Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1095184 | NpSe3 | data_[Np2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7047]
_cell_length_b [4.0662]
_cell_length_c [9.5132]
_cell_angle_alpha [90.0000]
_cell... |
mvc-8096 | Ge2BiO6 | data_[Ge8Bi4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5531]
_cell_length_b [9.6922]
_cell_length_c [5.7434]
_ce... |
mp-13416 | Sc2InNi2 | data_[Sc4In2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.1430]
_cell_length_b [7.1430]
_cell_length_c [3.3777]
_... |
mp-961653 | FeSiW | data_[Fe4Si4W4]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.5470]
_cell_length_b [5.5470]
_cell_length_c [5.5470]
_cel... |
mp-669418 | Sr2NiN2 | data_[Sr8Ni4N8]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7106]
_cell_length_b [3.8539]
_cell_length_c [12.5247]
_cel... |
mp-754837 | Hf2N2O | data_[Hf8N8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4366]
_cell_length_b [5.4759]
_cell_length_c [10.1938]
_cell_an... |
mp-638374 | BaNdFe2O5 | data_[Ba1Nd1Fe2O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nd 1.1400 1.8500 1.2765
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0300]
_cell_length_b [4.0... |
mp-27258 | P3Au2 | data_[P12Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9389]
_cell_length_b [14.5906]
_cell_length_c [4.7637]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1226842 | CdGa4As4S | data_[Cd3Ga12As12S3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Ga 1.8100 1.3000 0.7600
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0859]
_cell_length_b [4.08... |
mp-1239157 | NbCr3(CuS4)2 | data_[Nb2Cr6Cu4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
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 [C2]
_cell_length_a [11.9322]
_cell_length_b [7.109... |
mp-979985 | YbAu3 | data_[Yb2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.0709]
_cell_length_b [6.0709]
_cell_length_c [5.0072]
_cell_angle_alpha [90.0000]
_ce... |
mp-1228711 | Ba10IBr4N5 | data_[Ba10I1Br4N5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
I 2.6600 1.4000 1.2733
Br 2.9600 1.1500 0.8825
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2844]
_cell_length_b [8.4399]... |
mp-567474 | Li2CrCl4 | data_[Li4Cr2Cl8]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4871]
_cell_length_b [10.1544]
_cell_length_c [3.7978]
_c... |
mp-971831 | Tm3Th | data_[Tm6Th2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Th 1.3000 1.8000 1.0800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0064]
_cell_length_b [5.0064]
_cell_length_c [9.8818]
_cell_angle_alpha [90.0000]
_cell... |
mp-762165 | Li3(NiO2)5 | data_[Li3Ni5O10]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9910]
_cell_length_b [5.8501]
_cell_length_c [6.4935]
_cell... |
mp-18936 | NdFe3(BO3)4 | data_[Nd3Fe9B12O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [9.6888]
_cell_length_b [9.6888... |
mp-20219 | CsUCuTe3 | data_[Cs4U4Cu4Te12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
U 1.3800 1.7500 0.9913
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3727]
_cell_length_b [17.3... |
mp-867109 | ScZn2Ag | data_[Sc4Zn8Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Zn 1.6500 1.3500 0.8800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4835]
_cell_length_b [6.4835]
_cell_length_c [6.4835]
_c... |
mp-1220453 | Nb6SnS8 | data_[Nb6Sn1S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.6485]
_cell_length_b [9.6485]
_cell_length_c [3.4109]
_cell_... |
mp-1215481 | YbSmB12 | data_[Yb4Sm4B48]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Sm 1.1700 1.8500 1.2290
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.2374]
_cell_length_b [8.2374]
_cell_length_c [8.2374]
_ce... |
mp-21892 | Al2PbO4 | data_[Al8Pb4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [8.5697]
_cell_length_b [9.3247]
_cell_length_c [5.1582]
_cel... |
mp-1113342 | Rb2CuBiCl6 | data_[Rb8Cu4Bi4Cl24]
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
Bi 2.0200 1.6000 1.0350
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.5074]
_cell_length_b [... |
mp-553432 | TiO2 | data_[Ti3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [5.6163]
_cell_length_b [5.6163]
_cell_length_c [6.1268]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1104054 | Y(Ni2P)2 | data_[Y2Ni8P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.0843]
_cell_length_b [7.0843]
_cell_length_c [3.5934]
_ce... |
mp-1226432 | Cs(V3S4)2 | data_[Cs1V6S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
V 1.6300 1.3500 0.7775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.3554]
_cell_length_b [9.3554]
_cell_length_c [3.2595]
_cell_an... |
mp-20940 | TiCdO3 | data_[Ti4Cd4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Cd 1.6900 1.5500 1.0900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [7.6922]
_cell_length_b [5.4007]
_cell_length_c [5.5230]
_c... |
mp-23506 | VBiO4 | data_[V4Bi4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.3379]
_cell_length_b [11.7477]
_cell_length_c [5.1774]
_cell... |
mp-1225510 | DyPaO4 | data_[Dy1Pa1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Pa 1.5000 1.8000 1.0400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8119]
_cell_length_b [3.8119]
_cell_length_c [5.3968]
_ce... |
mp-20821 | NpGa3 | data_[Np1Ga3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2658]
_cell_length_b [4.2658]
_cell_length_c [4.2658]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1112998 | Cs2LiTmCl6 | data_[Cs8Li4Tm4Cl24]
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
Tm 1.2500 1.7500 1.0950
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.5747]
_cell_length_b [... |
mp-1104798 | Th(Al2Cu)4 | data_[Th2Al16Cu8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.9593]
_cell_length_b [8.9593]
_cell_length_c [5.1185]
... |
mp-1070573 | LaAl3Cu | data_[La2Al6Cu2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.3099]
_cell_length_b [4.3099]
_cell_length_c [10.7161]
_c... |
mp-1645322 | CaLaCrFeO6 | data_[Ca2La2Cr2Fe2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
Cr 1.6600 1.4000 0.9400
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a... |
mp-1189723 | NaSi | data_[Na16Si16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.7843]
_cell_length_b [6.5816]
_cell_length_c [10.8653]
_cell_angle_alpha [90.0000]
_ce... |
mp-1112659 | Cs2NaBiI6 | data_[Cs8Na4Bi4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Bi 2.0200 1.6000 1.0350
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.5148]
_cell_length_b [12... |
mp-1225052 | FeCoSn4 | data_[Fe2Co2Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [6.3728]
_cell_length_b [6.3728]
_cell_length_c [5.4693]
_ce... |
mp-1080018 | Th(CoSn)2 | data_[Th2Co4Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4601]
_cell_length_b [4.4601]
_cell_length_c [9.9823]
_... |
mp-1208445 | Tb5CuPb3 | data_[Tb10Cu2Pb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cu 1.9000 1.3500 0.8200
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.2321]
_cell_length_b [9.2321]
_cell_length_c [6.6837... |
mp-979288 | Ta2NbRh | data_[Ta8Nb4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Nb 1.6000 1.4500 0.8200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4833]
_cell_length_b [6.4833]
_cell_length_c [6.4833]
_c... |
mp-1227161 | CaPr3(FeO3)4 | data_[Ca1Pr3Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Pr 1.1300 1.8500 1.0600
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5088]
_cell_length_b [7.8346... |
mp-2377 | GaMo3 | data_[Ga2Mo6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [Pm-3n]
_cell_length_a [4.9766]
_cell_length_b [4.9766]
_cell_length_c [4.9766]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1218470 | SrCa(Ni2Sn)4 | data_[Sr2Ca2Ni16Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I422]
_cell_length_a [7.8005]
_cell_length_b [7.... |
mp-752536 | Mn5O8 | data_[Mn15O24]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9960]
_cell_length_b [5.9960]
_cell_length_c [15.3861]
_cell_angle_alpha [90.0000]
_cell_... |
mvc-3340 | VZnSF5 | data_[V2Zn2S2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Zn 1.6500 1.3500 0.8800
S 2.5800 1.0000 0.8800
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8224]
_cell_length_b [7.4205]
_... |
mp-1104301 | K3(PbCl4)2 | data_[K3Pb2Cl8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pb 2.3300 1.8000 1.1225
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.6902]
_cell_length_b [8.9989]
_cell_length_c [9.0192]
_cell_... |
mp-1225416 | Eu(ZnGa)2 | data_[Eu2Zn4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3451]
_cell_length_b [4.3451]
_cell_length_c [10.7448]
... |
mp-1207200 | NdAlSi2 | data_[Nd2Al2Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1807]
_cell_length_b [4.1807]
_cell_length_c [11.0457]
_... |
mp-1070859 | TbSiNi4 | data_[Tb2Si2Ni8]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0725]
_cell_length_b [8.1789]
_cell_length_c [3.9560]
_ce... |
mp-4767 | Ce(SiOs)2 | data_[Ce2Si4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1980]
_cell_length_b [4.1980]
_cell_length_c [9.7811]
_... |
mp-557023 | NbVF6 | data_[Nb3V3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.5595]
_cell_length_b [5.5595]
_cell_length_c [14.4514]
_cell_... |
mp-976823 | LaPm3 | data_[La2Pm6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Pm 1.1300 1.8500 1.1100
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.4184]
_cell_length_b [7.4184]
_cell_length_c [5.9773]
_cell_angle_alpha [90.0000]
_ce... |
mp-8057 | Ti3O5 | data_[Ti12O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7965]
_cell_length_b [9.8953]
_cell_length_c [10.0712]
_cell_angle_alpha [90.0000]
_cell_... |
mp-753 | ZnSb | data_[Zn8Sb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [6.2839]
_cell_length_b [7.8228]
_cell_length_c [8.2323]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-31462 | Er5BiPt2 | data_[Er20Bi4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Bi 2.0200 1.6000 1.0350
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7837]
_cell_length_b [7.7837]
_cell_length_c [13.6040]... |
mp-16745 | ErAgPb | data_[Er3Ag3Pb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5102]
_cell_length_b [7.5102]
_cell_length_c [4.5556]
_c... |
mp-867811 | TaMnRu2 | data_[Ta4Mn4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Mn 1.5500 1.4000 0.8775
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2072]
_cell_length_b [6.2072]
_cell_length_c [6.2072]
_c... |
mp-1228620 | Ba2Ca2Tl2Cu3O10 | data_[Ba4Ca4Tl4Cu6O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Ca 1.0000 1.8000 1.1400
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length... |
mp-30821 | LiAl2Rh | data_[Li4Al8Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0383]
_cell_length_b [6.0383]
_cell_length_c [6.0383]
_c... |
mp-768227 | DyNbO4 | data_[Dy4Nb4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6185]
_cell_length_b [4.0243]
_cell_length_c [7.2426]
_ce... |
mp-1219509 | ReOs | data_[Re1Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.7783]
_cell_length_b [2.7783]
_cell_length_c [4.3980]
_cell_angle_alpha [90.0000]
_cell_... |
mp-542734 | Rh2O3 | data_[Rh12O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rh 2.2800 1.3500 0.7450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.2101]
_cell_length_b [5.2101]
_cell_length_c [14.0898]
_cell_angle_alpha [90.0000]
_cell_... |
mp-14242 | Tl2GeSe3 | data_[Tl4Ge2Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ge 2.0100 1.2500 0.7700
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0933]
_cell_length_b [7.2395]
_cell_length_c [8.9597]
_cel... |
mp-1025364 | Dy(TiGa2)2 | data_[Dy2Ti4Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ti 1.5400 1.4000 0.8517
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.7868]
_cell_length_b [6.7868]
_cell_length_c [5.4418]
_... |
mp-1302604 | NaMn3V4O12 | data_[Na3Mn9V12O36]
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 0.8775
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.6161]
_cell_length_b [10.61... |
mp-862890 | AcAg2Sn | data_[Ac4Ag8Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Ag 1.9300 1.6000 1.0867
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4460]
_cell_length_b [7.4460]
_cell_length_c [7.4460]
_c... |
mp-1218971 | SmThN2 | data_[Sm3Th3N6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Th 1.3000 1.8000 1.0800
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6363]
_cell_length_b [3.6363]
_cell_length_c [17.7065]
_cel... |
mp-35659 | HgPbF6 | data_[Hg3Pb3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.6359]
_cell_length_b [5.6359]
_cell_length_c [15.8194]
_cel... |
mp-1182952 | AgBiTe2 | data_[Ag3Bi3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Bi 2.0200 1.6000 1.0350
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4458]
_cell_length_b [4.4458]
_cell_length_c [20.9616]
_... |
mp-1206623 | Cs2RhF6 | data_[Cs2Rh1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rh 2.2800 1.3500 0.7450
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.3049]
_cell_length_b [6.3049]
_cell_length_c [5.1621]
_cel... |
mp-865834 | Yb3GeO | data_[Yb12Ge4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.3548]
_cell_length_b [6.5934]
_cell_length_c [6.5701]
_ce... |
mp-1340 | Ga2Se3 | data_[Ga8Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.8115]
_cell_length_b [11.9939]
_cell_length_c [6.7699]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1186055 | Na | data_[Na20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
]
_symmetry_space_group_name_H-M [P4_132]
_cell_length_a [9.1028]
_cell_length_b [9.1028]
_cell_length_c [9.1028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_ang... |
mp-1227055 | CaLaSi4 | data_[Ca2La2Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.3724]
_cell_length_b [4.3724]
_cell_length_c [13.4681]
_... |
mp-1223751 | HoMnAl | data_[Ho4Mn4Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.4562]
_cell_length_b [5.5045]
_cell_length_c [7.5707]
_ce... |
mp-36381 | Sn(PS3)2 | data_[Sn3P6S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sn 1.9600 1.4500 0.8300
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.1272]
_cell_length_b [6.1272]
_cell_length_c [20.8582]
_cell_a... |
mp-974355 | Mn2S3 | data_[Mn12S18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [5.7357]
_cell_length_b [5.7357]
_cell_length_c [15.9478]
_cell_angle_alpha [90.0000]
_cell_... |
mp-864911 | AcMnO3 | data_[Ac1Mn1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0097]
_cell_length_b [4.0097]
_cell_length_c [4.0097]
_cel... |
mp-7903 | Cs2ZrF6 | data_[Cs2Zr1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Zr 1.3300 1.5500 0.8600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.5223]
_cell_length_b [6.5223]
_cell_length_c [5.1438]
_cel... |
mp-1228377 | Ba3Sr(CoO3)4 | data_[Ba3Sr1Co4O12]
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
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.7857]
_cell_length_b [5.67... |
mp-867164 | Pm3Sn | data_[Pm3Sn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.9334]
_cell_length_b [4.9334]
_cell_length_c [4.9334]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1206625 | Nd2Ge2Ru | data_[Nd8Ge8Ru4]
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
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2412]
_cell_length_b [4.3661]
_cell_length_c [10.5953]
_... |
mp-9906 | Y(Re2Si)2 | data_[Y2Re8Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Re 1.9000 1.3500 0.7125
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.4130]
_cell_length_b [7.4130]
_cell_length_c [4.1461]
_... |
mp-1518103 | BaSrPrWO6 | data_[Ba2Sr2Pr2W2O12]
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
Pr 1.1300 1.8500 1.0600
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a ... |
mp-1188793 | NaCO3 | data_[Na4C4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [3.6638]
_cell_length_b [9.4566]
_cell_length_c [8.3594]
_cel... |
mp-1220049 | NiRuS4 | data_[Ni2Ru2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Ru 2.2000 1.3000 0.6610
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5947]
_cell_length_b [5.6556]
_cell_length_c [5.6749]
_ce... |
mp-1112900 | Cs2TlHgBr6 | data_[Cs8Tl4Hg4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Tl 1.6200 1.9000 1.3325
Hg 2.0000 1.5000 1.2450
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.5385]
_cell_length_b [... |
mp-1105006 | Dy3Ga8Ag3 | data_[Dy6Ga16Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4316]
_cell_length_b [9.4499]
_cell_length_c [12.9347]
_... |
mp-1229053 | AgHgAsO4 | data_[Ag8Hg8As8O32]
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
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [6.3196]
_cell_length_b [12.3... |
mp-780260 | TiGeO3 | data_[Ti6Ge6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.0450]
_cell_length_b [5.0450]
_cell_length_c [19.3656]
_cel... |
mp-1101199 | V4(OF3)3 | data_[V8O6F18]
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 [C2]
_cell_length_a [9.3418]
_cell_length_b [5.2628]
_cell_length_c [8.9002]
_cell_angl... |
mp-11923 | Rb2TaCuS4 | data_[Rb16Ta8Cu8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Ta 1.5000 1.4500 0.8200
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.6126]
_cell_length_b [13.... |
mp-15698 | Sr5As3 | data_[Sr10As6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.0472]
_cell_length_b [9.0472]
_cell_length_c [7.3045]
_cell_angle_alpha [90.0000]
_c... |
mp-776093 | CsAsO3 | data_[Cs4As4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [5.9370]
_cell_length_b [12.5946]
_cell_length_c [5.4608]
_ce... |
mp-1187611 | TmLuAg2 | data_[Tm4Lu4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Lu 1.2700 1.7500 1.0010
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1472]
_cell_length_b [7.1472]
_cell_length_c [7.1472]
_c... |
mp-1279116 | Y(FeO2)2 | data_[Y2Fe4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1263]
_cell_length_b [3.5135]
_cell_length_c [8.8044]
_cell... |
mp-1184613 | GdThRu2 | data_[Gd4Th4Ru8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Th 1.3000 1.8000 1.0800
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9849]
_cell_length_b [6.9849]
_cell_length_c [6.9849]
_c... |
mp-20365 | NpGe3 | data_[Np1Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2289]
_cell_length_b [4.2289]
_cell_length_c [4.2289]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1068869 | ThSi3Ir | data_[Th2Si6Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Si 1.9000 1.1000 0.5400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.2867]
_cell_length_b [4.2867]
_cell_length_c [9.7349]
_ce... |
mp-554201 | MoF3 | data_[Mo1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1995]
_cell_length_b [4.1995]
_cell_length_c [4.1995]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1207197 | Tb2CI | data_[Tb4C2I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
C 2.5500 0.7000 0.3000
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.7752]
_cell_length_b [3.7752]
_cell_length_c [14.8525]
_c... |
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