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	SmH18(IO3)3	data_[Sm2H36I6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 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 [Pmmn] _cell_length_a [8.0761] _cell_length_b [11.5998...	4.467	0.0	0.645	0.0
MP	LiVPO5	data_[Li4V4P4O20] 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 [Aem2] _cell_length_a [4.5901] _cell_length_b [8.8276] ...	2.475	0.038	0.5032	0.0438
MP	CsAs4F13	data_[Cs2As8F26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 As 2.1800 1.1500 0.6600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [9.7890] _cell_length_b [9.7890] _cell_length_c [6.8545] _cell...	4.981	0.0	0.6722	0.0
MP	NaAlGeO4	data_[Na4Al4Ge4O16] 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 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [2.8794] _cell_length_b [10...	3.073	0.076	0.5539	0.0752
MP	Ti2CoO5	data_[Ti8Co4O20] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.7513] _cell_length_b [9.8169] _cell_length_c [10.2069] _ce...	1.74	0.0	0.4248	0.0
MP	Li4Ti11O24	data_[Li8Ti22O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [19.7211] _cell_length_b [5.9831] _cell_length_c [8.4539] _cel...	2.178	0.079	0.4742	0.0775
MP	Li2Mn(SiO3)2	data_[Li8Mn4Si8O24] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [5.9048] _cell_length_b [9.9111...	3.585	0.041	0.591	0.0465
MP	Li2Ge(S2O7)3	data_[Li36Ge18S108O378] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [14.8064] _cell_length_b [1...	3.768	0.0	0.6031	0.0
MP	Li3V2Cr2O8	data_[Li3V2Cr2O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.8725] _cell_length_b [5.9501] ...	0.843	0.057	0.2848	0.0602
MP	Li2Fe2Si8O19	data_[Li2Fe2Si8O19] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.9130] _cell_length_b [7.1815...	3.508	0.095	0.5857	0.0893
MP	NaFeN	data_[Na2Fe2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0074] _cell_length_b [3.0074] _cell_length_c [9.8716] _ce...	0.448	0.017	0.1906	0.0232
MP	K2Ce(PO4)2	data_[K8Ce4P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ce 1.1200 1.8500 1.0800 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [6.9274] _cell_length_b [6.92...	1.441	0.003	0.3854	0.0058
MP	Gd2Hf2O7	data_[Gd16Hf16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Hf 1.3000 1.5500 0.8500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.5906] _cell_length_b [10.5906] _cell_length_c [10.5906...	2.826	0.0	0.5341	0.0
MP	LiCoPO4	data_[Li24Co24P24O96] 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 [P6_1] _cell_length_a [9.7097] _cell_length_b [9.7...	1.825	0.112	0.4351	0.1012
MP	H5SeNO4	data_[H30Se6N6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [20.2124] _cell_length_b [7.6227] ...	3.49	0.157	0.5845	0.1305
MP	SrB6(H4O7)2	data_[Sr4B24H32O56] 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 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.0105] _cell_length_b [8.2...	5.417	0.004	0.6933	0.0073
MP	SrCrO4	data_[Sr4Cr4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.8417] _cell_length_b [7.5039] _cell_length_c [8.7292] _c...	2.858	0.0	0.5368	0.0
MP	H2Os4Pt(CO)15	data_[H8Os16Pt4C60O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Os 2.2000 1.3000 0.6730 Pt 2.2800 1.3500 0.8050 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...	1.919	0.225	0.4461	0.17
MP	Li12Mo5O17	data_[Li24Mo10O34] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.6570] _cell_length_b [9.2912] _cell_length_c [11.6297] _c...	1.281	0.017	0.3618	0.0232
MP	RbZr6MnCl14	data_[Rb4Zr24Mn4Cl56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [14.6999] _cell_length_b [...	1.208	0.0	0.3503	0.0
MP	CS3NO2F3	data_[C16S48N16O32F48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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-M [C2/c] _cell_length_a [...	3.249	0.316	0.5673	0.2165
MP	K3In2As3	data_[K24In16As24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 In 1.7800 1.5500 0.9400 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [20.0841] _cell_length_b [6.9003] _cell_length_c [15.0991] ...	0.994	0.0	0.3138	0.0
MP	H6AuBrN2	data_[H48Au8Br8N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Au 2.5400 1.3500 1.0700 Br 2.9600 1.1500 0.8825 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.0762] _cell_length_b [11.60...	3.736	0.03	0.601	0.0364
MP	Ga2Sn3N4	data_[Ga8Sn12N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [13.3226] _cell_length_b [8.9055] _cell_length_c [5.6226] _c...	0.52	0.149	0.2104	0.1255
MP	ZnFeBO4	data_[Zn4Fe4B4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Fe 1.8300 1.4000 0.8525 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [3.1354] _cell_length_b [9.38...	1.104	0.077	0.3332	0.076
MP	K3V2O12	data_[K12V8O48] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.8625] _cell_length_b [10.0670] _cell_length_c [15.8633] _ce...	0.054	0.42	0.04	0.2633
MP	LiNbCrO4	data_[Li4Nb4Cr4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_322] _cell_length_a [6.3082] _cell_length_b [6....	1.159	0.07	0.3424	0.0706
MP	Y2AlCd	data_[Y4Al2Cd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Al 1.6100 1.2500 0.6750 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.2555] _cell_length_b [12.5644] _cell_length_c [17.8179] _c...	0.145	2.591	0.0853	0.7411
MP	Cr(OF)2	data_[Cr4O8F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [6.0810] _cell_length_b [5.1617] _cell_length_c [9.1987] _cell...	2.7	0.187	0.5234	0.1485
MP	AlPO4	data_[Al24P24O96] 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 [Pcc2] _cell_length_a [14.0205] _cell_length_b [24.3695] _cell_length_c [8.6359] _c...	5.557	0.021	0.6997	0.0275
MP	NbTlTeO6	data_[Nb4Tl4Te4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ima2] _cell_length_a [7.3275] _cell_length_b [10.3...	2.267	0.0	0.4832	0.0
MP	BF3	data_[B8F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.8141] _cell_length_b [7.5183] _cell_length_c [14.3113] _cell_angle_alpha [87.1025] _cell_angl...	8.135	0.0	0.7968	0.0
MP	Ba2NCl	data_[Ba6N3Cl3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.1571] _cell_length_b [4.1571] _cell_length_c [23.0640] _cel...	1.108	0.0	0.3338	0.0
MP	Nd4S4Cl2O	data_[Nd16S16Cl8O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [9.1534] _cell_length_b [16....	2.893	0.021	0.5396	0.0275
MP	Sb2O3	data_[Sb32O48] 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 [Fd-3m] _cell_length_a [11.4911] _cell_length_b [11.4911] _cell_length_c [11.4911] _cell_angle_alpha [90.0000] _ce...	3.341	0.005	0.574	0.0088
MP	K8La(PSe4)4	data_[K16La2P8Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 La 1.1000 1.9500 1.1720 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I222] _cell_length_a [9.2890] _cell_length_b [10.37...	0.087	0.041	0.0579	0.0465
MP	Na2Cu2Si4H4O13	data_[Na2Cu2Si4H4O13] 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 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 [P-1] _cell_length_a ...	0.186	0.048	0.1026	0.0526
MP	KLiEr2(MoO4)4	data_[K4Li4Er8Mo16O64] 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 Er 1.2400 1.7500 1.0300 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_...	3.26	0.014	0.5681	0.0199
MP	K3GeTe3	data_[K24Ge8Te24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ge 2.0100 1.2500 0.7700 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.1854] _cell_length_b [13.9163] _cell_length_c [9.8381] _...	1.161	0.0	0.3427	0.0
MP	NbSeCl9	data_[Nb8Se8Cl72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Se 2.5500 1.1500 1.0133 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.5773] _cell_length_b [19.7433] _cell_length_c [13.018...	2.078	0.004	0.4636	0.0073
MP	CdTe	data_[Cd2Te2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [4.6843] _cell_length_b [4.6843] _cell_length_c [7.6737] _cell_angle_alpha [90.0000] _cell...	0.619	0.003	0.2354	0.0058
MP	Li5GeP3	data_[Li20Ge4P12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ge 2.0100 1.2500 0.7700 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [13.0291] _cell_length_b [5.9269] _cell_length_c [8.5475] _cel...	0.754	0.01	0.2662	0.0152
MP	Ba2Sr3CaMg2(SiO4)4	data_[Ba2Sr3Ca1Mg2Si4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_gr...	4.747	0.011	0.6602	0.0164
MP	Pr2Se3O16	data_[Pr8Se12O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [13.3471] _cell_length_b [7.2459] _cell_length_c [19.9856]...	0.133	0.319	0.0799	0.218
MP	ZrFeCl6	data_[Zr2Fe2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Fe 1.8300 1.4000 0.8525 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [6.3643] _cell_length_b [6.3643] _cell_length_c [13.3392] ...	0.741	0.018	0.2634	0.0243
MP	Cs2Ni3S4	data_[Cs4Ni6S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ni 1.9100 1.3500 0.7400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.8916] _cell_length_b [5.8916] _cell_length_c [15.2362] ...	0.907	0.0	0.2974	0.0
MP	Li2Cr3P4(HO4)4	data_[Li4Cr6P8H8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 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...	2.848	0.032	0.5359	0.0383
MP	NaErF4	data_[Na1Er1F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Er 1.2400 1.7500 1.0300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7884] _cell_length_b [3.7884] _cell_length_c [5.4779] _ce...	6.804	0.001	0.751	0.0024
MP	Al4GaSb5	data_[Al8Ga2Sb10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Ga 1.8100 1.3000 0.7600 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [4.4098] _cell_length_b [22.0245] _cell_length_c [6.2249] _...	0.986	0.009	0.3123	0.014
MP	AlF3	data_[Al1F3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.6398] _cell_length_b [3.6398] _cell_length_c [3.6398] _cell_angle_alpha [90.0000] _cell_an...	7.42	0.009	0.7732	0.014
MP	Ba3AlAs3	data_[Ba24Al8As24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Al 1.6100 1.2500 0.6750 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [20.1376] _cell_length_b [6.9318] _cell_length_c [13.5093]...	0.684	0.0	0.2506	0.0
MP	OsCl4O	data_[Os4Cl16O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.2095] _cell_length_b [6.0087] _cell_length_c [12.7312] ...	1.058	0.239	0.3252	0.1776
MP	Na2HgSb	data_[Na4Hg2Sb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Hg 2.0000 1.5000 1.2450 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.1376] _cell_length_b [12.1924] _cell_length_c [17.2453] ...	0.009	0.902	0.0097	0.4276
MP	Dy3Mg2MoS8	data_[Dy9Mg6Mo3S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Mg 1.3100 1.5000 0.8600 Mo 2.1600 1.4500 0.7750 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.8433] _cell_length_b [7.84...	0.498	0.112	0.2045	0.1012
MP	SiO2	data_[Si28O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [5.2769] _cell_length_b [22.6795] _cell_length_c [14.0842] _cell_angle_alpha [90.0000] _cell...	5.723	0.023	0.7071	0.0295
MP	Ba2B2O5	data_[Ba8B8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 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 [8.4748] _cell_length_b [5.6134] _cell_length_c [12.5226] _ce...	4.236	0.0	0.6319	0.0
MP	Li7VN4	data_[Li56V8N32] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-43n] _cell_length_a [9.6272] _cell_length_b [9.6272] _cell_length_c [9.6272] _cel...	2.9	0.003	0.5402	0.0058
MP	KAg(PO3)2	data_[K4Ag4P8O24] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.1535] _cell_length_b [13.374...	2.904	0.0	0.5405	0.0
MP	Ti3Si6N11	data_[Ti6Si12N22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P4bm] _cell_length_a [9.7225] _cell_length_b [9.7225] _cell_length_c [4.8105] _ce...	0.016	0.381	0.0153	0.2464
MP	Ba(FeO2)2	data_[Ba8Fe16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [8.6179] _cell_length_b [19.4420] _cell_length_c [5.5066] ...	1.742	0.0	0.4251	0.0
MP	NaSrFeF6	data_[Na4Sr4Fe4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sr 0.9500 2.0000 1.3200 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [5.4736] _cell_length_b...	3.461	0.0	0.5825	0.0
MP	Li2MgCo3O8	data_[Li4Mg2Co6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mg 1.3100 1.5000 0.8600 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.9565] _cell_length_b [5.74...	0.815	0.023	0.2791	0.0295
MP	Li3Cr(PO4)2	data_[Li27Cr9P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.8847] _cell_length_b [8.8847...	2.755	0.066	0.5281	0.0675
MP	PWO4	data_[P4W4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pnma] _cell_length_a [10.2048] _cell_length_b [5.9930] _cell_length_c [5.1075] _cell_a...	3.162	0.104	0.5608	0.0957
MP	LiTa3O8	data_[Li4Ta12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [17.1620] _cell_length_b [3.9109] _cell_length_c [8.9858] _c...	2.207	0.041	0.4771	0.0465
MP	Ce3Bi4Pt3	data_[Ce12Bi16Pt12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Bi 2.0200 1.6000 1.0350 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [I-43d] _cell_length_a [10.0614] _cell_length_b [10.0614] _cell_length_c [10.06...	0.204	0.0	0.1098	0.0
MP	Li2FeF4	data_[Li36Fe18F72] 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 [R-3] _cell_length_a [14.3770] _cell_length_b [14.3770] _cell_length_c [9.6374] _...	3.604	0.059	0.5923	0.0618
MP	KSb2PO8	data_[K8Sb16P8O64] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [12.5274] _cell_length_b [7.1917] ...	2.361	0.0	0.4924	0.0
MP	K3Be3B3P6O25	data_[K12Be12B12P24O100] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Be 1.5700 1.0500 0.5900 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_132] _cell_lengt...	0.002	0.048	0.0029	0.0526
MP	Li2Nb(PO3)5	data_[Li4Nb2P10O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 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 [5.3653] _cell_length_b [13....	0.065	0.081	0.0462	0.079
MP	Cs3Li4(BO2)7	data_[Cs9Li12B21O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Li 0.9800 1.4500 0.9000 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3_121] _cell_length_a [7.0290] _cell_length_b [7....	4.53	0.0	0.6485	0.0
MP	La(ClO3)3	data_[La4Cl12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [10.2544] _cell_length_b [15.5450] _cell_length_c [8.6616] _...	0.224	0.618	0.1175	0.3392
MP	CoSb3(PO4)6	data_[Co3Sb9P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Sb 2.0500 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.5607] _cell_length_b [8.5607]...	1.626	0.005	0.4105	0.0088
MP	Y2ZnCd	data_[Y4Zn2Cd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Zn 1.6500 1.3500 0.8800 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.3843] _cell_length_b [12.6710] _cell_length_c [17.9359] _c...	0.027	2.445	0.0232	0.7218
MP	LiTb(WO4)2	data_[Li2Tb2W4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tb 1.1000 1.7500 0.9815 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.1378] _cell_length_b [5.8786...	3.775	0.001	0.6036	0.0024
MP	Cd5Te4S	data_[Cd15Te12S3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Te 2.1000 1.4000 1.2933 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.5967] _cell_length_b [4.5967] _cell_length_c [56.1968] _ce...	0.29	0.043	0.1413	0.0483
MP	Na3SiSbCO7	data_[Na6Si2Sb2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Si 1.9000 1.1000 0.5400 Sb 2.0500 1.4500 0.8300 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length...	3.163	0.033	0.5608	0.0392
MP	KNa3V2(MoO6)2	data_[K4Na12V8Mo8O48] 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 V 1.6300 1.3500 0.7775 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmm2] _cell_length_a ...	0.556	0.103	0.2197	0.095
MP	ZrAlFe2	data_[Zr2Al2Fe4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 Fe 1.8300 1.4000 0.8525 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.1132] _cell_length_b [10.7078] _cell_length_c [15.0743] _...	0.024	3.276	0.0212	0.8211
MP	P2WO8	data_[P4W2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P2_1/c] _cell_length_a [5.2446] _cell_length_b [7.2067] _cell_length_c [9.5193] _cell_...	2.046	0.072	0.4602	0.0722
MP	SrCaTiMnO6	data_[Sr2Ca2Ti2Mn2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length...	1.536	0.023	0.3986	0.0295
MP	BaV2(CuO4)2	data_[Ba8V16Cu16O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 V 1.6300 1.3500 0.7775 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [13.1018] _cell_length_b [13...	0.162	0.033	0.0926	0.0392
MP	SbN	data_[Sb4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [5.5774] _cell_length_b [6.0679] _cell_length_c [5.1581] _cell_angle_alpha [90.0000] _cell_a...	1.557	0.26	0.4014	0.1886
MP	Li17(CoO4)3	data_[Li34Co6O24] 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 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.5897] _cell_length_b [8.0829] _cell_length_c [11.4671] _cel...	0.345	0.015	0.1596	0.021
MP	BN	data_[B8N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [3.2876] _cell_length_b [9.4311] _cell_length_c [4.3486] _cell_angle_alpha [90.0000] _cell_angle_b...	3.577	0.219	0.5905	0.1667
MP	LiMn2(PO4)3	data_[Li4Mn8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.8356] _cell_length_b [12.1...	0.416	0.083	0.1814	0.0805
MP	Cd2BO4	data_[Cd64B32O128] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Fd-3] _cell_length_a [14.1449] _cell_length_b [14.1449] _cell_length_c [14.1449] ...	1.287	0.11	0.3627	0.0999
MP	Ta3NbV4O20	data_[Ta3Nb1V4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [7.0711] _cell_length_b [5.6282] ...	2.097	0.0	0.4657	0.0
MP	AgPS3	data_[Ag4P4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.0009] _cell_length_b [7.2897] _cell_length_c [7.6822] _cell...	1.323	0.005	0.3682	0.0088
MP	Li7Co5O12	data_[Li14Co10O24] 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 ] _symmetry_space_group_name_H-M [P2] _cell_length_a [5.0146] _cell_length_b [8.6503] _cell_length_c [9.6979] _cel...	0.413	0.042	0.1805	0.0474
MP	AlTc2Mo	data_[Al2Tc4Mo2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Tc 1.9000 1.3500 0.7417 Mo 2.1600 1.4500 0.7750 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.4600] _cell_length_b [10.5437] _cell_length_c [14.9718] _...	0.077	3.89	0.0527	0.8812
MP	K2SeO4	data_[K24Se12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [23.3699] _cell_length_b [10.6527] _cell_length_c [6.1466] ...	3.759	0.0	0.6025	0.0
MP	Cd2Te2O7	data_[Cd8Te8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.5488] _cell_length_b [8.5069] _cell_length_c [10.1313] _cel...	1.769	0.0	0.4284	0.0
MP	La3SbO7	data_[La12Sb4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [11.1764] _cell_length_b [7.6946] _cell_length_c [7.8325] _c...	2.814	0.0	0.5331	0.0
MP	LiTb(WO4)2	data_[Li2Tb2W4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tb 1.1000 1.7500 0.9815 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 [5.2287] _cell_length_b [5.2287]...	4.082	0.066	0.6227	0.0675
MP	TlCu3Te2	data_[Tl8Cu24Te16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Cu 1.9000 1.3500 0.8200 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [8.5705] _cell_length_b [8.5711] _cell_length_c [16.7872] _c...	0.211	0.058	0.1125	0.061
MP	LiMn(PO3)4	data_[Li4Mn4P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [9.2457] _cell_length_b ...	0.042	0.055	0.0329	0.0585
MP	CaZn(GeO3)2	data_[Ca4Zn4Ge8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Zn 1.6500 1.3500 0.8800 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.3180] _cell_length_b [9.1...	2.48	0.023	0.5037	0.0295
MP	Na4Bi2C4SO16	data_[Na8Bi4C8S2O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Bi 2.0200 1.6000 1.0350 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 [P1] _cell_length_a [10...	1.212	0.031	0.351	0.0374
MP	Tm2O3	data_[Tm2O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.6088] _cell_length_b [3.6088] _cell_length_c [5.8027] _cell_angle_alpha [90.0000] _cell_an...	4.154	0.068	0.6271	0.069

MP

SmH18(IO3)3

data_[Sm2H36I6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 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 [Pmmn] _cell_length_a [8.0761] _cell_length_b [11.5998...

4.467

0.0

0.645

0.0

MP

LiVPO5

data_[Li4V4P4O20] 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 [Aem2] _cell_length_a [4.5901] _cell_length_b [8.8276] ...

2.475

0.038

0.5032

0.0438

MP

CsAs4F13

data_[Cs2As8F26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 As 2.1800 1.1500 0.6600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [9.7890] _cell_length_b [9.7890] _cell_length_c [6.8545] _cell...

4.981

0.0

0.6722

0.0

MP

NaAlGeO4

data_[Na4Al4Ge4O16] 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 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [2.8794] _cell_length_b [10...

3.073

0.076

0.5539

0.0752

MP

Ti2CoO5

data_[Ti8Co4O20] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.7513] _cell_length_b [9.8169] _cell_length_c [10.2069] _ce...

1.74

0.0

0.4248

0.0

MP

Li4Ti11O24

data_[Li8Ti22O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [19.7211] _cell_length_b [5.9831] _cell_length_c [8.4539] _cel...

2.178

0.079

0.4742

0.0775

MP

Li2Mn(SiO3)2

data_[Li8Mn4Si8O24] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [5.9048] _cell_length_b [9.9111...

3.585

0.041

0.591

0.0465

MP

Li2Ge(S2O7)3

data_[Li36Ge18S108O378] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [14.8064] _cell_length_b [1...

3.768

0.0

0.6031

0.0

MP

Li3V2Cr2O8

data_[Li3V2Cr2O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.8725] _cell_length_b [5.9501] ...

0.843

0.057

0.2848

0.0602

MP

Li2Fe2Si8O19

data_[Li2Fe2Si8O19] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.9130] _cell_length_b [7.1815...

3.508

0.095

0.5857

0.0893

MP

NaFeN

data_[Na2Fe2N2] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.0074] _cell_length_b [3.0074] _cell_length_c [9.8716] _ce...

0.448

0.017

0.1906

0.0232

MP

K2Ce(PO4)2

data_[K8Ce4P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ce 1.1200 1.8500 1.0800 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [6.9274] _cell_length_b [6.92...

1.441

0.003

0.3854

0.0058

MP

Gd2Hf2O7

data_[Gd16Hf16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Hf 1.3000 1.5500 0.8500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.5906] _cell_length_b [10.5906] _cell_length_c [10.5906...

2.826

0.0

0.5341

0.0

MP

LiCoPO4

data_[Li24Co24P24O96] 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 [P6_1] _cell_length_a [9.7097] _cell_length_b [9.7...

1.825

0.112

0.4351

0.1012

MP

H5SeNO4

data_[H30Se6N6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [20.2124] _cell_length_b [7.6227] ...

3.49

0.157

0.5845

0.1305

MP

SrB6(H4O7)2

data_[Sr4B24H32O56] 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 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.0105] _cell_length_b [8.2...

5.417

0.004

0.6933

0.0073

MP

SrCrO4

data_[Sr4Cr4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.8417] _cell_length_b [7.5039] _cell_length_c [8.7292] _c...

2.858

0.0

0.5368

0.0

MP

H2Os4Pt(CO)15

data_[H8Os16Pt4C60O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Os 2.2000 1.3000 0.6730 Pt 2.2800 1.3500 0.8050 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...

1.919

0.225

0.4461

0.17

MP

Li12Mo5O17

data_[Li24Mo10O34] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.6570] _cell_length_b [9.2912] _cell_length_c [11.6297] _c...

1.281

0.017

0.3618

0.0232

MP

RbZr6MnCl14

data_[Rb4Zr24Mn4Cl56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Zr 1.3300 1.5500 0.8600 Mn 1.5500 1.4000 0.6483 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [14.6999] _cell_length_b [...

1.208

0.0

0.3503

0.0

MP

CS3NO2F3

data_[C16S48N16O32F48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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-M [C2/c] _cell_length_a [...

3.249

0.316

0.5673

0.2165

MP

K3In2As3

data_[K24In16As24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 In 1.7800 1.5500 0.9400 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [20.0841] _cell_length_b [6.9003] _cell_length_c [15.0991] ...

0.994

0.0

0.3138

0.0

MP

H6AuBrN2

data_[H48Au8Br8N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 Au 2.5400 1.3500 1.0700 Br 2.9600 1.1500 0.8825 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.0762] _cell_length_b [11.60...

3.736

0.03

0.601

0.0364

MP

Ga2Sn3N4

data_[Ga8Sn12N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [13.3226] _cell_length_b [8.9055] _cell_length_c [5.6226] _c...

0.52

0.149

0.2104

0.1255

MP

ZnFeBO4

data_[Zn4Fe4B4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Fe 1.8300 1.4000 0.8525 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [3.1354] _cell_length_b [9.38...

1.104

0.077

0.3332

0.076

MP

K3V2O12

data_[K12V8O48] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.8625] _cell_length_b [10.0670] _cell_length_c [15.8633] _ce...

0.054

0.42

0.04

0.2633

MP

LiNbCrO4

data_[Li4Nb4Cr4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_322] _cell_length_a [6.3082] _cell_length_b [6....

1.159

0.07

0.3424

0.0706

MP

Y2AlCd

data_[Y4Al2Cd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Al 1.6100 1.2500 0.6750 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.2555] _cell_length_b [12.5644] _cell_length_c [17.8179] _c...

0.145

2.591

0.0853

0.7411

MP

Cr(OF)2

data_[Cr4O8F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 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 [6.0810] _cell_length_b [5.1617] _cell_length_c [9.1987] _cell...

2.7

0.187

0.5234

0.1485

MP

AlPO4

data_[Al24P24O96] 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 [Pcc2] _cell_length_a [14.0205] _cell_length_b [24.3695] _cell_length_c [8.6359] _c...

5.557

0.021

0.6997

0.0275

MP

NbTlTeO6

data_[Nb4Tl4Te4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ima2] _cell_length_a [7.3275] _cell_length_b [10.3...

2.267

0.0

0.4832

0.0

MP

BF3

data_[B8F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.8141] _cell_length_b [7.5183] _cell_length_c [14.3113] _cell_angle_alpha [87.1025] _cell_angl...

8.135

0.0

0.7968

0.0

MP

Ba2NCl

data_[Ba6N3Cl3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.1571] _cell_length_b [4.1571] _cell_length_c [23.0640] _cel...

1.108

0.0

0.3338

0.0

MP

Nd4S4Cl2O

data_[Nd16S16Cl8O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 S 2.5800 1.0000 0.8800 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [9.1534] _cell_length_b [16....

2.893

0.021

0.5396

0.0275

MP

Sb2O3

data_[Sb32O48] 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 [Fd-3m] _cell_length_a [11.4911] _cell_length_b [11.4911] _cell_length_c [11.4911] _cell_angle_alpha [90.0000] _ce...

3.341

0.005

0.574

0.0088

MP

K8La(PSe4)4

data_[K16La2P8Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 La 1.1000 1.9500 1.1720 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I222] _cell_length_a [9.2890] _cell_length_b [10.37...

0.087

0.041

0.0579

0.0465

MP

Na2Cu2Si4H4O13

data_[Na2Cu2Si4H4O13] 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 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 [P-1] _cell_length_a ...

0.186

0.048

0.1026

0.0526

MP

KLiEr2(MoO4)4

data_[K4Li4Er8Mo16O64] 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 Er 1.2400 1.7500 1.0300 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_...

3.26

0.014

0.5681

0.0199

MP

K3GeTe3

data_[K24Ge8Te24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ge 2.0100 1.2500 0.7700 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.1854] _cell_length_b [13.9163] _cell_length_c [9.8381] _...

1.161

0.0

0.3427

0.0

MP

NbSeCl9

data_[Nb8Se8Cl72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Se 2.5500 1.1500 1.0133 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.5773] _cell_length_b [19.7433] _cell_length_c [13.018...

2.078

0.004

0.4636

0.0073

MP

CdTe

data_[Cd2Te2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [4.6843] _cell_length_b [4.6843] _cell_length_c [7.6737] _cell_angle_alpha [90.0000] _cell...

0.619

0.003

0.2354

0.0058

MP

Li5GeP3

data_[Li20Ge4P12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ge 2.0100 1.2500 0.7700 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [13.0291] _cell_length_b [5.9269] _cell_length_c [8.5475] _cel...

0.754

0.01

0.2662

0.0152

MP

Ba2Sr3CaMg2(SiO4)4

data_[Ba2Sr3Ca1Mg2Si4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_gr...

4.747

0.011

0.6602

0.0164

MP

Pr2Se3O16

data_[Pr8Se12O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [13.3471] _cell_length_b [7.2459] _cell_length_c [19.9856]...

0.133

0.319

0.0799

0.218

MP

ZrFeCl6

data_[Zr2Fe2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Fe 1.8300 1.4000 0.8525 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [6.3643] _cell_length_b [6.3643] _cell_length_c [13.3392] ...

0.741

0.018

0.2634

0.0243

MP

Cs2Ni3S4

data_[Cs4Ni6S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ni 1.9100 1.3500 0.7400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.8916] _cell_length_b [5.8916] _cell_length_c [15.2362] ...

0.907

0.0

0.2974

0.0

MP

Li2Cr3P4(HO4)4

data_[Li4Cr6P8H8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 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...

2.848

0.032

0.5359

0.0383

MP

NaErF4

data_[Na1Er1F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Er 1.2400 1.7500 1.0300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7884] _cell_length_b [3.7884] _cell_length_c [5.4779] _ce...

6.804

0.001

0.751

0.0024

MP

Al4GaSb5

data_[Al8Ga2Sb10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Ga 1.8100 1.3000 0.7600 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [4.4098] _cell_length_b [22.0245] _cell_length_c [6.2249] _...

0.986

0.009

0.3123

0.014

MP

AlF3

data_[Al1F3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.6398] _cell_length_b [3.6398] _cell_length_c [3.6398] _cell_angle_alpha [90.0000] _cell_an...

7.42

0.009

0.7732

0.014

MP

Ba3AlAs3

data_[Ba24Al8As24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Al 1.6100 1.2500 0.6750 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [20.1376] _cell_length_b [6.9318] _cell_length_c [13.5093]...

0.684

0.0

0.2506

0.0

MP

OsCl4O

data_[Os4Cl16O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.2095] _cell_length_b [6.0087] _cell_length_c [12.7312] ...

1.058

0.239

0.3252

0.1776

MP

Na2HgSb

data_[Na4Hg2Sb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Hg 2.0000 1.5000 1.2450 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.1376] _cell_length_b [12.1924] _cell_length_c [17.2453] ...

0.009

0.902

0.0097

0.4276

MP

Dy3Mg2MoS8

data_[Dy9Mg6Mo3S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Mg 1.3100 1.5000 0.8600 Mo 2.1600 1.4500 0.7750 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.8433] _cell_length_b [7.84...

0.498

0.112

0.2045

0.1012

MP

SiO2

data_[Si28O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [5.2769] _cell_length_b [22.6795] _cell_length_c [14.0842] _cell_angle_alpha [90.0000] _cell...

5.723

0.023

0.7071

0.0295

MP

Ba2B2O5

data_[Ba8B8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 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 [8.4748] _cell_length_b [5.6134] _cell_length_c [12.5226] _ce...

4.236

0.0

0.6319

0.0

MP

Li7VN4

data_[Li56V8N32] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-43n] _cell_length_a [9.6272] _cell_length_b [9.6272] _cell_length_c [9.6272] _cel...

2.9

0.003

0.5402

0.0058

MP

KAg(PO3)2

data_[K4Ag4P8O24] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.1535] _cell_length_b [13.374...

2.904

0.0

0.5405

0.0

MP

Ti3Si6N11

data_[Ti6Si12N22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P4bm] _cell_length_a [9.7225] _cell_length_b [9.7225] _cell_length_c [4.8105] _ce...

0.016

0.381

0.0153

0.2464

MP

Ba(FeO2)2

data_[Ba8Fe16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [8.6179] _cell_length_b [19.4420] _cell_length_c [5.5066] ...

1.742

0.0

0.4251

0.0

MP

NaSrFeF6

data_[Na4Sr4Fe4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sr 0.9500 2.0000 1.3200 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [5.4736] _cell_length_b...

3.461

0.0

0.5825

0.0

MP

Li2MgCo3O8

data_[Li4Mg2Co6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mg 1.3100 1.5000 0.8600 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.9565] _cell_length_b [5.74...

0.815

0.023

0.2791

0.0295

MP

Li3Cr(PO4)2

data_[Li27Cr9P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.8847] _cell_length_b [8.8847...

2.755

0.066

0.5281

0.0675

MP

PWO4

data_[P4W4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pnma] _cell_length_a [10.2048] _cell_length_b [5.9930] _cell_length_c [5.1075] _cell_a...

3.162

0.104

0.5608

0.0957

MP

LiTa3O8

data_[Li4Ta12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [17.1620] _cell_length_b [3.9109] _cell_length_c [8.9858] _c...

2.207

0.041

0.4771

0.0465

MP

Ce3Bi4Pt3

data_[Ce12Bi16Pt12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Bi 2.0200 1.6000 1.0350 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [I-43d] _cell_length_a [10.0614] _cell_length_b [10.0614] _cell_length_c [10.06...

0.204

0.0

0.1098

0.0

MP

Li2FeF4

data_[Li36Fe18F72] 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 [R-3] _cell_length_a [14.3770] _cell_length_b [14.3770] _cell_length_c [9.6374] _...

3.604

0.059

0.5923

0.0618

MP

KSb2PO8

data_[K8Sb16P8O64] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [12.5274] _cell_length_b [7.1917] ...

2.361

0.0

0.4924

0.0

MP

K3Be3B3P6O25

data_[K12Be12B12P24O100] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Be 1.5700 1.0500 0.5900 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_132] _cell_lengt...

0.002

0.048

0.0029

0.0526

MP

Li2Nb(PO3)5

data_[Li4Nb2P10O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 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 [5.3653] _cell_length_b [13....

0.065

0.081

0.0462

0.079

MP

Cs3Li4(BO2)7

data_[Cs9Li12B21O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Li 0.9800 1.4500 0.9000 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3_121] _cell_length_a [7.0290] _cell_length_b [7....

4.53

0.0

0.6485

0.0

MP

La(ClO3)3

data_[La4Cl12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [10.2544] _cell_length_b [15.5450] _cell_length_c [8.6616] _...

0.224

0.618

0.1175

0.3392

MP

CoSb3(PO4)6

data_[Co3Sb9P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Sb 2.0500 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [8.5607] _cell_length_b [8.5607]...

1.626

0.005

0.4105

0.0088

MP

Y2ZnCd

data_[Y4Zn2Cd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Zn 1.6500 1.3500 0.8800 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.3843] _cell_length_b [12.6710] _cell_length_c [17.9359] _c...

0.027

2.445

0.0232

0.7218

MP

LiTb(WO4)2

data_[Li2Tb2W4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tb 1.1000 1.7500 0.9815 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.1378] _cell_length_b [5.8786...

3.775

0.001

0.6036

0.0024

MP

Cd5Te4S

data_[Cd15Te12S3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Te 2.1000 1.4000 1.2933 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.5967] _cell_length_b [4.5967] _cell_length_c [56.1968] _ce...

0.29

0.043

0.1413

0.0483

MP

Na3SiSbCO7

data_[Na6Si2Sb2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Si 1.9000 1.1000 0.5400 Sb 2.0500 1.4500 0.8300 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length...

3.163

0.033

0.5608

0.0392

MP

KNa3V2(MoO6)2

data_[K4Na12V8Mo8O48] 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 V 1.6300 1.3500 0.7775 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmm2] _cell_length_a ...

0.556

0.103

0.2197

0.095

MP

ZrAlFe2

data_[Zr2Al2Fe4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 Fe 1.8300 1.4000 0.8525 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.1132] _cell_length_b [10.7078] _cell_length_c [15.0743] _...

0.024

3.276

0.0212

0.8211

MP

P2WO8

data_[P4W2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P2_1/c] _cell_length_a [5.2446] _cell_length_b [7.2067] _cell_length_c [9.5193] _cell_...

2.046

0.072

0.4602

0.0722

MP

SrCaTiMnO6

data_[Sr2Ca2Ti2Mn2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length...

1.536

0.023

0.3986

0.0295

MP

BaV2(CuO4)2

data_[Ba8V16Cu16O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 V 1.6300 1.3500 0.7775 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [13.1018] _cell_length_b [13...

0.162

0.033

0.0926

0.0392

MP

SbN

data_[Sb4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [5.5774] _cell_length_b [6.0679] _cell_length_c [5.1581] _cell_angle_alpha [90.0000] _cell_a...

1.557

0.26

0.4014

0.1886

MP

Li17(CoO4)3

data_[Li34Co6O24] 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 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.5897] _cell_length_b [8.0829] _cell_length_c [11.4671] _cel...

0.345

0.015

0.1596

0.021

MP

BN

data_[B8N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [3.2876] _cell_length_b [9.4311] _cell_length_c [4.3486] _cell_angle_alpha [90.0000] _cell_angle_b...

3.577

0.219

0.5905

0.1667

MP

LiMn2(PO4)3

data_[Li4Mn8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.8356] _cell_length_b [12.1...

0.416

0.083

0.1814

0.0805

MP

Cd2BO4

data_[Cd64B32O128] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Fd-3] _cell_length_a [14.1449] _cell_length_b [14.1449] _cell_length_c [14.1449] ...

1.287

0.11

0.3627

0.0999

MP

Ta3NbV4O20

data_[Ta3Nb1V4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Nb 1.6000 1.4500 0.8200 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [7.0711] _cell_length_b [5.6282] ...

2.097

0.0

0.4657

0.0

MP

AgPS3

data_[Ag4P4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.0009] _cell_length_b [7.2897] _cell_length_c [7.6822] _cell...

1.323

0.005

0.3682

0.0088

MP

Li7Co5O12

data_[Li14Co10O24] 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 ] _symmetry_space_group_name_H-M [P2] _cell_length_a [5.0146] _cell_length_b [8.6503] _cell_length_c [9.6979] _cel...

0.413

0.042

0.1805

0.0474

MP

AlTc2Mo

data_[Al2Tc4Mo2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Tc 1.9000 1.3500 0.7417 Mo 2.1600 1.4500 0.7750 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.4600] _cell_length_b [10.5437] _cell_length_c [14.9718] _...

0.077

3.89

0.0527

0.8812

MP

K2SeO4

data_[K24Se12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [23.3699] _cell_length_b [10.6527] _cell_length_c [6.1466] ...

3.759

0.0

0.6025

0.0

MP

Cd2Te2O7

data_[Cd8Te8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.5488] _cell_length_b [8.5069] _cell_length_c [10.1313] _cel...

1.769

0.0

0.4284

0.0

MP

La3SbO7

data_[La12Sb4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [11.1764] _cell_length_b [7.6946] _cell_length_c [7.8325] _c...

2.814

0.0

0.5331

0.0

MP

LiTb(WO4)2

data_[Li2Tb2W4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tb 1.1000 1.7500 0.9815 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 [5.2287] _cell_length_b [5.2287]...

4.082

0.066

0.6227

0.0675

MP

TlCu3Te2

data_[Tl8Cu24Te16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Cu 1.9000 1.3500 0.8200 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [8.5705] _cell_length_b [8.5711] _cell_length_c [16.7872] _c...

0.211

0.058

0.1125

0.061

MP

LiMn(PO3)4

data_[Li4Mn4P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [9.2457] _cell_length_b ...

0.042

0.055

0.0329

0.0585

MP

CaZn(GeO3)2

data_[Ca4Zn4Ge8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Zn 1.6500 1.3500 0.8800 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.3180] _cell_length_b [9.1...

2.48

0.023

0.5037

0.0295

MP

Na4Bi2C4SO16

data_[Na8Bi4C8S2O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Bi 2.0200 1.6000 1.0350 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 [P1] _cell_length_a [10...

1.212

0.031

0.351

0.0374

MP

Tm2O3

data_[Tm2O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.6088] _cell_length_b [3.6088] _cell_length_c [5.8027] _cell_angle_alpha [90.0000] _cell_an...

4.154

0.068

0.6271

0.069