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	LiFeF4	data_[Li8Fe8F32] 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 [Pnma] _cell_length_a [11.0668] _cell_length_b [7.4996] _cell_length_c [7.7136] _ce...	2.929	0.081	0.5426	0.079
MP	BN	data_[B4N4] 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 [P4_2/mnm] _cell_length_a [4.4242] _cell_length_b [4.4242] _cell_length_c [2.5504] _cell_angle_alpha [90.0000] _cell_a...	4.778	0.179	0.6618	0.1438
MP	Nd2Ge2O7	data_[Nd24Ge24O84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.0017] _cell_length_b [7.0080] _cell_length_c [38.1457] _c...	3.428	0.0	0.5802	0.0
MP	K2Ta2(OF2)3	data_[K8Ta8O12F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [10.4291] _cell_length_b [5.6840...	4.012	0.0	0.6185	0.0
MP	Li7Fe5O12	data_[Li14Fe10O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [5.2447] _cell_length_b [8.7650] _cell_length_c [9.6678] _cel...	0.05	0.016	0.0377	0.0221
MP	KB3O5	data_[K12B36O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.4291] _cell_length_b [6.7337] _cell_length_c [21.4440] _ce...	5.226	0.001	0.6842	0.0024
MP	SiO2	data_[Si16O32] 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 [P-1] _cell_length_a [5.1267] _cell_length_b [12.9469] _cell_length_c [14.9706] _cell_angle_alpha [103.3701] _cell...	5.696	0.016	0.7059	0.0221
MP	As2S5N4(OF6)2	data_[As4S10N8O4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 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 [P1] _cell_length_a [10....	0.533	0.536	0.2138	0.3095
MP	BaMo2C4O17	data_[Ba3Mo6C12O51] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3_1] _cell_length_a [10.9452] _cell_length_b [10.9...	2.87	0.634	0.5378	0.3447
MP	Li2NiPO4F	data_[Li16Ni8P8O32F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a ...	3.746	0.03	0.6017	0.0364
MP	Dy2Ge2O7	data_[Dy4Ge4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.3725] _cell_length_b [8.1106] _cell_length_c [7.6432] _c...	3.455	0.067	0.5821	0.0682
MP	TlInS2	data_[Tl16In16S32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 In 1.7800 1.5500 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.1468] _cell_length_b [11.1594] _cell_length_c [15.3783]...	1.291	0.006	0.3633	0.0101
MP	DyCrC6(N3O2)2	data_[Dy4Cr4C24N24O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a...	1.788	1.041	0.4307	0.4648
MP	La3As2BrO7	data_[La12As8Br4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 As 2.1800 1.1500 0.6600 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [13.1739] _cell_length_b...	3.109	0.0	0.5567	0.0
MP	NaZn(PO3)3	data_[Na16Zn16P48O144] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zn 1.6500 1.3500 0.8800 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [14.4602] _cell_length_b [1...	4.826	0.012	0.6643	0.0176
MP	Na3MnO4	data_[Na12Mn4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [7.8946] _cell_length_b [7.8946] _cell_length_c [7.8946] _c...	1.83	0.073	0.4357	0.0729
MP	Li2VOF4	data_[Li8V4O4F16] 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 [P2_12_12_1] _cell_length_a [5.4481] _cell_length_b [7....	2.637	0.068	0.5179	0.069
MP	Na4P3H3O11	data_[Na16P12H12O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [6.9562] _cell_length_b [12.08...	4.996	0.01	0.6729	0.0152
MP	Na3HfF7	data_[Na6Hf2F14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Hf 1.3000 1.5500 0.8500 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [7.7027] _cell_length_b [7.8188] _cell_length_c [6.2696] _cell_...	5.532	0.016	0.6985	0.0221
MP	BaH6C4O7	data_[Ba2H12C8O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.6319] _cell_length_b [8.3912] ...	2.648	0.157	0.5189	0.1305
MP	Cs2Li2B2P4O15	data_[Cs4Li4B4P8O30] 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 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 [7...	5.601	0.0	0.7017	0.0
MP	FeH8C4(S2N3)2	data_[Fe1H8C4S4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.94...	0.577	0.121	0.2251	0.1073
MP	Zn2AsHO5	data_[Zn8As4H4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [8.4649] _cell_length_b [8.6486...	1.968	0.0	0.4516	0.0
MP	Rb6CuAgO4	data_[Rb24Cu4Ag4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Cu 1.9000 1.3500 0.8200 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_1] _cell_length_a [9.1450] _cell_length_b [9.1...	1.134	0.007	0.3382	0.0115
MP	La2CdTe4	data_[La8Cd4Te16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cd 1.6900 1.5500 1.0900 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [9.4851] _cell_length_b [9.4851] _cell_length_c [10.1220] ...	0.624	0.117	0.2366	0.1046
MP	BaV2ZnO7	data_[Ba4V8Zn4O28] 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 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.6672] _cell_length_b [15.4...	3.058	0.01	0.5528	0.0152
MP	CdH4S2O5	data_[Cd4H16S8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.9158] _cell_length_b [7.229...	3.322	0.088	0.5726	0.0842
MP	Ag8Sb5As3S16	data_[Ag8Sb5As3S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Sb 2.0500 1.4500 0.8300 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.9736] _cell_length_b [8.8120...	1.026	0.015	0.3196	0.021
MP	Zn(FeO2)2	data_[Zn8Fe16O32] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [8.5379] _cell_length_b [8.5379] _cell_length_c [8.5379] _c...	1.669	0.0	0.416	0.0
MP	Li2SnBPO7	data_[Li4Sn2B2P2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sn 1.9600 1.4500 0.8300 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a...	2.908	0.098	0.5409	0.0914
MP	K2Sn2O3	data_[K8Sn8O12] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I2_13] _cell_length_a [8.5142] _cell_length_b [8.5142] _cell_length_c [8.5142] _cell...	1.302	0.0	0.365	0.0
MP	AlAgTe2	data_[Al4Ag4Te8] 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 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [6.4185] _cell_length_b [6.4185] _cell_length_c [12.2412] _...	1.047	0.0	0.3233	0.0
MP	Ba4In2O7	data_[Ba16In8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [6.0292] _cell_length_b [29.0971] _cell_length_c [6.0447] _c...	1.472	0.088	0.3898	0.0842
MP	Mg(FeO2)2	data_[Mg12Fe24O48] 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 [Cm] _cell_length_a [10.3506] _cell_length_b [6.0026] _cell_length_c [14.6308] _c...	1.576	0.115	0.4039	0.1033
MP	InI2Br	data_[In2I4Br2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 I 2.6600 1.4000 1.2733 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.2391] _cell_length_b [7.3621] _cell_length_c [8.4135] _cell_a...	1.787	0.008	0.4306	0.0128
MP	Cr3AuO8	data_[Cr6Au2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Au 2.5400 1.3500 1.0700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.8586] _cell_length_b [5.5211] _cell_length_c [8.3547] _cel...	1.108	0.069	0.3338	0.0698
MP	CoSO4	data_[Co4S4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.6716] _cell_length_b [6.8104] _cell_length_c [4.8120] _cell_...	2.161	0.0	0.4724	0.0
MP	Sr(H2O3)2	data_[Sr4H16O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 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 [8.2413] _cell_length_b [6.0126] _cell_length_c [8.5318] _cell...	2.829	0.176	0.5344	0.142
MP	Li2Mn3TeO8	data_[Li4Mn6Te2O16] 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 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [6.0653] _cell_length_b [6....	0.14	0.003	0.0831	0.0058
MP	MnZn4S5	data_[Mn2Zn8S10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Zn 1.6500 1.3500 0.8800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.8746] _cell_length_b [3.8746] _cell_length_c [31.7094] _ce...	0.371	0.004	0.1678	0.0073
MP	Cs3W2N5	data_[Cs24W16N40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [I4_1] _cell_length_a [13.8627] _cell_length_b [13.8627] _cell_length_c [10.0878] _...	1.968	0.023	0.4516	0.0295
MP	KCaH3	data_[K4Ca4H12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ca 1.0000 1.8000 1.1400 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.3226] _cell_length_b [8.9330] _cell_length_c [6.3118] _cell_...	3.326	0.037	0.5729	0.0429
MP	Cs2KGaF6	data_[Cs8K4Ga4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 Ga 1.8100 1.3000 0.7600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.1572] _cell_length_b [9.157...	6.048	0.0	0.7211	0.0
MP	Rb2HgTe	data_[Rb4Hg2Te2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Hg 2.0000 1.5000 1.2450 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [13.1969] _cell_length_b [14.1942] _cell_length_c [18.3355] ...	0.284	0.702	0.1393	0.3674
MP	SbSeBr	data_[Sb4Se4Br4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.7004] _cell_length_b [4.0824] _cell_length_c [10.8667] _c...	1.438	0.0	0.385	0.0
MP	Ag2Ge(S2O7)3	data_[Ag12Ge6S36O126] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 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 [P-3] _cell_length_a [16.5737] _cell_length_b [16....	2.828	0.0	0.5343	0.0
MP	LiTl2Pd	data_[Li2Tl4Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tl 1.6200 1.9000 1.3325 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.0178] _cell_length_b [11.8086] _cell_length_c [16.6697] ...	0.008	1.218	0.0088	0.5076
MP	Mg17(SiO3)20	data_[Mg34Si40O120] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.3629] _cell_length_b [45.7436] _cell_length_c [9.5108] ...	0.131	0.065	0.079	0.0667
MP	SrPr2O4	data_[Sr4Pr8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Pr 1.1300 1.8500 1.0600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [10.4237] _cell_length_b [3.6174] _cell_length_c [12.4695] _c...	3.344	0.046	0.5742	0.0509
MP	SrH2	data_[Sr4H8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.3650] _cell_length_b [3.8612] _cell_length_c [7.3017] _cell_angle_alpha [90.0000] _cell_ang...	3.154	0.0	0.5601	0.0
MP	K2Mo(OF)4	data_[K8Mo4O16F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mo 2.1600 1.4500 0.7750 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 [6.3602] _cell_length_b [6.415...	0.018	0.249	0.0168	0.1829
MP	Rb2SnBr6	data_[Rb8Sn4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sn 1.9600 1.4500 0.8300 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.0041] _cell_length_b [11.0041] _cell_length_c [11.0041...	1.317	0.0	0.3673	0.0
MP	Na3InCl6	data_[Na6In2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 In 1.7800 1.5500 0.9400 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [7.0057] _cell_length_b [7.0057] _cell_length_c [12.5973] ...	3.786	0.0	0.6043	0.0
MP	Li4NbFe5O12	data_[Li8Nb2Fe10O24] 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 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.2699] _cell_length_b [9.1...	0.533	0.105	0.2138	0.0964
MP	Sr4(NiO3)3	data_[Sr12Ni9O27] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [9.5432] _cell_length_b [9.5432] _cell_length_c [7.8338] _ce...	1.332	0.0	0.3695	0.0
MP	TbNbO4	data_[Tb4Nb4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.6119] _cell_length_b [5.3865] _cell_length_c [7.6732] _c...	2.973	0.049	0.5461	0.0535
MP	In2S3	data_[In8S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [6.9681] _cell_length_b [12.1674] _cell_length_c [6.9140] _cell_angle_alpha [90.0000] _cell_ang...	1.604	0.047	0.4076	0.0518
MP	Ba2(InP)5	data_[Ba8In20P20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [17.4943] _cell_length_b [4.2314] _cell_length_c [17.7183] _...	0.308	0.008	0.1474	0.0128
MP	Na3TiCl6	data_[Na6Ti2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ti 1.5400 1.4000 0.8517 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.7614] _cell_length_b [7.1228] _cell_length_c [11.9963]...	0.067	0.029	0.0473	0.0354
MP	Er3Fe5O12	data_[Er24Fe40O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.4784] _cell_length_b [12.4784] _cell_length_c [12.4784...	1.677	0.035	0.417	0.0411
MP	Li3Mn2(SiO4)2	data_[Li6Mn4Si4O16] 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 [Pc] _cell_length_a [5.1256] _cell_length_b [6.2958...	0.381	0.087	0.1709	0.0835
MP	Cu6SnWS8	data_[Cu6Sn1W1S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Sn 1.9600 1.4500 0.8300 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [7.5960] _cell_length_b [7.5960...	0.021	0.02	0.019	0.0264
MP	Mo3(PO4)4	data_[Mo9P12O48] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.0276] _cell_length_b [9.0792] _cell_length_c [13.5665] _cell_...	1.186	0.146	0.3468	0.1236
MP	Cs2MgSi5O12	data_[Cs16Mg8Si40O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [13.8978] _cell_length_b [1...	4.913	0.0	0.6687	0.0
MP	Al2O3	data_[Al64O96] 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 [Cm] _cell_length_a [9.7443] _cell_length_b [5.6767] _cell_length_c [27.5409] _cell_angle_alpha [90.0000] _cell_an...	3.2	0.057	0.5636	0.0602
MP	K5YO4	data_[K40Y8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Y 1.2200 1.8000 1.0400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [6.9748] _cell_length_b [21.2420] _cell_length_c [12.1235] _cell...	2.571	0.011	0.512	0.0164
MP	ScHgAu2	data_[Sc2Hg2Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Hg 2.0000 1.5000 1.2450 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.0240] _cell_length_b [11.4335] _cell_length_c [16.2032] ...	0.006	1.514	0.007	0.5706
MP	Li3MnOF4	data_[Li6Mn2O2F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [9.8484] _cell_length_b [3.7598] _...	2.008	0.075	0.456	0.0745
MP	K2TaAgS4	data_[K16Ta8Ag8S32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ta 1.5000 1.4500 0.8200 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [5.9889] _cell_length_b [13.53...	2.492	0.0	0.5048	0.0
MP	RbZr6BCl15	data_[Rb4Zr24B4Cl60] 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 B 2.0400 0.8500 0.4100 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [18.9766] _cell_length_b [14...	0.003	0.0	0.004	0.0
MP	Tm2Be2GeO7	data_[Tm4Be4Ge2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Be 1.5700 1.0500 0.5900 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-42_1m] _cell_length_a [7.3747] _cell_length_b [7...	4.383	0.011	0.6403	0.0164
MP	CaC2O5	data_[Ca4C8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.0151] _cell_length_b [7.3918] _cell_length_c [6.2819] _cell...	0.608	0.604	0.2327	0.3343
MP	Te6MoW2	data_[Te6Mo1W2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.5587] _cell_length_b [3.5587] _cell_length_c [32.5864] _ce...	0.597	0.017	0.23	0.0232
MP	Li3Sb2(PO4)3	data_[Li12Sb8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sb 2.0500 1.4500 0.8300 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 [8.8136] _cell_length_b [9....	3.621	0.063	0.5934	0.0651
MP	K2Zn(PO3)4	data_[K8Zn4P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Zn 1.6500 1.3500 0.8800 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [11.2244] _cell_length_b [12.7051]...	4.85	0.006	0.6655	0.0101
MP	Li4ScFe3(SiO3)8	data_[Li4Sc1Fe3Si8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sc 1.3600 1.6000 0.8850 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2] _cell_length_a...	2.8	0.01	0.5319	0.0152
MP	Na3CeCl6	data_[Na12Ce4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ce 1.1200 1.8500 1.0800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.8667] _cell_length_b [10.8667] _cell_length_c [10.866...	0.101	0.169	0.0649	0.1378
MP	EuMgH4	data_[Eu4Mg4H16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Mg 1.3100 1.5000 0.8600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [3.8793] _cell_length_b [13.1333] _cell_length_c [5.5682] _...	0.171	0.0	0.0964	0.0
MP	Y2(OF)3	data_[Y2O3F3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-6] _cell_length_a [5.8084] _cell_length_b [5.8084] _cell_length_c [3.8934] _cell_angl...	1.126	0.326	0.3369	0.2213
MP	Ba4LiNb3O12	data_[Ba8Li2Nb6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [5.8872] _cell_length_b [5....	2.58	0.0	0.5128	0.0
MP	LiV2O3F	data_[Li4V8O12F4] 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 [Cm] _cell_length_a [10.3951] _cell_length_b [6.0171] _...	1.43	0.083	0.3839	0.0805
MP	GeSe2	data_[Ge4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [6.0706] _cell_length_b [6.0706] _cell_length_c [9.6505] _cell_angle_alpha [90.0000] _cell_...	1.519	0.012	0.3962	0.0176
MP	Sr3YI9	data_[Sr12Y4I36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Y 1.2200 1.8000 1.0400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [8.3558] _cell_length_b [7.7142] _cell_length_c [32.9853] _cell_...	2.569	0.064	0.5119	0.0659
MP	Al2Co3GeO8	data_[Al4Co6Ge2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [5.8254] _cell_length_b [5.89...	0.298	0.095	0.1441	0.0893
MP	Gd3Y5O12	data_[Gd6Y10O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Y 1.2200 1.8000 1.0400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.3128] _cell_length_b [9.3192] _cell_length_c [9.3190] _cell_a...	3.273	0.001	0.569	0.0024
MP	Li3LaAs2	data_[Li3La1As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 La 1.1000 1.9500 1.1720 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.3658] _cell_length_b [4.3658] _cell_length_c [7.0523] _c...	0.502	0.0	0.2056	0.0
MP	Cs6Ge2O7	data_[Cs12Ge4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.3170] _cell_length_b [9.9630] _cell_length_c [12.3030] ...	2.909	0.0	0.5409	0.0
MP	Sr(ZnAs)2	data_[Sr1Zn2As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Zn 1.6500 1.3500 0.8800 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.2659] _cell_length_b [4.2659] _cell_length_c [7.3193] _c...	0.254	0.0	0.1286	0.0
MP	Nd(ErS2)3	data_[Nd2Er6S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Er 1.2400 1.7500 1.0300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [11.0447] _cell_length_b [3.9671] _cell_length_c [11.2804] ...	1.025	0.0	0.3194	0.0
MP	TlW3Br7	data_[Tl8W24Br56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 W 2.3600 1.3500 0.7667 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnnn] _cell_length_a [14.1294] _cell_length_b [14.4146] _cell_length_c [14.4510] ...	2.334	0.0	0.4898	0.0
MP	Fe2(TeO3)3	data_[Fe8Te12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.9357] _cell_length_b [18.0221] _cell_length_c [5.3530] _c...	1.913	0.005	0.4454	0.0088
MP	Ba2La4Ti5O18	data_[Ba6La12Ti15O54] 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 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.6206] _cell_length_b [5.6...	2.376	0.08	0.4939	0.0783
MP	Cr2OF2	data_[Cr8O4F8] 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 [I4_1/amd] _cell_length_a [6.0558] _cell_length_b [6.0558] _cell_length_c [10.8328] _c...	0.531	0.088	0.2133	0.0842
MP	BaMo2(PO4)4	data_[Ba2Mo4P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.1390] _cell_length_b [8.04...	2.368	0.004	0.4931	0.0073
MP	VOF3	data_[V4O4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_1] _cell_length_a [5.3598] _cell_length_b [5.3598] _cell_length_c [9.2123] _cell_an...	3.233	0.025	0.5661	0.0315
MP	BaSr2I6	data_[Ba4Sr8I24] 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 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-4b2] _cell_length_a [8.1705] _cell_length_b [8.1705] _cell_length_c [24.5663] _c...	3.277	0.033	0.5693	0.0392
MP	Zn3Si3(NiO6)2	data_[Zn24Si24Ni16O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Si 1.9000 1.1000 0.5400 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [11.7339] _cell_length_b ...	0.01	0.166	0.0106	0.136
MP	Ba3Er(BO2)9	data_[Ba6Er2B18O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Er 1.2400 1.7500 1.0300 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [7.2714] _cell_length_b [7.2...	5.218	0.008	0.6838	0.0128
MP	HoTlS2	data_[Ho3Tl3S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Tl 1.6200 1.9000 1.3325 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.0109] _cell_length_b [4.0109] _cell_length_c [22.6323] _cel...	1.489	0.0	0.3921	0.0
MP	LiUI6	data_[Li2U2I12] 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 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [7.9154] _cell_length_b [13.0173] _cell_length_c [7.4164] _cell_a...	0.663	0.0	0.2458	0.0

MP

LiFeF4

data_[Li8Fe8F32] 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 [Pnma] _cell_length_a [11.0668] _cell_length_b [7.4996] _cell_length_c [7.7136] _ce...

2.929

0.081

0.5426

0.079

MP

BN

data_[B4N4] 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 [P4_2/mnm] _cell_length_a [4.4242] _cell_length_b [4.4242] _cell_length_c [2.5504] _cell_angle_alpha [90.0000] _cell_a...

4.778

0.179

0.6618

0.1438

MP

Nd2Ge2O7

data_[Nd24Ge24O84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.0017] _cell_length_b [7.0080] _cell_length_c [38.1457] _c...

3.428

0.0

0.5802

0.0

MP

K2Ta2(OF2)3

data_[K8Ta8O12F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [10.4291] _cell_length_b [5.6840...

4.012

0.0

0.6185

0.0

MP

Li7Fe5O12

data_[Li14Fe10O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [5.2447] _cell_length_b [8.7650] _cell_length_c [9.6678] _cel...

0.05

0.016

0.0377

0.0221

MP

KB3O5

data_[K12B36O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.4291] _cell_length_b [6.7337] _cell_length_c [21.4440] _ce...

5.226

0.001

0.6842

0.0024

MP

SiO2

data_[Si16O32] 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 [P-1] _cell_length_a [5.1267] _cell_length_b [12.9469] _cell_length_c [14.9706] _cell_angle_alpha [103.3701] _cell...

5.696

0.016

0.7059

0.0221

MP

As2S5N4(OF6)2

data_[As4S10N8O4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 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 [P1] _cell_length_a [10....

0.533

0.536

0.2138

0.3095

MP

BaMo2C4O17

data_[Ba3Mo6C12O51] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mo 2.1600 1.4500 0.7750 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3_1] _cell_length_a [10.9452] _cell_length_b [10.9...

2.87

0.634

0.5378

0.3447

MP

Li2NiPO4F

data_[Li16Ni8P8O32F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a ...

3.746

0.03

0.6017

0.0364

MP

Dy2Ge2O7

data_[Dy4Ge4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.3725] _cell_length_b [8.1106] _cell_length_c [7.6432] _c...

3.455

0.067

0.5821

0.0682

MP

TlInS2

data_[Tl16In16S32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 In 1.7800 1.5500 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.1468] _cell_length_b [11.1594] _cell_length_c [15.3783]...

1.291

0.006

0.3633

0.0101

MP

DyCrC6(N3O2)2

data_[Dy4Cr4C24N24O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Cr 1.6600 1.4000 0.9400 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a...

1.788

1.041

0.4307

0.4648

MP

La3As2BrO7

data_[La12As8Br4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 As 2.1800 1.1500 0.6600 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [13.1739] _cell_length_b...

3.109

0.0

0.5567

0.0

MP

NaZn(PO3)3

data_[Na16Zn16P48O144] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zn 1.6500 1.3500 0.8800 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [14.4602] _cell_length_b [1...

4.826

0.012

0.6643

0.0176

MP

Na3MnO4

data_[Na12Mn4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [7.8946] _cell_length_b [7.8946] _cell_length_c [7.8946] _c...

1.83

0.073

0.4357

0.0729

MP

Li2VOF4

data_[Li8V4O4F16] 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 [P2_12_12_1] _cell_length_a [5.4481] _cell_length_b [7....

2.637

0.068

0.5179

0.069

MP

Na4P3H3O11

data_[Na16P12H12O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [6.9562] _cell_length_b [12.08...

4.996

0.01

0.6729

0.0152

MP

Na3HfF7

data_[Na6Hf2F14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Hf 1.3000 1.5500 0.8500 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [7.7027] _cell_length_b [7.8188] _cell_length_c [6.2696] _cell_...

5.532

0.016

0.6985

0.0221

MP

BaH6C4O7

data_[Ba2H12C8O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.6319] _cell_length_b [8.3912] ...

2.648

0.157

0.5189

0.1305

MP

Cs2Li2B2P4O15

data_[Cs4Li4B4P8O30] 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 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 [7...

5.601

0.0

0.7017

0.0

MP

FeH8C4(S2N3)2

data_[Fe1H8C4S4N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.94...

0.577

0.121

0.2251

0.1073

MP

Zn2AsHO5

data_[Zn8As4H4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [8.4649] _cell_length_b [8.6486...

1.968

0.0

0.4516

0.0

MP

Rb6CuAgO4

data_[Rb24Cu4Ag4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Cu 1.9000 1.3500 0.8200 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_1] _cell_length_a [9.1450] _cell_length_b [9.1...

1.134

0.007

0.3382

0.0115

MP

La2CdTe4

data_[La8Cd4Te16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cd 1.6900 1.5500 1.0900 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [9.4851] _cell_length_b [9.4851] _cell_length_c [10.1220] ...

0.624

0.117

0.2366

0.1046

MP

BaV2ZnO7

data_[Ba4V8Zn4O28] 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 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.6672] _cell_length_b [15.4...

3.058

0.01

0.5528

0.0152

MP

CdH4S2O5

data_[Cd4H16S8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 H 2.2000 0.2500 0.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.9158] _cell_length_b [7.229...

3.322

0.088

0.5726

0.0842

MP

Ag8Sb5As3S16

data_[Ag8Sb5As3S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Sb 2.0500 1.4500 0.8300 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.9736] _cell_length_b [8.8120...

1.026

0.015

0.3196

0.021

MP

Zn(FeO2)2

data_[Zn8Fe16O32] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [8.5379] _cell_length_b [8.5379] _cell_length_c [8.5379] _c...

1.669

0.0

0.416

0.0

MP

Li2SnBPO7

data_[Li4Sn2B2P2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sn 1.9600 1.4500 0.8300 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a...

2.908

0.098

0.5409

0.0914

MP

K2Sn2O3

data_[K8Sn8O12] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I2_13] _cell_length_a [8.5142] _cell_length_b [8.5142] _cell_length_c [8.5142] _cell...

1.302

0.0

0.365

0.0

MP

AlAgTe2

data_[Al4Ag4Te8] 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 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [6.4185] _cell_length_b [6.4185] _cell_length_c [12.2412] _...

1.047

0.0

0.3233

0.0

MP

Ba4In2O7

data_[Ba16In8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [6.0292] _cell_length_b [29.0971] _cell_length_c [6.0447] _c...

1.472

0.088

0.3898

0.0842

MP

Mg(FeO2)2

data_[Mg12Fe24O48] 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 [Cm] _cell_length_a [10.3506] _cell_length_b [6.0026] _cell_length_c [14.6308] _c...

1.576

0.115

0.4039

0.1033

MP

InI2Br

data_[In2I4Br2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 I 2.6600 1.4000 1.2733 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.2391] _cell_length_b [7.3621] _cell_length_c [8.4135] _cell_a...

1.787

0.008

0.4306

0.0128

MP

Cr3AuO8

data_[Cr6Au2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Au 2.5400 1.3500 1.0700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.8586] _cell_length_b [5.5211] _cell_length_c [8.3547] _cel...

1.108

0.069

0.3338

0.0698

MP

CoSO4

data_[Co4S4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.6716] _cell_length_b [6.8104] _cell_length_c [4.8120] _cell_...

2.161

0.0

0.4724

0.0

MP

Sr(H2O3)2

data_[Sr4H16O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 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 [8.2413] _cell_length_b [6.0126] _cell_length_c [8.5318] _cell...

2.829

0.176

0.5344

0.142

MP

Li2Mn3TeO8

data_[Li4Mn6Te2O16] 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 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [6.0653] _cell_length_b [6....

0.14

0.003

0.0831

0.0058

MP

MnZn4S5

data_[Mn2Zn8S10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Zn 1.6500 1.3500 0.8800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.8746] _cell_length_b [3.8746] _cell_length_c [31.7094] _ce...

0.371

0.004

0.1678

0.0073

MP

Cs3W2N5

data_[Cs24W16N40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 W 2.3600 1.3500 0.7667 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [I4_1] _cell_length_a [13.8627] _cell_length_b [13.8627] _cell_length_c [10.0878] _...

1.968

0.023

0.4516

0.0295

MP

KCaH3

data_[K4Ca4H12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ca 1.0000 1.8000 1.1400 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.3226] _cell_length_b [8.9330] _cell_length_c [6.3118] _cell_...

3.326

0.037

0.5729

0.0429

MP

Cs2KGaF6

data_[Cs8K4Ga4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 Ga 1.8100 1.3000 0.7600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.1572] _cell_length_b [9.157...

6.048

0.0

0.7211

0.0

MP

Rb2HgTe

data_[Rb4Hg2Te2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Hg 2.0000 1.5000 1.2450 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [13.1969] _cell_length_b [14.1942] _cell_length_c [18.3355] ...

0.284

0.702

0.1393

0.3674

MP

SbSeBr

data_[Sb4Se4Br4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.7004] _cell_length_b [4.0824] _cell_length_c [10.8667] _c...

1.438

0.0

0.385

0.0

MP

Ag2Ge(S2O7)3

data_[Ag12Ge6S36O126] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 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 [P-3] _cell_length_a [16.5737] _cell_length_b [16....

2.828

0.0

0.5343

0.0

MP

LiTl2Pd

data_[Li2Tl4Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tl 1.6200 1.9000 1.3325 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.0178] _cell_length_b [11.8086] _cell_length_c [16.6697] ...

0.008

1.218

0.0088

0.5076

MP

Mg17(SiO3)20

data_[Mg34Si40O120] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.3629] _cell_length_b [45.7436] _cell_length_c [9.5108] ...

0.131

0.065

0.079

0.0667

MP

SrPr2O4

data_[Sr4Pr8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Pr 1.1300 1.8500 1.0600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [10.4237] _cell_length_b [3.6174] _cell_length_c [12.4695] _c...

3.344

0.046

0.5742

0.0509

MP

SrH2

data_[Sr4H8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.3650] _cell_length_b [3.8612] _cell_length_c [7.3017] _cell_angle_alpha [90.0000] _cell_ang...

3.154

0.0

0.5601

0.0

MP

K2Mo(OF)4

data_[K8Mo4O16F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mo 2.1600 1.4500 0.7750 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 [6.3602] _cell_length_b [6.415...

0.018

0.249

0.0168

0.1829

MP

Rb2SnBr6

data_[Rb8Sn4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sn 1.9600 1.4500 0.8300 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.0041] _cell_length_b [11.0041] _cell_length_c [11.0041...

1.317

0.0

0.3673

0.0

MP

Na3InCl6

data_[Na6In2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 In 1.7800 1.5500 0.9400 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [7.0057] _cell_length_b [7.0057] _cell_length_c [12.5973] ...

3.786

0.0

0.6043

0.0

MP

Li4NbFe5O12

data_[Li8Nb2Fe10O24] 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 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.2699] _cell_length_b [9.1...

0.533

0.105

0.2138

0.0964

MP

Sr4(NiO3)3

data_[Sr12Ni9O27] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [9.5432] _cell_length_b [9.5432] _cell_length_c [7.8338] _ce...

1.332

0.0

0.3695

0.0

MP

TbNbO4

data_[Tb4Nb4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.6119] _cell_length_b [5.3865] _cell_length_c [7.6732] _c...

2.973

0.049

0.5461

0.0535

MP

In2S3

data_[In8S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [6.9681] _cell_length_b [12.1674] _cell_length_c [6.9140] _cell_angle_alpha [90.0000] _cell_ang...

1.604

0.047

0.4076

0.0518

MP

Ba2(InP)5

data_[Ba8In20P20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [17.4943] _cell_length_b [4.2314] _cell_length_c [17.7183] _...

0.308

0.008

0.1474

0.0128

MP

Na3TiCl6

data_[Na6Ti2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ti 1.5400 1.4000 0.8517 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.7614] _cell_length_b [7.1228] _cell_length_c [11.9963]...

0.067

0.029

0.0473

0.0354

MP

Er3Fe5O12

data_[Er24Fe40O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.4784] _cell_length_b [12.4784] _cell_length_c [12.4784...

1.677

0.035

0.417

0.0411

MP

Li3Mn2(SiO4)2

data_[Li6Mn4Si4O16] 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 [Pc] _cell_length_a [5.1256] _cell_length_b [6.2958...

0.381

0.087

0.1709

0.0835

MP

Cu6SnWS8

data_[Cu6Sn1W1S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Sn 1.9600 1.4500 0.8300 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [7.5960] _cell_length_b [7.5960...

0.021

0.02

0.019

0.0264

MP

Mo3(PO4)4

data_[Mo9P12O48] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8.0276] _cell_length_b [9.0792] _cell_length_c [13.5665] _cell_...

1.186

0.146

0.3468

0.1236

MP

Cs2MgSi5O12

data_[Cs16Mg8Si40O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [13.8978] _cell_length_b [1...

4.913

0.0

0.6687

0.0

MP

Al2O3

data_[Al64O96] 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 [Cm] _cell_length_a [9.7443] _cell_length_b [5.6767] _cell_length_c [27.5409] _cell_angle_alpha [90.0000] _cell_an...

3.2

0.057

0.5636

0.0602

MP

K5YO4

data_[K40Y8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Y 1.2200 1.8000 1.0400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [6.9748] _cell_length_b [21.2420] _cell_length_c [12.1235] _cell...

2.571

0.011

0.512

0.0164

MP

ScHgAu2

data_[Sc2Hg2Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Hg 2.0000 1.5000 1.2450 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.0240] _cell_length_b [11.4335] _cell_length_c [16.2032] ...

0.006

1.514

0.007

0.5706

MP

Li3MnOF4

data_[Li6Mn2O2F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [9.8484] _cell_length_b [3.7598] _...

2.008

0.075

0.456

0.0745

MP

K2TaAgS4

data_[K16Ta8Ag8S32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ta 1.5000 1.4500 0.8200 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [5.9889] _cell_length_b [13.53...

2.492

0.0

0.5048

0.0

MP

RbZr6BCl15

data_[Rb4Zr24B4Cl60] 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 B 2.0400 0.8500 0.4100 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [18.9766] _cell_length_b [14...

0.003

0.0

0.004

0.0

MP

Tm2Be2GeO7

data_[Tm4Be4Ge2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Be 1.5700 1.0500 0.5900 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-42_1m] _cell_length_a [7.3747] _cell_length_b [7...

4.383

0.011

0.6403

0.0164

MP

CaC2O5

data_[Ca4C8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.0151] _cell_length_b [7.3918] _cell_length_c [6.2819] _cell...

0.608

0.604

0.2327

0.3343

MP

Te6MoW2

data_[Te6Mo1W2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.5587] _cell_length_b [3.5587] _cell_length_c [32.5864] _ce...

0.597

0.017

0.23

0.0232

MP

Li3Sb2(PO4)3

data_[Li12Sb8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sb 2.0500 1.4500 0.8300 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 [8.8136] _cell_length_b [9....

3.621

0.063

0.5934

0.0651

MP

K2Zn(PO3)4

data_[K8Zn4P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Zn 1.6500 1.3500 0.8800 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [11.2244] _cell_length_b [12.7051]...

4.85

0.006

0.6655

0.0101

MP

Li4ScFe3(SiO3)8

data_[Li4Sc1Fe3Si8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sc 1.3600 1.6000 0.8850 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2] _cell_length_a...

2.8

0.01

0.5319

0.0152

MP

Na3CeCl6

data_[Na12Ce4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ce 1.1200 1.8500 1.0800 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.8667] _cell_length_b [10.8667] _cell_length_c [10.866...

0.101

0.169

0.0649

0.1378

MP

EuMgH4

data_[Eu4Mg4H16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Mg 1.3100 1.5000 0.8600 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [3.8793] _cell_length_b [13.1333] _cell_length_c [5.5682] _...

0.171

0.0

0.0964

0.0

MP

Y2(OF)3

data_[Y2O3F3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-6] _cell_length_a [5.8084] _cell_length_b [5.8084] _cell_length_c [3.8934] _cell_angl...

1.126

0.326

0.3369

0.2213

MP

Ba4LiNb3O12

data_[Ba8Li2Nb6O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [5.8872] _cell_length_b [5....

2.58

0.0

0.5128

0.0

MP

LiV2O3F

data_[Li4V8O12F4] 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 [Cm] _cell_length_a [10.3951] _cell_length_b [6.0171] _...

1.43

0.083

0.3839

0.0805

MP

GeSe2

data_[Ge4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [6.0706] _cell_length_b [6.0706] _cell_length_c [9.6505] _cell_angle_alpha [90.0000] _cell_...

1.519

0.012

0.3962

0.0176

MP

Sr3YI9

data_[Sr12Y4I36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Y 1.2200 1.8000 1.0400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [8.3558] _cell_length_b [7.7142] _cell_length_c [32.9853] _cell_...

2.569

0.064

0.5119

0.0659

MP

Al2Co3GeO8

data_[Al4Co6Ge2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [5.8254] _cell_length_b [5.89...

0.298

0.095

0.1441

0.0893

MP

Gd3Y5O12

data_[Gd6Y10O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Y 1.2200 1.8000 1.0400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.3128] _cell_length_b [9.3192] _cell_length_c [9.3190] _cell_a...

3.273

0.001

0.569

0.0024

MP

Li3LaAs2

data_[Li3La1As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 La 1.1000 1.9500 1.1720 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.3658] _cell_length_b [4.3658] _cell_length_c [7.0523] _c...

0.502

0.0

0.2056

0.0

MP

Cs6Ge2O7

data_[Cs12Ge4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.3170] _cell_length_b [9.9630] _cell_length_c [12.3030] ...

2.909

0.0

0.5409

0.0

MP

Sr(ZnAs)2

data_[Sr1Zn2As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Zn 1.6500 1.3500 0.8800 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.2659] _cell_length_b [4.2659] _cell_length_c [7.3193] _c...

0.254

0.0

0.1286

0.0

MP

Nd(ErS2)3

data_[Nd2Er6S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Er 1.2400 1.7500 1.0300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [11.0447] _cell_length_b [3.9671] _cell_length_c [11.2804] ...

1.025

0.0

0.3194

0.0

MP

TlW3Br7

data_[Tl8W24Br56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 W 2.3600 1.3500 0.7667 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnnn] _cell_length_a [14.1294] _cell_length_b [14.4146] _cell_length_c [14.4510] ...

2.334

0.0

0.4898

0.0

MP

Fe2(TeO3)3

data_[Fe8Te12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.9357] _cell_length_b [18.0221] _cell_length_c [5.3530] _c...

1.913

0.005

0.4454

0.0088

MP

Ba2La4Ti5O18

data_[Ba6La12Ti15O54] 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 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.6206] _cell_length_b [5.6...

2.376

0.08

0.4939

0.0783

MP

Cr2OF2

data_[Cr8O4F8] 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 [I4_1/amd] _cell_length_a [6.0558] _cell_length_b [6.0558] _cell_length_c [10.8328] _c...

0.531

0.088

0.2133

0.0842

MP

BaMo2(PO4)4

data_[Ba2Mo4P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.1390] _cell_length_b [8.04...

2.368

0.004

0.4931

0.0073

MP

VOF3

data_[V4O4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_1] _cell_length_a [5.3598] _cell_length_b [5.3598] _cell_length_c [9.2123] _cell_an...

3.233

0.025

0.5661

0.0315

MP

BaSr2I6

data_[Ba4Sr8I24] 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 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-4b2] _cell_length_a [8.1705] _cell_length_b [8.1705] _cell_length_c [24.5663] _c...

3.277

0.033

0.5693

0.0392

MP

Zn3Si3(NiO6)2

data_[Zn24Si24Ni16O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Si 1.9000 1.1000 0.5400 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [11.7339] _cell_length_b ...

0.01

0.166

0.0106

0.136

MP

Ba3Er(BO2)9

data_[Ba6Er2B18O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Er 1.2400 1.7500 1.0300 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [7.2714] _cell_length_b [7.2...

5.218

0.008

0.6838

0.0128

MP

HoTlS2

data_[Ho3Tl3S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Tl 1.6200 1.9000 1.3325 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.0109] _cell_length_b [4.0109] _cell_length_c [22.6323] _cel...

1.489

0.0

0.3921

0.0

MP

LiUI6

data_[Li2U2I12] 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 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [7.9154] _cell_length_b [13.0173] _cell_length_c [7.4164] _cell_a...

0.663

0.0

0.2458

0.0