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	Cs6Mo4C10S2O27	data_[Cs24Mo16C40S8O108] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_leng...	0.076	0.181	0.0522	0.145
MP	Sb3Ir	data_[Sb24Ir8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Im-3] _cell_length_a [9.3946] _cell_length_b [9.3946] _cell_length_c [9.3946] _cell_angle_alpha [90.0000] _cell_...	0.054	0.0	0.04	0.0
MP	TeAuCl7	data_[Te2Au2Cl14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Au 2.5400 1.3500 1.0700 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.9762] _cell_length_b [8.3741] _cell_length_c [9.5300] _ce...	1.551	0.0	0.4006	0.0
MP	SbO2	data_[Sb8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [5.5816] _cell_length_b [11.9139] _cell_length_c [4.9132] _cell_angle_alpha [90.0000] _cell_a...	1.914	0.005	0.4455	0.0088
MP	Sc5(SiN3)3	data_[Sc40Si24N72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [10.2774] _cell_length_b [10.5334] _cell_length_c [14.6657]...	1.55	0.275	0.4004	0.1963
MP	Ba2PuTiO6	data_[Ba8Pu4Ti4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Pu 1.2800 1.7500 0.9675 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.4305] _cell_length_b [8.4...	0.233	0.026	0.1209	0.0325
MP	LiMn(PO3)3	data_[Li4Mn4P12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.1978] _cell_length_b [7.405...	4.315	0.053	0.6364	0.0569
MP	K2NaTlI6	data_[K8Na4Tl4I24] 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 Tl 1.6200 1.9000 1.3325 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [12.2803] _cell_length_b [12.2...	0.075	0.128	0.0516	0.112
MP	NaCaFe2(SiO3)4	data_[Na2Ca2Fe4Si8O24] 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 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2] _cell_length_a...	1.605	0.009	0.4077	0.014
MP	Tl6Si2O7	data_[Tl12Si4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [9.9327] _cell_length_b [9.9327] _cell_length_c [8.1106] _cel...	1.588	0.0	0.4055	0.0
MP	CrFe2(PO4)3	data_[Cr6Fe12P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [R-3c] _cell_length_a [8.6143] _cell_length_b [8.61...	2.006	0.054	0.4558	0.0577
MP	GdP5O14	data_[Gd4P20O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 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 [8.8568] _cell_length_b [9.0642] _cell_length_c [13.0633] _c...	3.181	0.0	0.5622	0.0
MP	LaCd(BO2)5	data_[La4Cd4B20O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cd 1.6900 1.5500 1.0900 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.8833] _cell_length_b [7.9...	4.453	0.0	0.6442	0.0
MP	Sm2Te4O11	data_[Sm8Te16O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.6634] _cell_length_b [5.2569] _cell_length_c [16.5673] _...	3.287	0.0	0.57	0.0
MP	Cs2Ca2Be3F12	data_[Cs8Ca8Be12F48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ca 1.0000 1.8000 1.1400 Be 1.5700 1.0500 0.5900 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [10.8176] _cell_length_b [1...	7.216	0.0	0.7661	0.0
MP	PrN	data_[Pr2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.4574] _cell_length_b [4.4574] _cell_length_c [3.7139] _cell_angle_alpha [90.0000] _cell_a...	1.128	0.272	0.3372	0.1948
MP	BeF2	data_[Be2F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [4.5973] _cell_length_b [7.3571] _cell_length_c [2.3959] _cell_angle_alpha [90.0000] _cell_ang...	6.267	0.481	0.7301	0.2883
MP	Li2Cr(CO3)2	data_[Li16Cr8C16O48] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [10.8995] _cell_length_b [16....	3.391	0.065	0.5775	0.0667
MP	K2Sn3(SbS5)2	data_[K4Sn6Sb4S20] 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 Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.9135] _cell_length_b [13.5...	1.817	0.0	0.4342	0.0
MP	UBi4(AsO8)2	data_[U1Bi4As2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 Bi 2.0200 1.6000 1.0350 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.5980] _cell_length_b [6.7049]...	1.123	0.079	0.3364	0.0775
MP	YCuS2	data_[Y4Cu4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.4888] _cell_length_b [3.9622] _cell_length_c [6.2650] _cell_...	1.595	0.0	0.4064	0.0
MP	RbCoNiF6	data_[Rb4Co4Ni4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Co 1.8800 1.3500 0.7683 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.3018] _cell_length_b [7.37...	0.937	0.0	0.3032	0.0
MP	GdTl(WO4)2	data_[Gd4Tl4W8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Tl 1.6200 1.9000 1.3325 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.9489] _cell_length_b [10.76...	2.949	0.0	0.5442	0.0
MP	LiMnV(P2O7)2	data_[Li2Mn2V2P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7....	1.298	0.003	0.3644	0.0058
MP	Sr3Tm3Al4Si8N17O4	data_[Sr6Tm6Al8Si16N34O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Tm 1.2500 1.7500 1.0950 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_gro...	1.612	0.446	0.4086	0.2742
MP	NaH4IO7	data_[Na1H4I1O7] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 H 2.2000 0.2500 0.0000 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.5424] _cell_length_b [5.7209] _ce...	0.999	0.166	0.3147	0.136
MP	SrB4O7	data_[Sr2B8O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [10.8391] _cell_length_b [4.4724] _cell_length_c [4.2803] _ce...	7.119	0.007	0.7626	0.0115
MP	Re2SCl12	data_[Re4S2Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [8.7276] _cell_length_b [11.3986] _cell_length_c [9.1531] _...	0.701	0.038	0.2545	0.0438
MP	H3CSNOF2	data_[H6C2S2N2O2F4] 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 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-...	4.805	0.446	0.6632	0.2742
MP	Cd4SiS6	data_[Cd16Si4S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Si 1.9000 1.1000 0.5400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [12.5819] _cell_length_b [7.1866] _cell_length_c [12.6152] _ce...	1.438	0.006	0.385	0.0101
MP	NaNdTi2O6	data_[Na2Nd2Ti4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nd 1.1400 1.8500 1.2765 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [7.7353] _cell_length_b [5....	2.14	0.011	0.4702	0.0164
MP	K2PH4S3O2	data_[K8P4H16S12O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 P 2.1900 1.0000 0.5500 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 [P2_1/c] _cell_length_a [8...	2.875	0.019	0.5382	0.0254
MP	NaPH4O5	data_[Na4P4H16O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [Pna2_1] _cell_length_a [7.6463] _cell_length_b [7.877...	5.457	0.007	0.6951	0.0115
MP	LiAlGa2	data_[Li2Al2Ga4] 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 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.3463] _cell_length_b [10.4503] _cell_length_c [14.7655] ...	0.654	1.378	0.2437	0.5428
MP	OsO2F3	data_[Os8O16F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.7636] _cell_length_b [10.3288] _cell_length_c [12.9098] _...	0.524	0.019	0.2114	0.0254
MP	LiFe2OF5	data_[Li8Fe16O8F40] 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 [Ama2] _cell_length_a [18.4435] _cell_length_b [6.68...	2.392	0.051	0.4954	0.0552
MP	CaAl2F8	data_[Ca4Al8F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [6.7311] _cell_length_b [11.1235] _cell_length_c [7.5493] _ce...	7.223	0.068	0.7663	0.069
MP	KV(CuS2)2	data_[K4V4Cu8S16] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [7.4346] _cell_length_b [18.0462]...	1.076	0.0	0.3284	0.0
MP	BaEr2Si3O10	data_[Ba2Er4Si6O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Er 1.2400 1.7500 1.0300 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.4227] _cell_length_b [12...	4.835	0.0	0.6647	0.0
MP	NaB6S4(Br3O4)2	data_[Na4B24S16Br24O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 B 2.0400 0.8500 0.4100 S 2.5800 1.0000 0.8800 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_lengt...	1.769	0.615	0.4284	0.3381
MP	Sr3Nb2CoO9	data_[Sr12Nb8Co4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Nb 1.6000 1.4500 0.8200 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.5275] _cell_length_b [...	0.198	0.443	0.1074	0.2729
MP	Li2VCrP2(HO5)2	data_[Li6V3Cr3P6H6O30] 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 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_na...	1.995	0.001	0.4546	0.0024
MP	Na3PH24SO15	data_[Na18P6H144S6O90] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 P 2.1900 1.0000 0.5500 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 [R32] _cell_length_a [...	0.793	0.181	0.2745	0.145
MP	NaAu(SO4)2	data_[Na2Au2S4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Au 2.5400 1.3500 1.0700 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [4.7977] _cell_length_b [8.61...	1.753	0.0	0.4264	0.0
MP	Tm(ClO4)3	data_[Tm2Cl6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [9.2239] _cell_length_b [9.2239] _cell_length_c [5.6758] _c...	5.08	0.021	0.6771	0.0275
MP	Si4CO13	data_[Si16C4O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.5550] _cell_length_b [13.1583] _cell_length_c [8.1101] _ce...	1.077	0.802	0.3285	0.3986
MP	Rb2GeF6	data_[Rb8Ge4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ge 2.0100 1.2500 0.7700 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.7300] _cell_length_b [8.7300] _cell_length_c [8.7300] _ce...	5.975	0.005	0.718	0.0088
MP	Ni(CO)6	data_[Ni4C24O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.0304] _cell_length_b [17.2439] _cell_length_c [18.1625] _ce...	0.375	1.524	0.169	0.5725
MP	Cr2(Bi2O5)3	data_[Cr8Bi24O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ccc2] _cell_length_a [12.7654] _cell_length_b [20.2042] _cell_length_c [5.9916] _...	2.408	0.0	0.4969	0.0
MP	TiP2PbO8	data_[Ti4P8Pb4O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 P 2.1900 1.0000 0.5500 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.8781] _cell_length_b [5.232...	2.587	0.0	0.5135	0.0
MP	H10C5SeS2N3Cl	data_[H80C40Se8S16N24Cl8] 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 Se 2.5500 1.1500 1.0133 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group...	2.626	0.218	0.5169	0.1661
MP	Li2Mn2CuO6	data_[Li8Mn8Cu4O24] 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 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [8.9024] _cell_length_b [5.01...	0.236	0.109	0.122	0.0992
MP	Al2O3	data_[Al4O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.8338] _cell_length_b [4.9360] _cell_length_c [9.0431] _cell_angle_alpha [81.6882] _cell_angl...	0.682	0.8	0.2502	0.398
MP	Na3YCl6	data_[Na9Y3Cl18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Y 1.2200 1.8000 1.0400 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [7.1395] _cell_length_b [7.1395] _cell_length_c [18.8826] _cel...	5.276	0.003	0.6866	0.0058
MP	Mn2Ru(CN)6	data_[Mn2Ru1C6N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Ru 2.2000 1.3000 0.6610 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-31m] _cell_length_a [6.0795] _cell_length_b [6.0795...	1.935	0.148	0.4479	0.1249
MP	MgU2P2(H10O11)2	data_[Mg2U4P4H40O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 U 1.3800 1.7500 0.9913 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a ...	2.436	0.0	0.4996	0.0
MP	Ba7SiN6	data_[Ba28Si4N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [12.5074] _cell_length_b [7.0125] _cell_length_c [14.3937] _...	0.85	0.073	0.2862	0.0729
MP	LiVSiO4	data_[Li4V4Si4O16] 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 [P2_1/c] _cell_length_a [5.1875] _cell_length_b [5.89...	2.392	0.083	0.4954	0.0805
MP	Gd2InSbO7	data_[Gd8In4Sb4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 In 1.7800 1.5500 0.9400 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.4148] _cell_length_b [7.59...	2.376	0.0	0.4939	0.0
MP	SbI3Cl8	data_[Sb1I3Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 I 2.6600 1.4000 1.2733 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.5772] _cell_length_b [7.8347] _cell_length_c [8.1252] _cell_...	1.21	0.0	0.3507	0.0
MP	Co2Ag3SbO6	data_[Co6Ag9Sb3O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Ag 1.9300 1.6000 1.0867 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3_112] _cell_length_a [5.4460] _cell_length_b [5....	0.38	0.015	0.1706	0.021
MP	Na22CaFe6P12(O8F)6	data_[Na22Ca1Fe6P12O48F6] 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 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_grou...	2.426	0.0	0.4986	0.0
MP	Li2VP3O10	data_[Li8V4P12O40] 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 [C2/c] _cell_length_a [14.3388] _cell_length_b [7.1799...	2.215	0.056	0.4779	0.0594
MP	HoAsSe	data_[Ho4As4Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 As 2.1800 1.1500 0.6600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [17.4588] _cell_length_b [3.9016] _cell_length_c [3.9180] _c...	0.21	0.0	0.1121	0.0
MP	RePCl8O	data_[Re4P4Cl32O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 P 2.1900 1.0000 0.5500 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [17.1142] _cell_length_b [8.397...	0.031	0.0	0.0259	0.0
MP	Mg7Mn5O12	data_[Mg7Mn5O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.0872] _cell_length_b [3.0872] _cell_length_c [30.3880] _ce...	1.403	0.05	0.38	0.0544
MP	Li3Mn(CoO3)2	data_[Li6Mn2Co4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.4791] _cell_length_b [3.0...	0.033	0.079	0.0272	0.0775
MP	ScBrO	data_[Sc2Br2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.6356] _cell_length_b [3.6356] _cell_length_c [8.5689] _ce...	3.345	0.071	0.5743	0.0714
MP	Sm2PbSe4	data_[Sm8Pb4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Pb 2.3300 1.8000 1.1225 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [9.0120] _cell_length_b [9.0120] _cell_length_c [8.9956] _...	1.766	0.045	0.428	0.0501
MP	K3ScI6	data_[K12Sc4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sc 1.3600 1.6000 0.8850 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [12.4585] _cell_length_b [12.4585] _cell_length_c [12.4585] _...	2.335	0.055	0.4899	0.0585
MP	Cu3Sb(PO4)4	data_[Cu3Sb1P4O16] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [4.8893] _cell_length_b [5.9783] ...	0.002	0.07	0.0029	0.0706
MP	Li3Cr3SiO8	data_[Li3Cr3Si1O8] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.0311] _cell_length_b [5.803...	3.078	0.051	0.5543	0.0552
MP	LiFeF4	data_[Li6Fe6F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9961] _cell_length_b [8.2337] _cell_length_c [9.7218] _cell...	2.776	0.073	0.5299	0.0729
MP	Zr2IrAu	data_[Zr4Ir2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ir 2.2000 1.3500 0.7650 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.2963] _cell_length_b [11.5031] _cell_length_c [16.1150] ...	0.07	3.214	0.0489	0.8144
MP	K2SbAuBr6	data_[K8Sb4Au4Br24] 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 Au 2.5400 1.3500 1.0700 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.2367] _cell_length_b [11...	0.238	0.065	0.1227	0.0667
MP	KSmS2O9	data_[K4Sm4S8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sm 1.1700 1.8500 1.2290 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.0071] _cell_length_b [8.801...	0.839	0.142	0.284	0.1211
MP	EuCl2	data_[Eu4Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.5458] _cell_length_b [4.5582] _cell_length_c [9.0412] _cell_angle_alpha [90.0000] _cell_a...	1.214	0.0	0.3513	0.0
MP	Cs3Ge4Au	data_[Cs6Ge8Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ge 2.0100 1.2500 0.7700 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [7.3424] _cell_length_b [13.2856] _cell_length_c [6.2485] _c...	0.932	0.0	0.3022	0.0
MP	La2Nb2N2O5	data_[La8Nb8N8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Nb 1.6000 1.4500 0.8200 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [10.7667] _cell_length_b [10.7856...	2.035	0.073	0.459	0.0729
MP	LiCo2OF3	data_[Li4Co8O4F12] 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 [P4_3] _cell_length_a [6.0929] _cell_length_b [6.0929...	2.105	0.088	0.4665	0.0842
MP	MgH6(CO3)2	data_[Mg4H24C8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [7.5585] _cell_length_b [8.7546]...	4.978	0.083	0.672	0.0805
MP	Nd4Ga2S5O4	data_[Nd32Ga16S40O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ga 1.8100 1.3000 0.7600 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [5.8297] _cell_length_b [18....	2.995	0.0	0.5478	0.0
MP	K2PH3SO8	data_[K8P4H12S4O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 P 2.1900 1.0000 0.5500 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 [7.51...	5.434	0.001	0.694	0.0024
MP	Rb2H8O5	data_[Rb16H64O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [15.0347] _cell_length_b [7.5148] _cell_length_c [14.9995] _cel...	3.617	0.058	0.5932	0.061
MP	K3TeP3O17	data_[K12Te4P12O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Te 2.1000 1.4000 1.2933 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [15.6746] _cell_length_b [7.6...	0.006	0.423	0.007	0.2646
MP	Li6Gd(BO3)3	data_[Li24Gd4B12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Gd 1.2000 1.8000 1.0750 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.3032] _cell_length_b [16...	0.13	0.003	0.0786	0.0058
MP	RbY(BH4)4	data_[Rb4Y4B16H64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Y 1.2200 1.8000 1.0400 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.4426] _cell_length_b [12.66...	6.138	0.0	0.7248	0.0
MP	LiCrS2	data_[Li1Cr1S2] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.5082] _cell_length_b [3.5082] _cell_length_c [5.9793] _cel...	0.646	0.0	0.2418	0.0
MP	Li2V(CO3)2	data_[Li32V16C32O96] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [15.1108] _cell_length_b [15.2...	2.127	0.069	0.4688	0.0698
MP	Rb3In(IO3)6	data_[Rb3In1I6O18] 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 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 [7.2173] _cell_length_b [7.2268]...	2.975	0.0	0.5462	0.0
MP	Ti3Cr(PO4)6	data_[Ti9Cr3P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.5888] _cell_length_b [8.5888]...	0.414	0.051	0.1808	0.0552
MP	Sr3LaTa3O12	data_[Sr9La3Ta9O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 La 1.1000 1.9500 1.1720 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.6871] _cell_length_b [5.687...	3.247	0.05	0.5671	0.0544
MP	V2OF6	data_[V4O2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.2741] _cell_length_b [6.8493] _cell_length_c [8.4268] _cell_angl...	0.141	0.093	0.0835	0.0879
MP	LiMn2OF3	data_[Li4Mn8O4F12] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_3] _cell_length_a [6.2773] _cell_length_b [6.2773...	1.369	0.102	0.375	0.0943
MP	La3SmV2Cr2O10	data_[La24Sm8V16Cr16O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Sm 1.1700 1.8500 1.2290 V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_...	0.322	0.262	0.1521	0.1897
MP	Li9Cr5O12	data_[Li18Cr10O24] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.1892] _cell_length_b [9.1083] _cell_length_c [10.0545] _...	1.439	0.066	0.3851	0.0675
MP	Li3VOF5	data_[Li6V2O2F10] 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 [Imm2] _cell_length_a [6.4215] _cell_length_b [6.4235] ...	2.99	0.096	0.5474	0.09
MP	Na2Al2Si3(HO3)4	data_[Na8Al8Si12H16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...	1.822	0.739	0.4348	0.3793
MP	Li4CuSi2O7	data_[Li16Cu4Si8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cu 1.9000 1.3500 0.8200 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [13.1919] _cell_length_b [5.44...	0.155	0.049	0.0896	0.0535
MP	Li3V2(O2F)2	data_[Li12V8O16F8] 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 [P1] _cell_length_a [5.9527] _cell_length_b [5.9768] _...	1.005	0.094	0.3158	0.0886

MP

Cs6Mo4C10S2O27

data_[Cs24Mo16C40S8O108] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_leng...

0.076

0.181

0.0522

0.145

MP

Sb3Ir

data_[Sb24Ir8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Im-3] _cell_length_a [9.3946] _cell_length_b [9.3946] _cell_length_c [9.3946] _cell_angle_alpha [90.0000] _cell_...

0.054

0.0

0.04

0.0

MP

TeAuCl7

data_[Te2Au2Cl14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Au 2.5400 1.3500 1.0700 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.9762] _cell_length_b [8.3741] _cell_length_c [9.5300] _ce...

1.551

0.0

0.4006

0.0

MP

SbO2

data_[Sb8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [5.5816] _cell_length_b [11.9139] _cell_length_c [4.9132] _cell_angle_alpha [90.0000] _cell_a...

1.914

0.005

0.4455

0.0088

MP

Sc5(SiN3)3

data_[Sc40Si24N72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [10.2774] _cell_length_b [10.5334] _cell_length_c [14.6657]...

1.55

0.275

0.4004

0.1963

MP

Ba2PuTiO6

data_[Ba8Pu4Ti4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Pu 1.2800 1.7500 0.9675 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.4305] _cell_length_b [8.4...

0.233

0.026

0.1209

0.0325

MP

LiMn(PO3)3

data_[Li4Mn4P12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.1978] _cell_length_b [7.405...

4.315

0.053

0.6364

0.0569

MP

K2NaTlI6

data_[K8Na4Tl4I24] 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 Tl 1.6200 1.9000 1.3325 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [12.2803] _cell_length_b [12.2...

0.075

0.128

0.0516

0.112

MP

NaCaFe2(SiO3)4

data_[Na2Ca2Fe4Si8O24] 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 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2] _cell_length_a...

1.605

0.009

0.4077

0.014

MP

Tl6Si2O7

data_[Tl12Si4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [9.9327] _cell_length_b [9.9327] _cell_length_c [8.1106] _cel...

1.588

0.0

0.4055

0.0

MP

CrFe2(PO4)3

data_[Cr6Fe12P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [R-3c] _cell_length_a [8.6143] _cell_length_b [8.61...

2.006

0.054

0.4558

0.0577

MP

GdP5O14

data_[Gd4P20O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 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 [8.8568] _cell_length_b [9.0642] _cell_length_c [13.0633] _c...

3.181

0.0

0.5622

0.0

MP

LaCd(BO2)5

data_[La4Cd4B20O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cd 1.6900 1.5500 1.0900 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.8833] _cell_length_b [7.9...

4.453

0.0

0.6442

0.0

MP

Sm2Te4O11

data_[Sm8Te16O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.6634] _cell_length_b [5.2569] _cell_length_c [16.5673] _...

3.287

0.0

0.57

0.0

MP

Cs2Ca2Be3F12

data_[Cs8Ca8Be12F48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ca 1.0000 1.8000 1.1400 Be 1.5700 1.0500 0.5900 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [10.8176] _cell_length_b [1...

7.216

0.0

0.7661

0.0

MP

PrN

data_[Pr2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.4574] _cell_length_b [4.4574] _cell_length_c [3.7139] _cell_angle_alpha [90.0000] _cell_a...

1.128

0.272

0.3372

0.1948

MP

BeF2

data_[Be2F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [4.5973] _cell_length_b [7.3571] _cell_length_c [2.3959] _cell_angle_alpha [90.0000] _cell_ang...

6.267

0.481

0.7301

0.2883

MP

Li2Cr(CO3)2

data_[Li16Cr8C16O48] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [10.8995] _cell_length_b [16....

3.391

0.065

0.5775

0.0667

MP

K2Sn3(SbS5)2

data_[K4Sn6Sb4S20] 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 Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.9135] _cell_length_b [13.5...

1.817

0.0

0.4342

0.0

MP

UBi4(AsO8)2

data_[U1Bi4As2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 Bi 2.0200 1.6000 1.0350 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.5980] _cell_length_b [6.7049]...

1.123

0.079

0.3364

0.0775

MP

YCuS2

data_[Y4Cu4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.4888] _cell_length_b [3.9622] _cell_length_c [6.2650] _cell_...

1.595

0.0

0.4064

0.0

MP

RbCoNiF6

data_[Rb4Co4Ni4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Co 1.8800 1.3500 0.7683 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.3018] _cell_length_b [7.37...

0.937

0.0

0.3032

0.0

MP

GdTl(WO4)2

data_[Gd4Tl4W8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Tl 1.6200 1.9000 1.3325 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.9489] _cell_length_b [10.76...

2.949

0.0

0.5442

0.0

MP

LiMnV(P2O7)2

data_[Li2Mn2V2P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7....

1.298

0.003

0.3644

0.0058

MP

Sr3Tm3Al4Si8N17O4

data_[Sr6Tm6Al8Si16N34O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Tm 1.2500 1.7500 1.0950 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_gro...

1.612

0.446

0.4086

0.2742

MP

NaH4IO7

data_[Na1H4I1O7] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 H 2.2000 0.2500 0.0000 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.5424] _cell_length_b [5.7209] _ce...

0.999

0.166

0.3147

0.136

MP

SrB4O7

data_[Sr2B8O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [10.8391] _cell_length_b [4.4724] _cell_length_c [4.2803] _ce...

7.119

0.007

0.7626

0.0115

MP

Re2SCl12

data_[Re4S2Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [8.7276] _cell_length_b [11.3986] _cell_length_c [9.1531] _...

0.701

0.038

0.2545

0.0438

MP

H3CSNOF2

data_[H6C2S2N2O2F4] 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 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-...

4.805

0.446

0.6632

0.2742

MP

Cd4SiS6

data_[Cd16Si4S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Si 1.9000 1.1000 0.5400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [12.5819] _cell_length_b [7.1866] _cell_length_c [12.6152] _ce...

1.438

0.006

0.385

0.0101

MP

NaNdTi2O6

data_[Na2Nd2Ti4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nd 1.1400 1.8500 1.2765 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [7.7353] _cell_length_b [5....

2.14

0.011

0.4702

0.0164

MP

K2PH4S3O2

data_[K8P4H16S12O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 P 2.1900 1.0000 0.5500 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 [P2_1/c] _cell_length_a [8...

2.875

0.019

0.5382

0.0254

MP

NaPH4O5

data_[Na4P4H16O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [Pna2_1] _cell_length_a [7.6463] _cell_length_b [7.877...

5.457

0.007

0.6951

0.0115

MP

LiAlGa2

data_[Li2Al2Ga4] 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 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.3463] _cell_length_b [10.4503] _cell_length_c [14.7655] ...

0.654

1.378

0.2437

0.5428

MP

OsO2F3

data_[Os8O16F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.7636] _cell_length_b [10.3288] _cell_length_c [12.9098] _...

0.524

0.019

0.2114

0.0254

MP

LiFe2OF5

data_[Li8Fe16O8F40] 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 [Ama2] _cell_length_a [18.4435] _cell_length_b [6.68...

2.392

0.051

0.4954

0.0552

MP

CaAl2F8

data_[Ca4Al8F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [6.7311] _cell_length_b [11.1235] _cell_length_c [7.5493] _ce...

7.223

0.068

0.7663

0.069

MP

KV(CuS2)2

data_[K4V4Cu8S16] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [7.4346] _cell_length_b [18.0462]...

1.076

0.0

0.3284

0.0

MP

BaEr2Si3O10

data_[Ba2Er4Si6O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Er 1.2400 1.7500 1.0300 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.4227] _cell_length_b [12...

4.835

0.0

0.6647

0.0

MP

NaB6S4(Br3O4)2

data_[Na4B24S16Br24O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 B 2.0400 0.8500 0.4100 S 2.5800 1.0000 0.8800 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_lengt...

1.769

0.615

0.4284

0.3381

MP

Sr3Nb2CoO9

data_[Sr12Nb8Co4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Nb 1.6000 1.4500 0.8200 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.5275] _cell_length_b [...

0.198

0.443

0.1074

0.2729

MP

Li2VCrP2(HO5)2

data_[Li6V3Cr3P6H6O30] 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 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_na...

1.995

0.001

0.4546

0.0024

MP

Na3PH24SO15

data_[Na18P6H144S6O90] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 P 2.1900 1.0000 0.5500 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 [R32] _cell_length_a [...

0.793

0.181

0.2745

0.145

MP

NaAu(SO4)2

data_[Na2Au2S4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Au 2.5400 1.3500 1.0700 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [4.7977] _cell_length_b [8.61...

1.753

0.0

0.4264

0.0

MP

Tm(ClO4)3

data_[Tm2Cl6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [9.2239] _cell_length_b [9.2239] _cell_length_c [5.6758] _c...

5.08

0.021

0.6771

0.0275

MP

Si4CO13

data_[Si16C4O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.5550] _cell_length_b [13.1583] _cell_length_c [8.1101] _ce...

1.077

0.802

0.3285

0.3986

MP

Rb2GeF6

data_[Rb8Ge4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ge 2.0100 1.2500 0.7700 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.7300] _cell_length_b [8.7300] _cell_length_c [8.7300] _ce...

5.975

0.005

0.718

0.0088

MP

Ni(CO)6

data_[Ni4C24O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.0304] _cell_length_b [17.2439] _cell_length_c [18.1625] _ce...

0.375

1.524

0.169

0.5725

MP

Cr2(Bi2O5)3

data_[Cr8Bi24O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ccc2] _cell_length_a [12.7654] _cell_length_b [20.2042] _cell_length_c [5.9916] _...

2.408

0.0

0.4969

0.0

MP

TiP2PbO8

data_[Ti4P8Pb4O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 P 2.1900 1.0000 0.5500 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.8781] _cell_length_b [5.232...

2.587

0.0

0.5135

0.0

MP

H10C5SeS2N3Cl

data_[H80C40Se8S16N24Cl8] 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 Se 2.5500 1.1500 1.0133 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group...

2.626

0.218

0.5169

0.1661

MP

Li2Mn2CuO6

data_[Li8Mn8Cu4O24] 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 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [8.9024] _cell_length_b [5.01...

0.236

0.109

0.122

0.0992

MP

Al2O3

data_[Al4O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.8338] _cell_length_b [4.9360] _cell_length_c [9.0431] _cell_angle_alpha [81.6882] _cell_angl...

0.682

0.8

0.2502

0.398

MP

Na3YCl6

data_[Na9Y3Cl18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Y 1.2200 1.8000 1.0400 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [7.1395] _cell_length_b [7.1395] _cell_length_c [18.8826] _cel...

5.276

0.003

0.6866

0.0058

MP

Mn2Ru(CN)6

data_[Mn2Ru1C6N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Ru 2.2000 1.3000 0.6610 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-31m] _cell_length_a [6.0795] _cell_length_b [6.0795...

1.935

0.148

0.4479

0.1249

MP

MgU2P2(H10O11)2

data_[Mg2U4P4H40O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 U 1.3800 1.7500 0.9913 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a ...

2.436

0.0

0.4996

0.0

MP

Ba7SiN6

data_[Ba28Si4N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [12.5074] _cell_length_b [7.0125] _cell_length_c [14.3937] _...

0.85

0.073

0.2862

0.0729

MP

LiVSiO4

data_[Li4V4Si4O16] 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 [P2_1/c] _cell_length_a [5.1875] _cell_length_b [5.89...

2.392

0.083

0.4954

0.0805

MP

Gd2InSbO7

data_[Gd8In4Sb4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 In 1.7800 1.5500 0.9400 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.4148] _cell_length_b [7.59...

2.376

0.0

0.4939

0.0

MP

SbI3Cl8

data_[Sb1I3Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 I 2.6600 1.4000 1.2733 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.5772] _cell_length_b [7.8347] _cell_length_c [8.1252] _cell_...

1.21

0.0

0.3507

0.0

MP

Co2Ag3SbO6

data_[Co6Ag9Sb3O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Ag 1.9300 1.6000 1.0867 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3_112] _cell_length_a [5.4460] _cell_length_b [5....

0.38

0.015

0.1706

0.021

MP

Na22CaFe6P12(O8F)6

data_[Na22Ca1Fe6P12O48F6] 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 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_grou...

2.426

0.0

0.4986

0.0

MP

Li2VP3O10

data_[Li8V4P12O40] 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 [C2/c] _cell_length_a [14.3388] _cell_length_b [7.1799...

2.215

0.056

0.4779

0.0594

MP

HoAsSe

data_[Ho4As4Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 As 2.1800 1.1500 0.6600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [17.4588] _cell_length_b [3.9016] _cell_length_c [3.9180] _c...

0.21

0.0

0.1121

0.0

MP

RePCl8O

data_[Re4P4Cl32O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 P 2.1900 1.0000 0.5500 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [17.1142] _cell_length_b [8.397...

0.031

0.0

0.0259

0.0

MP

Mg7Mn5O12

data_[Mg7Mn5O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.0872] _cell_length_b [3.0872] _cell_length_c [30.3880] _ce...

1.403

0.05

0.38

0.0544

MP

Li3Mn(CoO3)2

data_[Li6Mn2Co4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.4791] _cell_length_b [3.0...

0.033

0.079

0.0272

0.0775

MP

ScBrO

data_[Sc2Br2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.6356] _cell_length_b [3.6356] _cell_length_c [8.5689] _ce...

3.345

0.071

0.5743

0.0714

MP

Sm2PbSe4

data_[Sm8Pb4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Pb 2.3300 1.8000 1.1225 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [9.0120] _cell_length_b [9.0120] _cell_length_c [8.9956] _...

1.766

0.045

0.428

0.0501

MP

K3ScI6

data_[K12Sc4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sc 1.3600 1.6000 0.8850 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [12.4585] _cell_length_b [12.4585] _cell_length_c [12.4585] _...

2.335

0.055

0.4899

0.0585

MP

Cu3Sb(PO4)4

data_[Cu3Sb1P4O16] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [4.8893] _cell_length_b [5.9783] ...

0.002

0.07

0.0029

0.0706

MP

Li3Cr3SiO8

data_[Li3Cr3Si1O8] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.0311] _cell_length_b [5.803...

3.078

0.051

0.5543

0.0552

MP

LiFeF4

data_[Li6Fe6F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9961] _cell_length_b [8.2337] _cell_length_c [9.7218] _cell...

2.776

0.073

0.5299

0.0729

MP

Zr2IrAu

data_[Zr4Ir2Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ir 2.2000 1.3500 0.7650 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.2963] _cell_length_b [11.5031] _cell_length_c [16.1150] ...

0.07

3.214

0.0489

0.8144

MP

K2SbAuBr6

data_[K8Sb4Au4Br24] 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 Au 2.5400 1.3500 1.0700 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.2367] _cell_length_b [11...

0.238

0.065

0.1227

0.0667

MP

KSmS2O9

data_[K4Sm4S8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sm 1.1700 1.8500 1.2290 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.0071] _cell_length_b [8.801...

0.839

0.142

0.284

0.1211

MP

EuCl2

data_[Eu4Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.5458] _cell_length_b [4.5582] _cell_length_c [9.0412] _cell_angle_alpha [90.0000] _cell_a...

1.214

0.0

0.3513

0.0

MP

Cs3Ge4Au

data_[Cs6Ge8Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ge 2.0100 1.2500 0.7700 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [7.3424] _cell_length_b [13.2856] _cell_length_c [6.2485] _c...

0.932

0.0

0.3022

0.0

MP

La2Nb2N2O5

data_[La8Nb8N8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Nb 1.6000 1.4500 0.8200 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [10.7667] _cell_length_b [10.7856...

2.035

0.073

0.459

0.0729

MP

LiCo2OF3

data_[Li4Co8O4F12] 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 [P4_3] _cell_length_a [6.0929] _cell_length_b [6.0929...

2.105

0.088

0.4665

0.0842

MP

MgH6(CO3)2

data_[Mg4H24C8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [7.5585] _cell_length_b [8.7546]...

4.978

0.083

0.672

0.0805

MP

Nd4Ga2S5O4

data_[Nd32Ga16S40O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ga 1.8100 1.3000 0.7600 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [5.8297] _cell_length_b [18....

2.995

0.0

0.5478

0.0

MP

K2PH3SO8

data_[K8P4H12S4O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 P 2.1900 1.0000 0.5500 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 [7.51...

5.434

0.001

0.694

0.0024

MP

Rb2H8O5

data_[Rb16H64O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [15.0347] _cell_length_b [7.5148] _cell_length_c [14.9995] _cel...

3.617

0.058

0.5932

0.061

MP

K3TeP3O17

data_[K12Te4P12O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Te 2.1000 1.4000 1.2933 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [15.6746] _cell_length_b [7.6...

0.006

0.423

0.007

0.2646

MP

Li6Gd(BO3)3

data_[Li24Gd4B12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Gd 1.2000 1.8000 1.0750 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.3032] _cell_length_b [16...

0.13

0.003

0.0786

0.0058

MP

RbY(BH4)4

data_[Rb4Y4B16H64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Y 1.2200 1.8000 1.0400 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.4426] _cell_length_b [12.66...

6.138

0.0

0.7248

0.0

MP

LiCrS2

data_[Li1Cr1S2] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.5082] _cell_length_b [3.5082] _cell_length_c [5.9793] _cel...

0.646

0.0

0.2418

0.0

MP

Li2V(CO3)2

data_[Li32V16C32O96] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [15.1108] _cell_length_b [15.2...

2.127

0.069

0.4688

0.0698

MP

Rb3In(IO3)6

data_[Rb3In1I6O18] 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 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 [7.2173] _cell_length_b [7.2268]...

2.975

0.0

0.5462

0.0

MP

Ti3Cr(PO4)6

data_[Ti9Cr3P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.5888] _cell_length_b [8.5888]...

0.414

0.051

0.1808

0.0552

MP

Sr3LaTa3O12

data_[Sr9La3Ta9O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 La 1.1000 1.9500 1.1720 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.6871] _cell_length_b [5.687...

3.247

0.05

0.5671

0.0544

MP

V2OF6

data_[V4O2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.2741] _cell_length_b [6.8493] _cell_length_c [8.4268] _cell_angl...

0.141

0.093

0.0835

0.0879

MP

LiMn2OF3

data_[Li4Mn8O4F12] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_3] _cell_length_a [6.2773] _cell_length_b [6.2773...

1.369

0.102

0.375

0.0943

MP

La3SmV2Cr2O10

data_[La24Sm8V16Cr16O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Sm 1.1700 1.8500 1.2290 V 1.6300 1.3500 0.7775 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_...

0.322

0.262

0.1521

0.1897

MP

Li9Cr5O12

data_[Li18Cr10O24] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.1892] _cell_length_b [9.1083] _cell_length_c [10.0545] _...

1.439

0.066

0.3851

0.0675

MP

Li3VOF5

data_[Li6V2O2F10] 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 [Imm2] _cell_length_a [6.4215] _cell_length_b [6.4235] ...

2.99

0.096

0.5474

0.09

MP

Na2Al2Si3(HO3)4

data_[Na8Al8Si12H16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...

1.822

0.739

0.4348

0.3793

MP

Li4CuSi2O7

data_[Li16Cu4Si8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cu 1.9000 1.3500 0.8200 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [13.1919] _cell_length_b [5.44...

0.155

0.049

0.0896

0.0535

MP

Li3V2(O2F)2

data_[Li12V8O16F8] 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 [P1] _cell_length_a [5.9527] _cell_length_b [5.9768] _...

1.005

0.094

0.3158

0.0886