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	Ca5Hf2N6	data_[Ca20Hf8N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Hf 1.3000 1.5500 0.8500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.9913] _cell_length_b [6.0853] _cell_length_c [14.6251] _...	1.375	0.218	0.3759	0.1661
MP	K3GdCl6	data_[K12Gd4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Gd 1.2000 1.8000 1.0750 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.2832] _cell_length_b [11.2832] _cell_length_c [11.2832]...	3.184	0.07	0.5624	0.0706
MP	Ta2WO8	data_[Ta16W8O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [3.8843] _cell_length_b [18.1184] _cell_length_c [16.9464] _cell...	1.939	0.01	0.4483	0.0152
MP	BaCu2Ge2O7	data_[Ba4Cu8Ge8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Cu 1.9000 1.3500 0.8200 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.1623] _cell_length_b [13.3...	0.214	0.01	0.1137	0.0152
MP	LiUO3	data_[Li6U6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 U 1.3800 1.7500 0.9913 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3c] _cell_length_a [5.4806] _cell_length_b [5.4806] _cell_length_c [15.0569] _cell_...	0.443	0.0	0.1892	0.0
MP	Na2CoP4(H2O3)6	data_[Na4Co2P8H24O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Co 1.8800 1.3500 0.7683 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/m] _cell_length_...	2.861	0.04	0.537	0.0456
MP	Sr(IO3)2	data_[Sr2I4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [6.1967] _cell_length_b [5.4476] _cell_length_c [10.6079] _cell...	3.861	0.029	0.6091	0.0354
MP	La2SeO2	data_[La2Se1O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.0988] _cell_length_b [4.0988] _cell_length_c [7.1871] _cel...	2.407	0.0	0.4968	0.0
MP	Rb2(ReS2)3	data_[Rb16Re24S48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Re 1.9000 1.3500 0.7125 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [17.1625] _cell_length_b [9.9629] _cell_length_c [12.1834] ...	1.427	0.0	0.3834	0.0
MP	Na4Al3Si3IO12	data_[Na8Al6Si6I2O24] 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 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-43n] _cell_length_...	4.151	0.0	0.6269	0.0
MP	SiC	data_[Si51C51] 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 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [3.0921] _cell_length_b [3.0921] _cell_length_c [129.0641] _cell_angle_alpha [90.0000] _cell_...	2.004	0.0	0.4556	0.0
MP	Sr3LaNb3O12	data_[Sr9La3Nb9O36] 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 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [5.7320] _cell_length_b [5.7320...	3.114	0.013	0.5571	0.0188
MP	Ca3B6(H4O5)4	data_[Ca12B24H64O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 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 [C2/c] _cell_length_a [13.1962] _cell_length_b [9.59...	5.41	0.01	0.6929	0.0152
MP	Ca2AsAu	data_[Ca8As4Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 As 2.1800 1.1500 0.6600 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.2771] _cell_length_b [7.2771] _cell_length_c [7.2771] _c...	0.198	0.04	0.1074	0.0456
MP	Nd12Si5Se28	data_[Nd12Si5Se28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Si 1.9000 1.1000 0.5400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [10.6135] _cell_length_b [12.1330] _cell_length_c [12.2114] ...	0.925	0.007	0.3009	0.0115
MP	P(HO)4	data_[P8H32O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pccn] _cell_length_a [6.7042] _cell_length_b [11.7224] _cell_length_c [9.5707] _cell_...	5.923	0.021	0.7158	0.0275
MP	Si60Te13P32Se3	data_[Si60Te13P32Se3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Te 2.1000 1.4000 1.2933 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pmmm] _cell_length_a [10.0182] _cell_length_b [1...	0.928	0.06	0.3015	0.0626
MP	Li5Ti4Co3O16	data_[Li10Ti8Co6O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.3162] _cell_length_b [8.424...	0.36	0.111	0.1643	0.1005
MP	Li2NiSnO4	data_[Li2Ni1Sn1O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ni 1.9100 1.3500 0.7400 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.2295] _cell_length_b [3.093...	2.445	0.012	0.5004	0.0176
MP	NaP	data_[Na8P8] 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 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [5.6696] _cell_length_b [6.0644] _cell_length_c [10.1582] _cell_angle_alpha [90.0000] _c...	0.868	0.0	0.2898	0.0
MP	KSm(WO4)2	data_[K4Sm4W8O32] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.2892] _cell_length_b [10.8689...	3.823	0.002	0.6067	0.0042
MP	K3Ce2(NO3)9	data_[K12Ce8N36O108] 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 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_132] _cell_length_a [13.6726] _cell_length_b [13...	2.986	0.032	0.5471	0.0383
MP	Mn(O2F)2	data_[Mn4O16F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [12.1898] _cell_length_b [5.4803] _cell_length_c [6.9004] _ce...	0.781	0.221	0.272	0.1678
MP	AgBiSe2	data_[Ag4Bi4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Bi 2.0200 1.6000 1.0350 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [5.8625] _cell_length_b [5.8625] _cell_length_c [11.8830...	0.021	0.054	0.019	0.0577
MP	YAgSe2	data_[Y4Ag4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [4.2866] _cell_length_b [6.8558] _cell_length_c [13.8661...	1.28	0.0	0.3617	0.0
MP	Rb2Se5	data_[Rb8Se20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [7.0649] _cell_length_b [7.3374] _cell_length_c [18.7629] _cell_angle_alpha [90.0000]...	0.836	0.19	0.2834	0.1503
MP	SbS2O9	data_[Sb8S16O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [13.7962] _cell_length_b [11.0809] _cell_length_c [9.2868] _...	0.113	0.31	0.0707	0.2136
MP	Pd(PbBr3)2	data_[Pd2Pb4Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pd 2.2000 1.4000 0.8462 Pb 2.3300 1.8000 1.1225 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.7997] _cell_length_b [6.9328] _cell_length_c [8.3833] ...	1.272	0.02	0.3604	0.0264
MP	NaV2(PO4)3	data_[Na4V8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.5165] _cell_length_b [8.860...	1.308	0.02	0.3659	0.0264
MP	Cs5In3As4	data_[Cs40In24As32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 In 1.7800 1.5500 0.9400 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [17.3526] _cell_length_b [12.5515] _cell_length_c [18.5...	0.942	0.0	0.3041	0.0
MP	Rb3Sc2(AsO4)3	data_[Rb48Sc32As48O192] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sc 1.3600 1.6000 0.8850 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [17.1996] _cell_length_b ...	3.836	0.0	0.6075	0.0
MP	FeBiO3	data_[Fe6Bi6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3c] _cell_length_a [5.6156] _cell_length_b [5.6156] _cell_length_c [14.0816] _cel...	1.279	0.002	0.3615	0.0042
MP	KMgP(H6O5)2	data_[K2Mg2P2H24O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mg 1.3100 1.5000 0.8600 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 [Pmn2_1] _cell_length_a ...	4.942	0.003	0.6702	0.0058
MP	CeTl2(PO3)5	data_[Ce4Tl8P20O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Tl 1.6200 1.9000 1.3325 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [8.6988] _cell_length_b [11.9302...	3.558	0.005	0.5892	0.0088
MP	Re2Pt(CO)12	data_[Re2Pt1C12O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 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 [P-1] _cell_length_a [6.5397] _cell_length_b [7.2717...	1.828	0.243	0.4355	0.1797
MP	K2RbLuV2O8	data_[K2Rb1Lu1V2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 Lu 1.2700 1.7500 1.0010 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [...	3.374	0.0	0.5763	0.0
MP	Li4MnP2O9	data_[Li16Mn4P8O36] 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/m] _cell_length_a [14.1889] _cell_length_b [6.78...	1.614	0.022	0.4089	0.0285
MP	Ho8Ga3Co	data_[Ho16Ga6Co2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Ga 1.8100 1.3000 0.7600 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [9.9766] _cell_length_b [9.9766] _cell_length_c [6.8415] ...	0.007	0.0	0.0079	0.0
MP	LiH6IO7	data_[Li2H12I2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 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 [P-1] _cell_length_a [5.7610] _cell_length_b [5.8748] ...	2.36	0.014	0.4923	0.0199
MP	Cs3Y2Br9	data_[Cs18Y12Br54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Y 1.2200 1.8000 1.0400 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [13.9998] _cell_length_b [13.9998] _cell_length_c [20.1009]...	4.068	0.0	0.6219	0.0
MP	Nd2As3Au	data_[Nd2As3Au1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 As 2.1800 1.1500 0.6600 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.4687] _cell_length_b [8.4687] _cell_length_c [37.8761] ...	0.119	3.273	0.0735	0.8207
MP	Y(IO3)3	data_[Y4I12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.8173] _cell_length_b [6.1523] _cell_length_c [16.7628] _cel...	3.522	0.0	0.5867	0.0
MP	InP	data_[In4P4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [5.9567] _cell_length_b [5.9567] _cell_length_c [5.9567] _cell_angle_alpha [90.0000] _cell_an...	0.455	0.0	0.1926	0.0
MP	K2MnPCO7	data_[K4Mn2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [...	1.116	0.0	0.3352	0.0
MP	HfPdAu2	data_[Hf2Pd2Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Pd 2.2000 1.4000 0.8462 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.1780] _cell_length_b [11.4642] _cell_length_c [16.2114] ...	0.54	2.517	0.2156	0.7315
MP	Mo12PH24C6N3O40	data_[Mo72P6H144C36N18O240] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_grou...	2.333	0.197	0.4897	0.1543
MP	Ag3SI3	data_[Ag6S2I6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [17.3403] _cell_length_b [23.0430] _cell_length_c [17.5896] _cell_...	0.366	1.116	0.1662	0.4835
MP	MnV4FeO12	data_[Mn2V8Fe2O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [10.2692] _cell_length_b [9.2692]...	2.008	0.02	0.456	0.0264
MP	Na3PrTi2Nb2O12	data_[Na3Pr1Ti2Nb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Pr 1.1300 1.8500 1.0600 Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...	2.278	0.012	0.4843	0.0176
MP	Mg3(HO2)2	data_[Mg6H4O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.0728] _cell_length_b [3.0728] _cell_length_c [19.7783] _cell...	3.77	0.017	0.6033	0.0232
MP	UH6C3SeN2O7	data_[U4H24C12Se4N8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 Se 2.5500 1.1500 1.0133 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_na...	2.213	0.145	0.4777	0.123
MP	Ba3Ce2C5O15F2	data_[Ba12Ce8C20O60F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ce 1.1200 1.8500 1.0800 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2] _cell_length_a [...	0.256	0.028	0.1293	0.0345
MP	LiSi2BO6	data_[Li8Si16B8O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Si 1.9000 1.1000 0.5400 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.0804] _cell_length_b [13.25...	5.843	0.005	0.7124	0.0088
MP	Ba2AlCuF9	data_[Ba4Al2Cu2F18] 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 Cu 1.9000 1.3500 0.8200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.4937] _cell_length_b [7.44...	0.146	0.017	0.0857	0.0232
MP	KEuAsS3	data_[K4Eu4As4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Eu 1.2000 1.8500 1.1985 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.9852] _cell_length_b [8.36...	0.527	0.001	0.2122	0.0024
MP	AcN	data_[Ac2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ac 1.1000 1.9500 1.2600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [4.2553] _cell_length_b [4.2553] _cell_length_c [6.4463] _cell_angle_alpha [90.0000] _cell_a...	0.052	0.0	0.0389	0.0
MP	PrAsSe	data_[Pr4As4Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 As 2.1800 1.1500 0.6600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [18.2415] _cell_length_b [4.0223] _cell_length_c [4.1067] _c...	0.101	0.0	0.0649	0.0
MP	Ti3Mn2Sb(PO4)6	data_[Ti9Mn6Sb3P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 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 ...	0.037	0.051	0.0298	0.0552
MP	K2NiP4(HO2)8	data_[K2Ni1P4H8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9...	4.544	0.0	0.6493	0.0
MP	Li2Ti3O7	data_[Li4Ti6O14] 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 [P2_1/m] _cell_length_a [7.6488] _cell_length_b [3.7598] _cell_length_c [9.4203] _c...	2.982	0.015	0.5468	0.021
MP	LiIn(MoO4)2	data_[Li4In4Mo8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 In 1.7800 1.5500 0.9400 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.2646] _cell_length_b [8....	3.661	0.015	0.5961	0.021
MP	Li2Mo(PO4)2	data_[Li4Mo2P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [8.1427] _cell_length_b [5.5006] ...	1.515	0.057	0.3957	0.0602
MP	CdP2Xe5F22	data_[Cd4P8Xe20F88] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 P 2.1900 1.0000 0.5500 Xe 2.6000 2.16 0.6200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [14.8210] _cell_length_b [17.7...	2.456	0.0	0.5015	0.0
MP	Na2TmMoPO8	data_[Na16Tm8Mo8P8O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Tm 1.2500 1.7500 1.0950 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ibca] _cell_length_...	4.224	0.004	0.6312	0.0073
MP	Mn4Si7	data_[Mn16Si28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P-4c2] _cell_length_a [5.5031] _cell_length_b [5.5031] _cell_length_c [17.3586] _cell_angle_alpha [90.0000] _ce...	0.756	0.0	0.2666	0.0
MP	Sr2SnS4	data_[Sr8Sn4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [10.1160] _cell_length_b [10.5229] _cell_length_c [7.3228] _c...	2.478	0.0	0.5035	0.0
MP	Bi14SO24	data_[Bi28S2O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [12.4769] _cell_length_b [17.3096] _cell_length_c [8.8044] _cell...	2.707	0.0	0.524	0.0
MP	Al2O3	data_[Al32O48] 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 [P2/c] _cell_length_a [5.6569] _cell_length_b [5.6580] _cell_length_c [24.2661] _cell_angle_alpha [90.0000] _cell_...	4.314	0.035	0.6364	0.0411
MP	MgU2(SiO9)2	data_[Mg2U4Si4O36] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [16.7571] _cell_length_b [6.954...	0.034	0.636	0.0279	0.3454
MP	FeP3H18C6(SO)6	data_[Fe4P12H72C24S24O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_...	1.752	0.158	0.4263	0.1311
MP	Li2VBO4	data_[Li8V4B4O16] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [10.9039] _cell_length_b [5.8892]...	2.164	0.115	0.4727	0.1033
MP	Mg2Tl2(MoO4)3	data_[Mg8Tl8Mo12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Tl 1.6200 1.9000 1.3325 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [10.9995] _cell_length_b [1...	3.886	0.0	0.6107	0.0
MP	Ba3Sc2N4	data_[Ba12Sc8N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sc 1.3600 1.6000 0.8850 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [6.4895] _cell_length_b [11.2087] _cell_length_c [10.4511] _...	1.604	0.123	0.4076	0.1087
MP	SrCa5N4	data_[Sr2Ca10N8] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [7.6986] _cell_length_b [8.7572] _cell_length_c [5.9539] _cel...	0.421	0.121	0.1828	0.1073
MP	KAu(NO3)4	data_[K2Au2N8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Au 2.5400 1.3500 1.0700 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.6604] _cell_length_b [7.3453...	2.009	0.0	0.4561	0.0
MP	K2SnCl6	data_[K8Sn4Cl24] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.2386] _cell_length_b [10.2386] _cell_length_c [10.2386] ...	2.471	0.008	0.5029	0.0128
MP	Ba(C4N3)2	data_[Ba3C24N18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P31m] _cell_length_a [14.7782] _cell_length_b [14.7782] _cell_length_c [4.4872] _ce...	3.505	0.229	0.5855	0.1722
MP	BaCeN2	data_[Ba2Ce2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ce 1.1200 1.8500 1.0800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.6980] _cell_length_b [3.6980] _cell_length_c [12.6954] ...	0.648	0.0	0.2423	0.0
MP	MgFeO3	data_[Mg6Fe6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [5.0877] _cell_length_b [5.0877] _cell_length_c [13.8838] _cell...	0.229	0.114	0.1194	0.1026
MP	LaH18C3S3(O2F)9	data_[La2H36C6S6O36F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_na...	5.363	0.144	0.6907	0.1224
MP	KSr2Br5	data_[K4Sr8Br20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sr 0.9500 2.0000 1.3200 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.4239] _cell_length_b [8.4942] _cell_length_c [13.5887] _...	4.233	0.0	0.6317	0.0
MP	Na3BiO3	data_[Na24Bi8O24] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [10.3410] _cell_length_b [10.3541] _cell_length_c [11.3385] _...	2.828	0.037	0.5343	0.0429
MP	Al2AgCl5O	data_[Al16Ag8Cl40O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [11.5448] _cell_length_b [12...	3.441	0.0	0.5811	0.0
MP	Li10Si(PO6)2	data_[Li20Si2P4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Si 1.9000 1.1000 0.5400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2mc] _cell_length_a [7.0394] _cell_length_b [7.0...	5.254	0.108	0.6856	0.0985
MP	BaLaCl5	data_[Ba8La8Cl40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 La 1.1000 1.9500 1.1720 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.0239] _cell_length_b [15.7739] _cell_length_c [10.537...	3.433	0.062	0.5805	0.0643
MP	Na5Sc(C2O7)2	data_[Na10Sc2C8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sc 1.3600 1.6000 0.8850 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-42_1c] _cell_length_a [7.4642] _cell_length_b [7....	0.446	0.116	0.1901	0.104
MP	LiI	data_[Li4I4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.0257] _cell_length_b [6.0257] _cell_length_c [6.0257] _cell_angle_alpha [90.0000] _cell_an...	4.231	0.029	0.6316	0.0354
MP	LiPaO3	data_[Li1Pa1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Pa 1.5000 1.8000 1.0400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.3394] _cell_length_b [4.3394] _cell_length_c [4.3394] _cel...	3.195	0.0	0.5632	0.0
MP	NaFe2Mo2H3O10	data_[Na2Fe4Mo4H6O20] 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 Mo 2.1600 1.4500 0.7750 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [...	2.87	0.0	0.5378	0.0
MP	Ba3Ge2(B3O8)2	data_[Ba3Ge2B6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ge 2.0100 1.2500 0.7700 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.1663] _cell_length_b [7.7235]...	4.176	0.0	0.6284	0.0
MP	NdH16N7O19	data_[Nd4H64N28O76] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [11.2396] _cell_length_b [9.0958]...	3.493	0.093	0.5847	0.0879
MP	KCoH2CN4O7	data_[K4Co4H8C4N16O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Co 1.8800 1.3500 0.7683 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_nam...	0.713	1.146	0.2572	0.4907
MP	K3Nb(SO4)4	data_[K12Nb4S16O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nb 1.6000 1.4500 0.8200 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.1595] _cell_length_b [12.755...	2.966	0.0	0.5455	0.0
MP	La3SiAgSe7	data_[La6Si2Ag2Se14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Si 1.9000 1.1000 0.5400 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.9162] _cell_length_b [1...	1.653	0.0	0.4139	0.0
MP	Li3V2(OF)4	data_[Li6V4O8F8] 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 [4.9878] _cell_length_b [7.3456] _ce...	1.33	0.078	0.3692	0.0768
MP	NaCa(PO3)3	data_[Na2Ca2P6O18] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.8106] _cell_length_b [7.0424]...	5.449	0.0	0.6947	0.0
MP	Gd3NbO7	data_[Gd12Nb4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [10.7815] _cell_length_b [7.4496] _cell_length_c [7.6052] _c...	2.231	0.023	0.4796	0.0295
MP	K2TlCl5O2	data_[K8Tl4Cl20O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Tl 1.6200 1.9000 1.3325 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 [9.8852] _cell_length_b [12.8...	0.376	0.626	0.1693	0.3419
MP	Zn2Ga2S5	data_[Zn4Ga4S10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ga 1.8100 1.3000 0.7600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.6992] _cell_length_b [3.6992] _cell_length_c [30.2607]...	0.76	0.139	0.2675	0.1192
MP	Sr5(PbN3)2	data_[Sr20Pb8N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.6627] _cell_length_b [6.4748] _cell_length_c [14.6141] _...	1.016	0.361	0.3178	0.2375

MP

Ca5Hf2N6

data_[Ca20Hf8N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Hf 1.3000 1.5500 0.8500 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.9913] _cell_length_b [6.0853] _cell_length_c [14.6251] _...

1.375

0.218

0.3759

0.1661

MP

K3GdCl6

data_[K12Gd4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Gd 1.2000 1.8000 1.0750 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.2832] _cell_length_b [11.2832] _cell_length_c [11.2832]...

3.184

0.07

0.5624

0.0706

MP

Ta2WO8

data_[Ta16W8O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [3.8843] _cell_length_b [18.1184] _cell_length_c [16.9464] _cell...

1.939

0.01

0.4483

0.0152

MP

BaCu2Ge2O7

data_[Ba4Cu8Ge8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Cu 1.9000 1.3500 0.8200 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.1623] _cell_length_b [13.3...

0.214

0.01

0.1137

0.0152

MP

LiUO3

data_[Li6U6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 U 1.3800 1.7500 0.9913 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3c] _cell_length_a [5.4806] _cell_length_b [5.4806] _cell_length_c [15.0569] _cell_...

0.443

0.0

0.1892

0.0

MP

Na2CoP4(H2O3)6

data_[Na4Co2P8H24O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Co 1.8800 1.3500 0.7683 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/m] _cell_length_...

2.861

0.04

0.537

0.0456

MP

Sr(IO3)2

data_[Sr2I4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [6.1967] _cell_length_b [5.4476] _cell_length_c [10.6079] _cell...

3.861

0.029

0.6091

0.0354

MP

La2SeO2

data_[La2Se1O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.0988] _cell_length_b [4.0988] _cell_length_c [7.1871] _cel...

2.407

0.0

0.4968

0.0

MP

Rb2(ReS2)3

data_[Rb16Re24S48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Re 1.9000 1.3500 0.7125 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [17.1625] _cell_length_b [9.9629] _cell_length_c [12.1834] ...

1.427

0.0

0.3834

0.0

MP

Na4Al3Si3IO12

data_[Na8Al6Si6I2O24] 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 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-43n] _cell_length_...

4.151

0.0

0.6269

0.0

MP

SiC

data_[Si51C51] 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 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [3.0921] _cell_length_b [3.0921] _cell_length_c [129.0641] _cell_angle_alpha [90.0000] _cell_...

2.004

0.0

0.4556

0.0

MP

Sr3LaNb3O12

data_[Sr9La3Nb9O36] 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 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [5.7320] _cell_length_b [5.7320...

3.114

0.013

0.5571

0.0188

MP

Ca3B6(H4O5)4

data_[Ca12B24H64O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 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 [C2/c] _cell_length_a [13.1962] _cell_length_b [9.59...

5.41

0.01

0.6929

0.0152

MP

Ca2AsAu

data_[Ca8As4Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 As 2.1800 1.1500 0.6600 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.2771] _cell_length_b [7.2771] _cell_length_c [7.2771] _c...

0.198

0.04

0.1074

0.0456

MP

Nd12Si5Se28

data_[Nd12Si5Se28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Si 1.9000 1.1000 0.5400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [10.6135] _cell_length_b [12.1330] _cell_length_c [12.2114] ...

0.925

0.007

0.3009

0.0115

MP

P(HO)4

data_[P8H32O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pccn] _cell_length_a [6.7042] _cell_length_b [11.7224] _cell_length_c [9.5707] _cell_...

5.923

0.021

0.7158

0.0275

MP

Si60Te13P32Se3

data_[Si60Te13P32Se3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 Te 2.1000 1.4000 1.2933 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pmmm] _cell_length_a [10.0182] _cell_length_b [1...

0.928

0.06

0.3015

0.0626

MP

Li5Ti4Co3O16

data_[Li10Ti8Co6O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.3162] _cell_length_b [8.424...

0.36

0.111

0.1643

0.1005

MP

Li2NiSnO4

data_[Li2Ni1Sn1O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ni 1.9100 1.3500 0.7400 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.2295] _cell_length_b [3.093...

2.445

0.012

0.5004

0.0176

MP

NaP

data_[Na8P8] 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 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [5.6696] _cell_length_b [6.0644] _cell_length_c [10.1582] _cell_angle_alpha [90.0000] _c...

0.868

0.0

0.2898

0.0

MP

KSm(WO4)2

data_[K4Sm4W8O32] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.2892] _cell_length_b [10.8689...

3.823

0.002

0.6067

0.0042

MP

K3Ce2(NO3)9

data_[K12Ce8N36O108] 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 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_132] _cell_length_a [13.6726] _cell_length_b [13...

2.986

0.032

0.5471

0.0383

MP

Mn(O2F)2

data_[Mn4O16F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [12.1898] _cell_length_b [5.4803] _cell_length_c [6.9004] _ce...

0.781

0.221

0.272

0.1678

MP

AgBiSe2

data_[Ag4Bi4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Bi 2.0200 1.6000 1.0350 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [5.8625] _cell_length_b [5.8625] _cell_length_c [11.8830...

0.021

0.054

0.019

0.0577

MP

YAgSe2

data_[Y4Ag4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [4.2866] _cell_length_b [6.8558] _cell_length_c [13.8661...

1.28

0.0

0.3617

0.0

MP

Rb2Se5

data_[Rb8Se20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [7.0649] _cell_length_b [7.3374] _cell_length_c [18.7629] _cell_angle_alpha [90.0000]...

0.836

0.19

0.2834

0.1503

MP

SbS2O9

data_[Sb8S16O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [13.7962] _cell_length_b [11.0809] _cell_length_c [9.2868] _...

0.113

0.31

0.0707

0.2136

MP

Pd(PbBr3)2

data_[Pd2Pb4Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pd 2.2000 1.4000 0.8462 Pb 2.3300 1.8000 1.1225 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.7997] _cell_length_b [6.9328] _cell_length_c [8.3833] ...

1.272

0.02

0.3604

0.0264

MP

NaV2(PO4)3

data_[Na4V8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.5165] _cell_length_b [8.860...

1.308

0.02

0.3659

0.0264

MP

Cs5In3As4

data_[Cs40In24As32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 In 1.7800 1.5500 0.9400 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [17.3526] _cell_length_b [12.5515] _cell_length_c [18.5...

0.942

0.0

0.3041

0.0

MP

Rb3Sc2(AsO4)3

data_[Rb48Sc32As48O192] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sc 1.3600 1.6000 0.8850 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [17.1996] _cell_length_b ...

3.836

0.0

0.6075

0.0

MP

FeBiO3

data_[Fe6Bi6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3c] _cell_length_a [5.6156] _cell_length_b [5.6156] _cell_length_c [14.0816] _cel...

1.279

0.002

0.3615

0.0042

MP

KMgP(H6O5)2

data_[K2Mg2P2H24O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mg 1.3100 1.5000 0.8600 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 [Pmn2_1] _cell_length_a ...

4.942

0.003

0.6702

0.0058

MP

CeTl2(PO3)5

data_[Ce4Tl8P20O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Tl 1.6200 1.9000 1.3325 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [8.6988] _cell_length_b [11.9302...

3.558

0.005

0.5892

0.0088

MP

Re2Pt(CO)12

data_[Re2Pt1C12O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 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 [P-1] _cell_length_a [6.5397] _cell_length_b [7.2717...

1.828

0.243

0.4355

0.1797

MP

K2RbLuV2O8

data_[K2Rb1Lu1V2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 Lu 1.2700 1.7500 1.0010 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [...

3.374

0.0

0.5763

0.0

MP

Li4MnP2O9

data_[Li16Mn4P8O36] 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/m] _cell_length_a [14.1889] _cell_length_b [6.78...

1.614

0.022

0.4089

0.0285

MP

Ho8Ga3Co

data_[Ho16Ga6Co2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Ga 1.8100 1.3000 0.7600 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [9.9766] _cell_length_b [9.9766] _cell_length_c [6.8415] ...

0.007

0.0

0.0079

0.0

MP

LiH6IO7

data_[Li2H12I2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 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 [P-1] _cell_length_a [5.7610] _cell_length_b [5.8748] ...

2.36

0.014

0.4923

0.0199

MP

Cs3Y2Br9

data_[Cs18Y12Br54] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Y 1.2200 1.8000 1.0400 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [13.9998] _cell_length_b [13.9998] _cell_length_c [20.1009]...

4.068

0.0

0.6219

0.0

MP

Nd2As3Au

data_[Nd2As3Au1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 As 2.1800 1.1500 0.6600 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.4687] _cell_length_b [8.4687] _cell_length_c [37.8761] ...

0.119

3.273

0.0735

0.8207

MP

Y(IO3)3

data_[Y4I12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.8173] _cell_length_b [6.1523] _cell_length_c [16.7628] _cel...

3.522

0.0

0.5867

0.0

MP

InP

data_[In4P4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [5.9567] _cell_length_b [5.9567] _cell_length_c [5.9567] _cell_angle_alpha [90.0000] _cell_an...

0.455

0.0

0.1926

0.0

MP

K2MnPCO7

data_[K4Mn2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [...

1.116

0.0

0.3352

0.0

MP

HfPdAu2

data_[Hf2Pd2Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Pd 2.2000 1.4000 0.8462 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.1780] _cell_length_b [11.4642] _cell_length_c [16.2114] ...

0.54

2.517

0.2156

0.7315

MP

Mo12PH24C6N3O40

data_[Mo72P6H144C36N18O240] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_grou...

2.333

0.197

0.4897

0.1543

MP

Ag3SI3

data_[Ag6S2I6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [17.3403] _cell_length_b [23.0430] _cell_length_c [17.5896] _cell_...

0.366

1.116

0.1662

0.4835

MP

MnV4FeO12

data_[Mn2V8Fe2O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [10.2692] _cell_length_b [9.2692]...

2.008

0.02

0.456

0.0264

MP

Na3PrTi2Nb2O12

data_[Na3Pr1Ti2Nb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Pr 1.1300 1.8500 1.0600 Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...

2.278

0.012

0.4843

0.0176

MP

Mg3(HO2)2

data_[Mg6H4O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.0728] _cell_length_b [3.0728] _cell_length_c [19.7783] _cell...

3.77

0.017

0.6033

0.0232

MP

UH6C3SeN2O7

data_[U4H24C12Se4N8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 Se 2.5500 1.1500 1.0133 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_na...

2.213

0.145

0.4777

0.123

MP

Ba3Ce2C5O15F2

data_[Ba12Ce8C20O60F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ce 1.1200 1.8500 1.0800 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2] _cell_length_a [...

0.256

0.028

0.1293

0.0345

MP

LiSi2BO6

data_[Li8Si16B8O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Si 1.9000 1.1000 0.5400 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.0804] _cell_length_b [13.25...

5.843

0.005

0.7124

0.0088

MP

Ba2AlCuF9

data_[Ba4Al2Cu2F18] 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 Cu 1.9000 1.3500 0.8200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [5.4937] _cell_length_b [7.44...

0.146

0.017

0.0857

0.0232

MP

KEuAsS3

data_[K4Eu4As4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Eu 1.2000 1.8500 1.1985 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.9852] _cell_length_b [8.36...

0.527

0.001

0.2122

0.0024

MP

AcN

data_[Ac2N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ac 1.1000 1.9500 1.2600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [4.2553] _cell_length_b [4.2553] _cell_length_c [6.4463] _cell_angle_alpha [90.0000] _cell_a...

0.052

0.0

0.0389

0.0

MP

PrAsSe

data_[Pr4As4Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 As 2.1800 1.1500 0.6600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [18.2415] _cell_length_b [4.0223] _cell_length_c [4.1067] _c...

0.101

0.0

0.0649

0.0

MP

Ti3Mn2Sb(PO4)6

data_[Ti9Mn6Sb3P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 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 ...

0.037

0.051

0.0298

0.0552

MP

K2NiP4(HO2)8

data_[K2Ni1P4H8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.9...

4.544

0.0

0.6493

0.0

MP

Li2Ti3O7

data_[Li4Ti6O14] 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 [P2_1/m] _cell_length_a [7.6488] _cell_length_b [3.7598] _cell_length_c [9.4203] _c...

2.982

0.015

0.5468

0.021

MP

LiIn(MoO4)2

data_[Li4In4Mo8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 In 1.7800 1.5500 0.9400 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.2646] _cell_length_b [8....

3.661

0.015

0.5961

0.021

MP

Li2Mo(PO4)2

data_[Li4Mo2P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [8.1427] _cell_length_b [5.5006] ...

1.515

0.057

0.3957

0.0602

MP

CdP2Xe5F22

data_[Cd4P8Xe20F88] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 P 2.1900 1.0000 0.5500 Xe 2.6000 2.16 0.6200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [14.8210] _cell_length_b [17.7...

2.456

0.0

0.5015

0.0

MP

Na2TmMoPO8

data_[Na16Tm8Mo8P8O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Tm 1.2500 1.7500 1.0950 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ibca] _cell_length_...

4.224

0.004

0.6312

0.0073

MP

Mn4Si7

data_[Mn16Si28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P-4c2] _cell_length_a [5.5031] _cell_length_b [5.5031] _cell_length_c [17.3586] _cell_angle_alpha [90.0000] _ce...

0.756

0.0

0.2666

0.0

MP

Sr2SnS4

data_[Sr8Sn4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [10.1160] _cell_length_b [10.5229] _cell_length_c [7.3228] _c...

2.478

0.0

0.5035

0.0

MP

Bi14SO24

data_[Bi28S2O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [12.4769] _cell_length_b [17.3096] _cell_length_c [8.8044] _cell...

2.707

0.0

0.524

0.0

MP

Al2O3

data_[Al32O48] 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 [P2/c] _cell_length_a [5.6569] _cell_length_b [5.6580] _cell_length_c [24.2661] _cell_angle_alpha [90.0000] _cell_...

4.314

0.035

0.6364

0.0411

MP

MgU2(SiO9)2

data_[Mg2U4Si4O36] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [16.7571] _cell_length_b [6.954...

0.034

0.636

0.0279

0.3454

MP

FeP3H18C6(SO)6

data_[Fe4P12H72C24S24O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_...

1.752

0.158

0.4263

0.1311

MP

Li2VBO4

data_[Li8V4B4O16] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [10.9039] _cell_length_b [5.8892]...

2.164

0.115

0.4727

0.1033

MP

Mg2Tl2(MoO4)3

data_[Mg8Tl8Mo12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Tl 1.6200 1.9000 1.3325 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [10.9995] _cell_length_b [1...

3.886

0.0

0.6107

0.0

MP

Ba3Sc2N4

data_[Ba12Sc8N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sc 1.3600 1.6000 0.8850 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [6.4895] _cell_length_b [11.2087] _cell_length_c [10.4511] _...

1.604

0.123

0.4076

0.1087

MP

SrCa5N4

data_[Sr2Ca10N8] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [7.6986] _cell_length_b [8.7572] _cell_length_c [5.9539] _cel...

0.421

0.121

0.1828

0.1073

MP

KAu(NO3)4

data_[K2Au2N8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Au 2.5400 1.3500 1.0700 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.6604] _cell_length_b [7.3453...

2.009

0.0

0.4561

0.0

MP

K2SnCl6

data_[K8Sn4Cl24] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.2386] _cell_length_b [10.2386] _cell_length_c [10.2386] ...

2.471

0.008

0.5029

0.0128

MP

Ba(C4N3)2

data_[Ba3C24N18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P31m] _cell_length_a [14.7782] _cell_length_b [14.7782] _cell_length_c [4.4872] _ce...

3.505

0.229

0.5855

0.1722

MP

BaCeN2

data_[Ba2Ce2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ce 1.1200 1.8500 1.0800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.6980] _cell_length_b [3.6980] _cell_length_c [12.6954] ...

0.648

0.0

0.2423

0.0

MP

MgFeO3

data_[Mg6Fe6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [5.0877] _cell_length_b [5.0877] _cell_length_c [13.8838] _cell...

0.229

0.114

0.1194

0.1026

MP

LaH18C3S3(O2F)9

data_[La2H36C6S6O36F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_na...

5.363

0.144

0.6907

0.1224

MP

KSr2Br5

data_[K4Sr8Br20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sr 0.9500 2.0000 1.3200 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.4239] _cell_length_b [8.4942] _cell_length_c [13.5887] _...

4.233

0.0

0.6317

0.0

MP

Na3BiO3

data_[Na24Bi8O24] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [10.3410] _cell_length_b [10.3541] _cell_length_c [11.3385] _...

2.828

0.037

0.5343

0.0429

MP

Al2AgCl5O

data_[Al16Ag8Cl40O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Ag 1.9300 1.6000 1.0867 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [11.5448] _cell_length_b [12...

3.441

0.0

0.5811

0.0

MP

Li10Si(PO6)2

data_[Li20Si2P4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Si 1.9000 1.1000 0.5400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2mc] _cell_length_a [7.0394] _cell_length_b [7.0...

5.254

0.108

0.6856

0.0985

MP

BaLaCl5

data_[Ba8La8Cl40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 La 1.1000 1.9500 1.1720 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.0239] _cell_length_b [15.7739] _cell_length_c [10.537...

3.433

0.062

0.5805

0.0643

MP

Na5Sc(C2O7)2

data_[Na10Sc2C8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sc 1.3600 1.6000 0.8850 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-42_1c] _cell_length_a [7.4642] _cell_length_b [7....

0.446

0.116

0.1901

0.104

MP

LiI

data_[Li4I4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.0257] _cell_length_b [6.0257] _cell_length_c [6.0257] _cell_angle_alpha [90.0000] _cell_an...

4.231

0.029

0.6316

0.0354

MP

LiPaO3

data_[Li1Pa1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Pa 1.5000 1.8000 1.0400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.3394] _cell_length_b [4.3394] _cell_length_c [4.3394] _cel...

3.195

0.0

0.5632

0.0

MP

NaFe2Mo2H3O10

data_[Na2Fe4Mo4H6O20] 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 Mo 2.1600 1.4500 0.7750 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [...

2.87

0.0

0.5378

0.0

MP

Ba3Ge2(B3O8)2

data_[Ba3Ge2B6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ge 2.0100 1.2500 0.7700 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.1663] _cell_length_b [7.7235]...

4.176

0.0

0.6284

0.0

MP

NdH16N7O19

data_[Nd4H64N28O76] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [11.2396] _cell_length_b [9.0958]...

3.493

0.093

0.5847

0.0879

MP

KCoH2CN4O7

data_[K4Co4H8C4N16O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Co 1.8800 1.3500 0.7683 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_nam...

0.713

1.146

0.2572

0.4907

MP

K3Nb(SO4)4

data_[K12Nb4S16O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nb 1.6000 1.4500 0.8200 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.1595] _cell_length_b [12.755...

2.966

0.0

0.5455

0.0

MP

La3SiAgSe7

data_[La6Si2Ag2Se14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Si 1.9000 1.1000 0.5400 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.9162] _cell_length_b [1...

1.653

0.0

0.4139

0.0

MP

Li3V2(OF)4

data_[Li6V4O8F8] 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 [4.9878] _cell_length_b [7.3456] _ce...

1.33

0.078

0.3692

0.0768

MP

NaCa(PO3)3

data_[Na2Ca2P6O18] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.8106] _cell_length_b [7.0424]...

5.449

0.0

0.6947

0.0

MP

Gd3NbO7

data_[Gd12Nb4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [10.7815] _cell_length_b [7.4496] _cell_length_c [7.6052] _c...

2.231

0.023

0.4796

0.0295

MP

K2TlCl5O2

data_[K8Tl4Cl20O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Tl 1.6200 1.9000 1.3325 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 [9.8852] _cell_length_b [12.8...

0.376

0.626

0.1693

0.3419

MP

Zn2Ga2S5

data_[Zn4Ga4S10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ga 1.8100 1.3000 0.7600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.6992] _cell_length_b [3.6992] _cell_length_c [30.2607]...

0.76

0.139

0.2675

0.1192

MP

Sr5(PbN3)2

data_[Sr20Pb8N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.6627] _cell_length_b [6.4748] _cell_length_c [14.6141] _...

1.016

0.361

0.3178

0.2375