059	0.4828	0.0618
MP	Nb3Br8	data_[Nb18Br48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.1801] _cell_length_b [7.1801] _cell_length_c [42.2373] _cell_angle_alpha [90.0000] _cel...	0.031	0.0	0.0259	0.0
MP	LiMnF3	data_[Li4Mn4F12] 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 [P2_13] _cell_length_a [6.2084] _cell_length_b [6.2084] _cell_length_c [6.2084] _ce...	3.545	0.046	0.5883	0.0509
MP	Dy2Se3	data_[Dy8Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.1621] _cell_length_b [4.0290] _cell_length_c [11.0008] _cell_angle_alpha [90.0000] _cel...	0.366	0.0	0.1662	0.0
MP	Cs3CoI5	data_[Cs12Co4I20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Co 1.8800 1.3500 0.7683 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [10.1938] _cell_length_b [11.7861] _cell_length_c [15.0626] ...	0.929	0.0	0.3017	0.0

MP

CaMgAg2

data_[Ca2Mg2Ag4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mg 1.3100 1.5000 0.8600 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.4767] _cell_length_b [12.5491] _cell_length_c [17.7319] ...

0.261

1.34

0.1311

0.5348

MP

Gd2Mo4O15

data_[Gd6Mo12O45] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.4734] _cell_length_b [11.0785] _cell_length_c [11.6377] _c...

2.509

0.006

0.5064

0.0101

MP

NdEu2TaO6

data_[Nd4Eu8Ta4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Eu 1.2000 1.8500 1.1985 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.5847] _cell_length_b [8.5...

1.252

0.136

0.3573

0.1172

MP

Li2FePCO7

data_[Li8Fe4P4C4O28] 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/c] _cell_length_a...

2.067

0.022

0.4625

0.0285

MP

Li3Mo3(PO4)4

data_[Li6Mo6P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [7.7453] _cell_length_b [8.3694...

2.689

0.03

0.5225

0.0364

MP

K2LiVS4

data_[K16Li8V8S32] 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 V 1.6300 1.3500 0.7775 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [10.7002] _cell_length_b [8.5211] ...

1.602

0.0

0.4073

0.0

MP

LiNi(PO3)3

data_[Li4Ni4P12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.3578] _cell_length_b [9.4330...

2.996

0.051

0.5479

0.0552

MP

Li4V3Ni2Sb3O16

data_[Li8V6Ni4Sb6O32] 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 Ni 1.9100 1.3500 0.7400 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [...

0.011

0.062

0.0114

0.0643

MP

ScPaO4

data_[Sc1Pa1O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Pa 1.5000 1.8000 1.0400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7355] _cell_length_b [3.7355] _cell_length_c [5.2120] _ce...

2.494

0.0

0.505

0.0

MP

K2Ag(AsSe2)3

data_[K8Ag4As12Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ag 1.9300 1.6000 1.0867 As 2.1800 1.1500 0.6600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.9332] _cell_length_b [...

1.401

0.0

0.3797

0.0

MP

Pm2O3

data_[Pm12O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pm 1.1300 1.8500 1.1100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [14.4808] _cell_length_b [3.6550] _cell_length_c [8.9733] _cell_angle_alpha [90.0000] _cell_...

3.702

0.012

0.5988

0.0176

MP

MgSiO3

data_[Mg64Si64O192] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [16.4395] _cell_length_b [11.5606] _cell_length_c [16.3965] ...

4.699

0.103

0.6576

0.095

MP

Rb2Zn3O4

data_[Rb8Zn12O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [15.4827] _cell_length_b [6.6087] _cell_length_c [5.8701] _c...

1.412

0.0

0.3813

0.0

MP

Tb6CoBr10

data_[Tb6Co1Br10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Co 1.8800 1.3500 0.7683 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.3940] _cell_length_b [9.1524] _cell_length_c [9.2394] _ce...

0.003

0.0

0.004

0.0

MP

LiAl(MoO4)2

data_[Li2Al2Mo4O16] 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 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.7259] _cell_length_b [7.133...

3.625

0.014

0.5937

0.0199

MP

Mn6OF11

data_[Mn24O4F44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [7.5091] _cell_length_b [7.3969] _cell_length_c [15.6225] _cell_...

0.097

0.0629

0.0907

MP

Ho2P4O13

data_[Ho8P16O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.8601] _cell_length_b [9.6070] _cell_length_c [13.9609] _c...

5.433

0.018

0.694

0.0243

MP

Ba2MnSi2ClO7

data_[Ba4Mn2Si4Cl2O14] 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 Si 1.9000 1.1000 0.5400 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4bm] _cell_length...

1.473

0.0

0.3899

0.0

MP

LiMn2Cr2O8

data_[Li4Mn8Cr8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.8626] _cell_length_b [10.119...

0.642

0.124

0.2409

0.1093

MP

Tl2S

data_[Tl6S3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P3] _cell_length_a [7.2942] _cell_length_b [7.2942] _cell_length_c [6.2648] _cell_angle_alpha [90.0000] _cell_angle...

0.958

0.002

0.3071

0.0042

MP

In2H10S3O17

data_[In4H20S6O34] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.8214] _cell_length_b [10.9541]...

4.131

0.0

0.6257

0.0

MP

Li2CoP2O7

data_[Li4Co2P4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-42_1m] _cell_length_a [7.6860] _cell_length_b [7.6...

3.283

0.068

0.5698

0.069

MP

CuSb6(SO8)2

data_[Cu1Sb6S2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.6360] _cell_length_b [7.8132]...

0.423

0.0

0.1834

0.0

MP

SmP2H16C6NO13

data_[Sm4P8H64C24N4O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_na...

3.667

0.162

0.5965

0.1336

MP

Si2Ag6O7

data_[Si12Ag36O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.0115] _cell_length_b [9.9247] _cell_length_c [10.8565] ...

0.174

0.047

0.0977

0.0518

MP

Ti3Co2P6WO24

data_[Ti9Co6P18W3O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8...

0.356

0.23

0.1631

0.1727

MP

Ba2CaFe2CuF14

data_[Ba8Ca4Fe8Cu4F56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ca 1.0000 1.8000 1.1400 Fe 1.8300 1.4000 0.8525 Cu 1.9000 1.3500 0.8200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length...

1.515

0.006

0.3957

0.0101

MP

Al5(CoO4)3

data_[Al20Co12O48] 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 [C2/m] _cell_length_a [9.9728] _cell_length_b [5.7431] _cell_length_c [13.9900] _...

0.321

0.081

0.1518

0.079

MP

RhC8N4Cl7

data_[Rh2C16N8Cl14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rh 2.2800 1.3500 0.7450 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_12_12] _cell_length_a [8.9666] _cell_length_b [1...

0.445

1.088

0.1898

0.4766

MP

Li2VCo3O8

data_[Li4V2Co6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [5.7062] _cell_length_b [5.70...

0.383

0.048

0.1715

0.0526

MP

CsTi2P3(O5F2)2

data_[Cs2Ti4P6O20F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ti 1.5400 1.4000 0.8517 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 [P2/c] _cell_length_a [...

2.722

0.0

0.5253

0.0

MP

NaCu3O2

data_[Na8Cu24O16] 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 [Pbca] _cell_length_a [7.4582] _cell_length_b [14.3436] _cell_length_c [7.4868] _c...

1.238

0.051

0.3551

0.0552

MP

CeSe2

data_[Ce24Se48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [17.5423] _cell_length_b [17.5423] _cell_length_c [17.5423] _cell_angle_alpha [90.0000] _c...

1.013

0.534

0.3172

0.3088

MP

DyZr9Si9PO40

data_[Dy4Zr36Si36P4O160] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C222] _cell_lengt...

3.967

0.011

0.6157

0.0164

MP

CsAlH24(SO10)2

data_[Cs4Al4H96S8O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Al 1.6100 1.2500 0.6750 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 [Pa-3] _cell_length_a ...

5.279

0.0

0.6868

0.0

MP

ErTeAs

data_[Er4Te4As4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Te 2.1000 1.4000 1.2933 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.5085] _cell_length_b [4.0542] _cell_length_c [9.8621] _ce...

0.362

0.0

0.165

0.0

MP

La3CuSnSe7

data_[La6Cu2Sn2Se14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cu 1.9000 1.3500 0.8200 Sn 1.9600 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.8065] _cell_length_b [1...

1.209

0.0

0.3505

0.0

MP

ZnCoO2

data_[Zn4Co4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 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 [5.3226] _cell_length_b [3.0093] _cell_length_c [10.0414] _cel...

0.925

0.114

0.3009

0.1026

MP

Pr2SiC(NO2)2

data_[Pr4Si2C2N4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6....

3.897

0.0

0.6114

0.0

MP

CsSbC6Cl5

data_[Cs2Sb2C12Cl10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Sb 2.0500 1.4500 0.8300 C 2.5500 0.7000 0.3000 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [7.4719] _cell_length_b [1...

0.367

0.87

0.1665

0.4186

MP

Cd2MoWO8

data_[Cd4Mo2W2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 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 [I-4] _cell_length_a [5.2722] _cell_length_b [5.2722]...

2.711

0.046

0.5244

0.0509

MP

V3Fe(PO4)6

data_[V9Fe3P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.5412] _cell_length_b [8.5412] _...

1.192

0.019

0.3478

0.0254

MP

Li3CrBPO7

data_[Li6Cr2B2P2O14] 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 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a...

3.318

0.077

0.5723

0.076

MP

Mg(FeO2)2

data_[Mg6Fe12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.9878] _cell_length_b [6.0007] _cell_length_c [14.6418] _cel...

1.515

0.113

0.3957

0.1019

MP

LaGd(BrO)2

data_[La1Gd1Br2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Gd 1.2000 1.8000 1.0750 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4mm] _cell_length_a [4.0346] _cell_length_b [4.034...

2.753

0.016

0.528

0.0221

MP

Pr2Pb17Se20

data_[Pr4Pb34Se40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Pb 2.3300 1.8000 1.1225 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [19.1128] _cell_length_b [4.4082] _cell_length_c [29.1794]...

0.69

0.014

0.252

0.0199

MP

Mg30ZnBiO32

data_[Mg30Zn1Bi1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6444] _cell_length_b [8...

0.184

0.085

0.1018

0.082

MP

LuGaO3

data_[Lu2Ga2O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.4579] _cell_length_b [3.4579] _cell_length_c [11.7053] ...

2.513

0.021

0.5068

0.0275

MP

TlFeO2

data_[Tl8Fe8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [8.6177] _cell_length_b [8.6177] _cell_length_c [8.6177] _ce...

1.019

0.207

0.3183

0.16

MP

LiV2O5

data_[Li2V4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [3.6222] _cell_length_b [11.4892] _cell_length_c [4.7274] _cell...

0.337

0.095

0.157

0.0893

MP

Mn2Sb2O7

data_[Mn12Sb12O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3_121] _cell_length_a [7.3337] _cell_length_b [7.3337] _cell_length_c [17.5517]...

0.303

0.025

0.1458

0.0315

MP

MoCl3

data_[Mo8Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.8172] _cell_length_b [10.1036] _cell_length_c [13.0937] _cell_angle_alpha [90.0000] _cel...

0.294

0.053

0.1427

0.0569

MP

HoOF

data_[Ho6O6F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.8030] _cell_length_b [3.8030] _cell_length_c [18.9841] _cell_...

5.089

0.0

0.6776

0.0

MP

K6Na2MnH24(WO6)6

data_[K18Na6Mn3H72W18O108] 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 Mn 1.5500 1.4000 0.6483 H 2.2000 0.2500 0.0000 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_grou...

1.885

0.008

0.4421

0.0128

MP

Li4VF8

data_[Li16V4F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.4762] _cell_length_b [9.4515] _cell_length_c [5.6674] _cell...

2.112

0.089

0.4673

0.0849

MP

La2Th2O7

data_[La2Th2O7] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Th 1.3000 1.8000 1.0800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [3.9928] _cell_length_b [3.9928] _cell_length_c [11.4544] _ce...

2.923

0.058

0.5421

0.061

MP

Na2Fe2P2O8F

data_[Na8Fe8P8O32F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Fe 1.8300 1.4000 0.8525 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 [Pbcn] _cell_length_a [...

0.69

0.071

0.252

0.0714

MP

K3AlP2

data_[K24Al8P16] 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 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.9465] _cell_length_b [11.9480] _cell_length_c [15.3021] _cel...

0.971

0.0

0.3096

0.0

MP

Ca2Sb2O7

data_[Ca8Sb8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.4048] _cell_length_b [10.3474] _cell_length_c [7.5605] _ce...

1.743

0.0

0.4252

0.0

MP

CsVH12(C2O7)2

data_[Cs2V2H24C8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [9.2...

2.574

0.023

0.5123

0.0295

MP

Cs2LuAgCl6

data_[Cs8Lu4Ag4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Lu 1.2700 1.7500 1.0010 Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.7705] _cell_length_b [...

3.705

0.0

0.599

0.0

MP

Zn15Te5As2P8(Pb3O14)5

data_[Zn15Te5As2P8Pb15O70] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Te 2.1000 1.4000 1.2933 As 2.1800 1.1500 0.6600 P 2.1900 1.0000 0.5500 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_gr...

3.187

0.002

0.5626

0.0042

MP

NaLuCl4

data_[Na4Lu4Cl16] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [6.3448] _cell_length_b [16.0674] _cell_length_c [6.6213] _...

5.16

0.0

0.681

0.0

MP

Li2Sn(PO3)5

data_[Li4Sn2P10O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.4173] _cell_length_b [13....

0.113

0.065

0.0707

0.0667

MP

Li3Bi(BO3)2

data_[Li6Bi2B4O12] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.1064] _cell_length_b [7.1189]...

2.905

0.046

0.5406

0.0509

MP

AlPO4

data_[Al3P3O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3_221] _cell_length_a [5.0550] _cell_length_b [5.0550] _cell_length_c [11.1644] _ce...

5.618

0.0

0.7024

0.0

MP

TlCNO

data_[Tl4C4N4O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ima2] _cell_length_a [7.4027] _cell_length_b [6.3333] _...

2.526

0.016

0.5079

0.0221

MP

Ba2BrN

data_[Ba6Br3N3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Br 2.9600 1.1500 0.8825 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.1958] _cell_length_b [4.1958] _cell_length_c [23.9484] _cel...

1.138

0.0

0.3389

0.0

MP

NaCdSbS3

data_[Na8Cd8Sb8S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cd 1.6900 1.5500 1.0900 Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.2363] _cell_length_b [8.31...

1.524

0.028

0.3969

0.0345

MP

Cs2RbScBr6

data_[Cs8Rb4Sc4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Rb 0.8200 2.3500 1.6600 Sc 1.3600 1.6000 0.8850 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.8967] _cell_length_b [...

3.272

0.022

0.5689

0.0285

MP

Na2Ca2Zr2MnFeSi4O17F

data_[Na4Ca4Zr4Mn2Fe2Si8O34F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0...

1.738

0.036

0.4246

0.042

MP

CsCdBr3

data_[Cs1Cd1Br3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cd 1.6900 1.5500 1.0900 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [5.6232] _cell_length_b [5.6232] _cell_length_c [5.6232] _c...

0.697

0.033

0.2536

0.0392

MP

Bi2P4O13

data_[Bi8P16O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.1600] _cell_length_b [6.9852] _cell_length_c [13.3908] _ce...

4.517

0.0

0.6478

0.0

MP

Li6Cr3Sb3O16

data_[Li12Cr6Sb6O32] 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 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.4575] _cell_length_b [6.07...

0.547

0.079

0.2174

0.0775

MP

MgCl6

data_[Mg2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [10.1908] _cell_length_b [15.7852] _cell_length_c [47.4068] _cell_angle_alpha [90.0000] _ce...

0.067

0.511

0.0473

0.3

MP

Ho2SiO5

data_[Ho8Si4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 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 [9.1235] _cell_length_b [6.8476] _cell_length_c [6.7237] _c...

4.702

0.0

0.6578

0.0

MP

Li4V3OF11

data_[Li8V6O2F22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.2825] _cell_length_b [5.5133] _...

1.807

0.051

0.433

0.0552

MP

AgBiI4

data_[Ag4Bi4I16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Bi 2.0200 1.6000 1.0350 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [8.8048] _cell_length_b [8.9283] _cell_length_c [12.8731] _ce...

1.046

0.042

0.3231

0.0474

MP

K4Zn(WO4)3

data_[K8Zn2W6O24] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.0652] _cell_length_b [9.9992] _...

4.31

0.021

0.6362

0.0275

MP

Na3Mg4(MoO4)6

data_[Na3Mg4Mo6O24] 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 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.1061] _cell_length_b [8.813...

0.008

0.024

0.0088

0.0305

MP

Li4Co2OF7

data_[Li8Co4O2F14] 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 [Pc] _cell_length_a [5.9006] _cell_length_b [6.0275] ...

1.409

0.035

0.3808

0.0411

MP

LiDySe2

data_[Li3Dy3Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Dy 1.2200 1.7500 1.1310 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.0689] _cell_length_b [4.0689] _cell_length_c [19.5129] _c...

1.535

0.0

0.3984

0.0

MP

Mg3Co2O7

data_[Mg12Co8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [17.4476] _cell_length_b [5.0140] _cell_length_c [5.3247] _cel...

0.269

0.09

0.134

0.0857

MP

Na3ZrNi(PO4)3

data_[Na12Zr4Ni4P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zr 1.3300 1.5500 0.8600 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 [P1] _cell_length_a...

3.798

0.013

0.6051

0.0188

MP

ThV2PbO8

data_[Th2V4Pb2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Th 1.3000 1.8000 1.0800 V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [7.5295] _cell_length_b [7.529...

2.432

0.0

0.4992

0.0

MP

W4NO12

data_[W12N3O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-31m] _cell_length_a [7.5291] _cell_length_b [7.5291] _cell_length_c [15.4034] _cell...

1.233

0.321

0.3543

0.2189

MP

RbTa(CuTe2)2

data_[Rb4Ta4Cu8Te16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ta 1.5000 1.4500 0.8200 Cu 1.9000 1.3500 0.8200 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [8.2506] _cell_length_b [...

1.198

0.0

0.3487

0.0

MP

Rb2TeBr6

data_[Rb4Te2Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Te 2.1000 1.4000 1.2933 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [7.8290] _cell_length_b [7.8290] _cell_length_c [11.2270] _...

2.101

0.0

0.4661

0.0

MP

Rb2Ag2GeS4

data_[Rb8Ag8Ge4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ag 1.9300 1.6000 1.0867 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.6534] _cell_length_b [22.5...

1.907

0.0

0.4447

0.0

MP

CsReBr4

data_[Cs8Re8Br32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Re 1.9000 1.3500 0.7125 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [10.6016] _cell_length_b [13.0694] _cell_length_c [13.5651]...

0.405

0.0

0.1781

0.0

MP

Ca2H2S2O9

data_[Ca12H12S12O54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 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 [C2] _cell_length_a [17.5771] _cell_length_b [7.0422...

5.758

0.02

0.7087

0.0264

MP

Rb3Sc(HO)6

data_[Rb18Sc6H36O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sc 1.3600 1.6000 0.8850 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [11.5619] _cell_length_b [11....

3.597

0.02

0.5918

0.0264

MP

SrNd4Si3O13

data_[Sr2Nd8Si6O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Nd 1.1400 1.8500 1.2765 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [9.6785] _cell_length_b [9.67...

4.68

0.0

0.6566

0.0

MP

K2VAgSe4

data_[K16V8Ag8Se32] 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 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [6.0278] _cell_length_b [13.64...

0.984

0.0

0.312

0.0

MP

FeP6(WO8)3

data_[Fe3P18W9O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.7721] _cell_length_b [8.7721] _...

2.093

0.0

0.4652

0.0

MP

LiMo2P3O13

data_[Li4Mo8P12O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [6.4886] _cell_length_b [18.77...

2.263

0.059

0.4828

0.0618

MP

Nb3Br8

data_[Nb18Br48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.1801] _cell_length_b [7.1801] _cell_length_c [42.2373] _cell_angle_alpha [90.0000] _cel...

0.031

0.0

0.0259

0.0

MP

LiMnF3

data_[Li4Mn4F12] 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 [P2_13] _cell_length_a [6.2084] _cell_length_b [6.2084] _cell_length_c [6.2084] _ce...

3.545

0.046

0.5883

0.0509

MP

Dy2Se3

data_[Dy8Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.1621] _cell_length_b [4.0290] _cell_length_c [11.0008] _cell_angle_alpha [90.0000] _cel...

0.366

0.0

0.1662

0.0

MP

Cs3CoI5

data_[Cs12Co4I20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Co 1.8800 1.3500 0.7683 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [10.1938] _cell_length_b [11.7861] _cell_length_c [15.0626] ...

0.929

0.0

0.3017

0.0