Material ID
stringlengths
4
10
Reduced_Formula
stringlengths
1
18
CIF
stringlengths
761
5.02k
mp-867362
K2SrIn7
data_[K8Sr4In28] 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 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.1302] _cell_length_b [12.2119] _cell_length_c [20.1129] _c...
mp-20896
TmInNi4
data_[Tm4In4Ni16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 In 1.7800 1.5500 0.9400 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.9995] _cell_length_b [6.9995] _cell_length_c [6.9995] _...
mp-867883
La3Pb
data_[La3Pb1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [5.0902] _cell_length_b [5.0902] _cell_length_c [5.0902] _cell_angle_alpha [90.0000] _cell_...
mp-1223787
InAg3
data_[In1Ag3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.0855] _cell_length_b [3.0855] _cell_length_c [9.4733] _cell_angle_alpha [90.0000] _cell_...
mp-13829
TlCu3S2
data_[Tl4Cu12S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [14.5291] _cell_length_b [3.8440] _cell_length_c [8.4279] _ce...
mp-5176
Y(SiNi)2
data_[Y2Si4Ni4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Si 1.9000 1.1000 0.5400 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.9765] _cell_length_b [3.9765] _cell_length_c [9.5675] _ce...
mp-1209346
PrSiIr
data_[Pr4Si4Ir4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Si 1.9000 1.1000 0.5400 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [6.3933] _cell_length_b [6.3933] _cell_length_c [6.3933] _c...
mp-1272954
Ca2MnWO6
data_[Ca6Mn3W3O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mn 1.5500 1.4000 0.8775 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [5.6206] _cell_length_b [5.6206] ...
mp-1189617
Gd3Cu3Sb4
data_[Gd12Cu12Sb16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Cu 1.9000 1.3500 0.8200 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [I-43d] _cell_length_a [9.6687] _cell_length_b [9.6687] _cell_length_c [9.6687]...
mp-4226
LiCrS2
data_[Li1Cr1S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.5082] _cell_length_b [3.5082] _cell_length_c [5.9793] _cel...
mp-1025318
Co(NiSe2)2
data_[Co2Ni4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Ni 1.9100 1.3500 0.7400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.8323] _cell_length_b [3.6348] _cell_length_c [6.1650] _c...
mp-643063
NbSe2
data_[Nb4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.4703] _cell_length_b [3.4703] _cell_length_c [26.5722] _cell_angle_alpha [90.0000] _cell...
mp-13053
SrSi
data_[Sr4Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.9066] _cell_length_b [4.0587] _cell_length_c [6.1387] _cell_angle_alpha [90.0000] _cell_a...
mp-1210487
Nd(BrO2)3
data_[Nd2Br6O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.9174] _cell_length_b [6.4618] _cell_length_c [11.5334] _ce...
mp-1924
TbSi
data_[Tb4Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.9628] _cell_length_b [3.8500] _cell_length_c [5.7278] _cell_angle_alpha [90.0000] _cell_a...
mp-1000
BaTe
data_[Ba4Te4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.0898] _cell_length_b [7.0898] _cell_length_c [7.0898] _cell_angle_alpha [90.0000] _cell_...
mp-29231
Mo3S3Br
data_[Mo18S18Br6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 S 2.5800 1.0000 0.8800 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [9.6177] _cell_length_b [9.6177] _cell_length_c [10.5020] _ce...
mp-1114583
Rb2LiYCl6
data_[Rb8Li4Y4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Li 0.9800 1.4500 0.9000 Y 1.2200 1.8000 1.0400 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.4804] _cell_length_b [10...
mp-1102677
UGePd
data_[U4Ge4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 Ge 2.0100 1.2500 0.7700 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.6931] _cell_length_b [4.5156] _cell_length_c [7.7171] _cell...
mp-1780
ScRh
data_[Sc1Rh1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.2361] _cell_length_b [3.2361] _cell_length_c [3.2361] _cell_angle_alpha [90.0000] _cell_...
mp-1229141
Ag2HgGeS4
data_[Ag4Hg2Ge2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Hg 2.0000 1.5000 1.2450 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [6.7120] _cell_length_b [7.0212]...
mp-13401
Yb(CuGe)2
data_[Yb2Cu4Ge4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Cu 1.9000 1.3500 0.8200 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.1084] _cell_length_b [4.1084] _cell_length_c [10.1789] ...
mp-1105822
PrCrO3
data_[Pr4Cr4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.6330] _cell_length_b [7.8394] _cell_length_c [5.5108] _cel...
mp-24659
UH3
data_[U2H6] 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 ] _symmetry_space_group_name_H-M [Pm-3n] _cell_length_a [4.1259] _cell_length_b [4.1259] _cell_length_c [4.1259] _cell_angle_alpha [90.0000] _cell_angl...
mp-1219699
PrYFe4
data_[Pr4Y4Fe16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Y 1.2200 1.8000 1.0400 Fe 1.8300 1.4000 0.8525 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.4078] _cell_length_b [7.4078] _cell_length_c [7.4078] _ce...
mp-1209368
Rb3HoV2O8
data_[Rb3Ho1V2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ho 1.2300 1.7500 1.0410 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 [6.0738] _cell_length_b [6.0738...
mp-1226948
Ce2Ge3
data_[Ce4Ge6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [4.0442] _cell_length_b [4.1896] _cell_length_c [14.3179] _cell_angle_alpha [90.0000] _cell_...
mp-623089
CaCdPb
data_[Ca3Cd3Pb3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Cd 1.6900 1.5500 1.0900 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.8723] _cell_length_b [7.8723] _cell_length_c [4.7912] _c...
mp-22457
K3Na(SO4)2
data_[K3Na1S2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.7654] _cell_length_b [5.7654] ...
mp-1007
DySb
data_[Dy4Sb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.2042] _cell_length_b [6.2042] _cell_length_c [6.2042] _cell_angle_alpha [90.0000] _cell_...
mp-1620
Si2W
data_[Si4W2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.2336] _cell_length_b [3.2336] _cell_length_c [7.8675] _cell_angle_alpha [90.0000] _cell_a...
mp-1111921
K2LiVF6
data_[K8Li4V4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.1650] _cell_length_b [8.1650]...
mp-1078499
Er3(CoGe2)2
data_[Er6Co4Ge8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.5604] _cell_length_b [4.1739] _cell_length_c [7.9901] _c...
mp-1104067
TiBe12
data_[Ti2Be24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Be 1.5700 1.0500 0.5900 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [7.3352] _cell_length_b [7.3352] _cell_length_c [4.1421] _cell_angle_alpha [90.0000] _cel...
mp-1223039
KTaWO6
data_[K4Ta4W4O24] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ima2] _cell_length_a [7.5036] _cell_length_b [10.5507]...
mp-1216530
TlPb
data_[Tl3Pb3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.5606] _cell_length_b [3.5606] _cell_length_c [17.3694] _cell_angle_alpha [90.0000] _cell_...
mp-1209049
Sm3Ni3Bi4
data_[Sm12Ni12Bi16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Ni 1.9100 1.3500 0.7400 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [I-43d] _cell_length_a [9.8077] _cell_length_b [9.8077] _cell_length_c [9.8077]...
mp-974708
NdTmTl2
data_[Nd4Tm4Tl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Tm 1.2500 1.7500 1.0950 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.6738] _cell_length_b [7.6738] _cell_length_c [7.6738] _c...
mp-1226905
Ce2(TlSn)3
data_[Ce2Tl3Sn3] 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 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Pmmm] _cell_length_a [4.7123] _cell_length_b [4.8316] _cell_length_c [9.7023] _ce...
mp-973114
HoLuRu2
data_[Ho4Lu4Ru8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Lu 1.2700 1.7500 1.0010 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.7286] _cell_length_b [6.7286] _cell_length_c [6.7286] _c...
mp-1205672
KTl2CrF6
data_[K4Tl8Cr4F24] 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 Cr 1.6600 1.4000 0.9400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.9656] _cell_length_b [8.965...
mp-1184622
Ho2AgAu
data_[Ho8Ag4Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Ag 1.9300 1.6000 1.0867 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.1917] _cell_length_b [7.1917] _cell_length_c [7.1917] _c...
mp-1101069
CrPSe3
data_[Cr4P4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.3548] _cell_length_b [10.9884] _cell_length_c [7.0118] _ce...
mp-7012
KRb2YF6
data_[K2Rb4Y2F12] 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 Y 1.2200 1.8000 1.0400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.5814] _cell_length_b [6.7506...
mp-567318
TlSbSe2
data_[Tl4Sb4Se8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [9.2541] _cell_length_b [4.1524] _cell_length_c [13.0253] ...
mp-1186617
PmNdIr2
data_[Pm4Nd4Ir8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pm 1.1300 1.8500 1.1100 Nd 1.1400 1.8500 1.2765 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.0737] _cell_length_b [7.0737] _cell_length_c [7.0737] _c...
mp-1218018
Ta2GaNi3
data_[Ta4Ga2Ni6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ga 1.8100 1.3000 0.7600 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [4.9088] _cell_length_b [4.9088] _cell_length_c [7.7733]...
mp-1211694
KAs(HO2)2
data_[K4As4H8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 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 [I-42d] _cell_length_a [7.6821] _cell_length_b [7.6821]...
mp-613162
CsSnSe3
data_[Cs2Sn2Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Sn 1.9600 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.2277] _cell_length_b [7.6447] _cell_length_c [8.2069] _cel...
mp-1205553
Sr2LuTaO6
data_[Sr8Lu4Ta4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Lu 1.2700 1.7500 1.0010 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.3173] _cell_length_b [8.3...
mp-23925
TcH4NO4
data_[Tc4H16N4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tc 1.9000 1.3500 0.7417 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 [I4_1/a] _cell_length_a [6.2580] _cell_length_b [6.258...
mp-580329
Pu3Sn
data_[Pu3Sn1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pu 1.2800 1.7500 0.9675 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.7372] _cell_length_b [4.7372] _cell_length_c [4.7372] _cell_angle_alpha [90.0000] _cell_...
mp-1106198
Eu5As4
data_[Eu20As16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [15.3842] _cell_length_b [8.0146] _cell_length_c [8.0532] _cell_angle_alpha [90.0000] _cel...
mp-30858
ZrPt3
data_[Zr1Pt3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.0563] _cell_length_b [4.0563] _cell_length_c [4.0563] _cell_angle_alpha [90.0000] _cell_...
mp-973938
LuCoGe2
data_[Lu4Co4Ge8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Co 1.8800 1.3500 0.7683 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.0656] _cell_length_b [16.6928] _cell_length_c [4.1195] _c...
mp-1210750
Li2ZnPb
data_[Li8Zn4Pb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Zn 1.6500 1.3500 0.8800 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.6948] _cell_length_b [6.6948] _cell_length_c [6.6948] _c...
mp-567271
Np(CuSi)2
data_[Np2Cu4Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Np 1.3600 1.7500 1.0000 Cu 1.9000 1.3500 0.8200 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.9504] _cell_length_b [3.9504] _cell_length_c [10.0318] ...
mp-777571
Mn6O7F5
data_[Mn12O14F10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.8775 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [9.0684] _cell_length_b [6.5110] _cell_length_c [7.3300] _cell_...
mp-1220803
NaLaScSbO6
data_[Na2La2Sc2Sb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 La 1.1000 1.9500 1.1720 Sc 1.3600 1.6000 0.8850 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a...
mp-1363
Na2Au
data_[Na8Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [7.4396] _cell_length_b [7.4396] _cell_length_c [5.6125] _cell_angle_alpha [90.0000] _cell...
mp-18799
YbVO4
data_[Yb4V4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [7.2851] _cell_length_b [7.2851] _cell_length_c [6.4138] _c...
mp-1519151
Sr2DyMnO6
data_[Sr8Dy4Mn4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Dy 1.2200 1.7500 1.1310 Mn 1.5500 1.4000 0.8775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.2129] _cell_length_b [8.2...
mp-1103160
ScCoP
data_[Sc4Co4P4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.2763] _cell_length_b [3.7582] _cell_length_c [7.0246] _cell...
mp-1217416
TbZr3
data_[Tb1Zr3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Zr 1.3300 1.5500 0.8600 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.3109] _cell_length_b [3.3109] _cell_length_c [10.5787] _cell_angle_alpha [90.0000] _cell...
mp-16318
RbTiS2
data_[Rb3Ti3S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ti 1.5400 1.4000 0.8517 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [3.6850] _cell_length_b [3.6850] _cell_length_c [22.9382] _cell...
mp-551101
HoBi2IO4
data_[Ho1Bi2I1O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Bi 2.0200 1.6000 1.0350 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.9374] _cell_length_b [3.937...
mp-1188610
Fe5Si2B
data_[Fe20Si8B4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [8.6965] _cell_length_b [8.6965] _cell_length_c [4.4168] _c...
mp-12607
PrPt
data_[Pr4Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.9599] _cell_length_b [10.9919] _cell_length_c [4.5920] _cell_angle_alpha [90.0000] _cell_...
mp-1067937
Ho2BiO2
data_[Ho4Bi2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.8683] _cell_length_b [3.8683] _cell_length_c [13.5315] _c...
mp-632
TmCo2
data_[Tm8Co16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [7.1050] _cell_length_b [7.1050] _cell_length_c [7.1050] _cell_angle_alpha [90.0000] _cell...
mp-1221842
Mn3B4Mo3
data_[Mn6B8Mo6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.8775 B 2.0400 0.8500 0.4100 Mo 2.1600 1.4500 0.7750 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [3.0920] _cell_length_b [8.1367] _cell_length_c [7.9895] _cell...
mp-862717
LiAlAu2
data_[Li4Al4Au8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.3098] _cell_length_b [6.3098] _cell_length_c [6.3098] _c...
mp-1217031
U(Fe5Re)2
data_[U2Fe20Re4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 Fe 1.8300 1.4000 0.8525 Re 1.9000 1.3500 0.7125 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.6030] _cell_length_b [8.4111] _cell_length_c [8.5800] _cel...
mp-1187326
TbCdPt2
data_[Tb4Cd4Pt8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Cd 1.6900 1.5500 1.0900 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.8194] _cell_length_b [6.8194] _cell_length_c [6.8194] _c...
mp-1214760
AuI2
data_[Au2I4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Au 2.5400 1.3500 1.0700 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P4_2/mmc] _cell_length_a [4.1881] _cell_length_b [4.1881] _cell_length_c [15.6414] _cell_angle_alpha [90.0000] _cel...
mp-1103728
KV5S8
data_[K2V10S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 V 1.6300 1.3500 0.7775 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [17.4521] _cell_length_b [3.3125] _cell_length_c [8.7854] _cell_...
mp-1077935
V2CoS4
data_[V4Co2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Co 1.8800 1.3500 0.7683 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.9360] _cell_length_b [3.2215] _cell_length_c [5.7749] _cell_...
mp-195
HoPt3
data_[Ho1Pt3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.1122] _cell_length_b [4.1122] _cell_length_c [4.1122] _cell_angle_alpha [90.0000] _cell_...
mp-572596
TlIn3S5
data_[Tl4In12S20] 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/m] _cell_length_a [20.6274] _cell_length_b [3.8931] _cell_length_c [13.0379] _...
mp-865515
YMgZn2
data_[Y4Mg4Zn8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.8368] _cell_length_b [6.8368] _cell_length_c [6.8368] _cel...
mp-1205772
Cs2MnCl6
data_[Cs8Mn4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Mn 1.5500 1.4000 0.8775 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.4514] _cell_length_b [10.4514] _cell_length_c [10.4514...
mp-1184422
Gd2CuRu
data_[Gd8Cu4Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Cu 1.9000 1.3500 0.8200 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.9060] _cell_length_b [6.9060] _cell_length_c [6.9060] _c...
mp-1223105
La4Bi4S8O3F
data_[La8Bi8S16O6F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I-42m] _cell_length_a ...
mp-998914
K2O
data_[K8O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.3918] _cell_length_b [4.2777] _cell_length_c [10.1704] _cell_angle_alpha [90.0000] _cell_angl...
mp-1217362
ThV2PbO8
data_[Th2V4Pb2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Th 1.3000 1.8000 1.0800 V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [5.2647] _cell_length_b [5.2647]...
mp-1185200
Li3Au
data_[Li6Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.0521] _cell_length_b [4.0521] _cell_length_c [7.6021] _cell_angle_alpha [90.0000] _cell...
mp-20703
Dy3Co6Sn5
data_[Dy6Co12Sn10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Co 1.8800 1.3500 0.7683 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.3170] _cell_length_b [9.6162] _cell_length_c [12.3410] ...
mp-1029532
Ca2CoN2
data_[Ca4Co2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Co 1.8800 1.3500 0.7683 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.5616] _cell_length_b [3.5616] _cell_length_c [12.2144] _c...
mp-1225641
ErAl7Fe5
data_[Er2Al14Fe10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Al 1.6100 1.2500 0.6750 Fe 1.8300 1.4000 0.8525 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [5.0169] _cell_length_b [8.6532] _cell_length_c [8.6357] _...
mp-867419
KEuAsS4
data_[K2Eu2As2S8] 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/m] _cell_length_a [6.8327] _cell_length_b [6.824...
mp-1865
UN
data_[U4N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [4.8727] _cell_length_b [4.8727] _cell_length_c [4.8727] _cell_angle_alpha [90.0000] _cell_angl...
mp-862338
Sc2CuRu
data_[Sc8Cu4Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cu 1.9000 1.3500 0.8200 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.4758] _cell_length_b [6.4758] _cell_length_c [6.4758] _c...
mp-1217407
Tc3Os
data_[Tc3Os1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tc 1.9000 1.3500 0.7417 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [2.7644] _cell_length_b [2.7644] _cell_length_c [8.7681] _cell_angle_alpha [90.0000] _cell_...
mp-19799
BaPbF6
data_[Ba3Pb3F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Pb 2.3300 1.8000 1.1225 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.7389] _cell_length_b [7.7389] _cell_length_c [7.7259] _cel...
mp-1207987
Tm5BiPd2
data_[Tm20Bi4Pd8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Bi 2.0200 1.6000 1.0350 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [7.6754] _cell_length_b [7.6754] _cell_length_c [13.8370]...
mp-1239124
ZrCrCuS4
data_[Zr1Cr1Cu1S4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Cr 1.6600 1.4000 0.9400 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [5.9536] _cell_length_b [3.577...
mp-1187967
Yb5Mg
data_[Yb15Mg3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Mg 1.3100 1.5000 0.8600 ] _symmetry_space_group_name_H-M [R32] _cell_length_a [6.4784] _cell_length_b [6.4784] _cell_length_c [18.4140] _cell_angle_alpha [90.0000] _cell_...
mp-542569
AlRu
data_[Al1Ru1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [3.0055] _cell_length_b [3.0055] _cell_length_c [3.0055] _cell_angle_alpha [90.0000] _cell_...
mp-7191
Sr3GaN3
data_[Sr6Ga2N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ga 1.8100 1.3000 0.7600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [7.6272] _cell_length_b [7.6272] _cell_length_c [5.4464] _ce...
mp-1208762
Sr2MnTeO6
data_[Sr4Mn2Te2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Mn 1.5500 1.4000 0.8775 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.7691] _cell_length_b [5....