Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1189119 | Y5Ir3 | data_[Y10Ir6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.3500]
_cell_length_b [8.3500]
_cell_length_c [6.2488]
_cell_angle_alpha [90.0000]
_cel... |
mp-24723 | TaH2 | data_[Ta4H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.5407]
_cell_length_b [4.5407]
_cell_length_c [4.5407]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1187860 | YMg2 | data_[Y8Mg16]
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
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.5452]
_cell_length_b [8.5452]
_cell_length_c [8.5452]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1205941 | LiTmGe | data_[Li3Tm3Ge3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Tm 1.2500 1.7500 1.0950
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9877]
_cell_length_b [6.9877]
_cell_length_c [4.2195]
_c... |
mp-1207205 | Pr(AlGe)2 | data_[Pr1Al2Ge2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3307]
_cell_length_b [4.3307]
_cell_length_c [6.9152]
_c... |
mp-30455 | HoBiPt | data_[Ho4Bi4Pt4]
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
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7285]
_cell_length_b [6.7285]
_cell_length_c [6.7285]
_c... |
mp-866076 | NdAu3 | data_[Nd2Au6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.4997]
_cell_length_b [6.4997]
_cell_length_c [4.8607]
_cell_angle_alpha [90.0000]
_ce... |
mp-27449 | GaTeCl | data_[Ga4Te4Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Te 2.1000 1.4000 1.2933
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [5.9831]
_cell_length_b [15.9060]
_cell_length_c [4.1614]
_c... |
mp-1185912 | MgIn2 | data_[Mg4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6904]
_cell_length_b [3.4359]
_cell_length_c [8.1100]
_cell_angle_alpha [90.0000]
_cell_... |
mp-977359 | CaSnAu2 | data_[Ca4Sn4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1013]
_cell_length_b [7.1013]
_cell_length_c [7.1013]
_c... |
mp-768907 | Sr3TeO6 | data_[Sr9Te3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.0233]
_cell_length_b [6.0233]
_cell_length_c [14.8901]
_cell... |
mp-5386 | Er(SiRh)2 | data_[Er2Si4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Si 1.9000 1.1000 0.5400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0568]
_cell_length_b [4.0568]
_cell_length_c [9.9485]
_... |
mp-646392 | Dy3Co | data_[Dy12Co4]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9026]
_cell_length_b [9.3881]
_cell_length_c [6.2229]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1305082 | LaFeWO6 | data_[La2Fe2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Fe 1.8300 1.4000 0.8525
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.5230]
_cell_length_b [5.5754]
... |
mp-1080067 | ErCoGe2 | data_[Er4Co4Ge8]
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 [Cmcm]
_cell_length_a [4.1015]
_cell_length_b [16.4665]
_cell_length_c [4.1626]
_c... |
mp-613839 | Tb3(MnGe)4 | data_[Tb6Mn8Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Mn 1.5500 1.4000 0.8775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1506]
_cell_length_b [7.0412]
_cell_length_c [13.7849]
_c... |
mp-4660 | Tm(FeGe)2 | data_[Tm2Fe4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Fe 1.8300 1.4000 0.8525
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9480]
_cell_length_b [3.9480]
_cell_length_c [10.1780]
... |
mp-1183808 | DyLuIr2 | data_[Dy4Lu4Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Lu 1.2700 1.7500 1.0010
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7848]
_cell_length_b [6.7848]
_cell_length_c [6.7848]
_c... |
mp-553946 | CoAsS | data_[Co2As2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
As 2.1800 1.1500 0.6600
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.4947]
_cell_length_b [4.5955]
_cell_length_c [5.5730]
_ce... |
mp-1187502 | Tl3Bi | data_[Tl3Bi1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.0377]
_cell_length_b [5.0377]
_cell_length_c [5.0377]
_cell_angle_alpha [90.0000]
_cell_... |
mp-979973 | Sm3Tm | data_[Sm6Tm2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Tm 1.2500 1.7500 1.0950
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.2876]
_cell_length_b [7.2876]
_cell_length_c [5.7720]
_cell_angle_alpha [90.0000]
_ce... |
mp-1183561 | CaHoCd2 | data_[Ca4Ho4Cd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ho 1.2300 1.7500 1.0410
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5478]
_cell_length_b [7.5478]
_cell_length_c [7.5478]
_c... |
mp-492 | TiN | data_[Ti4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.2535]
_cell_length_b [4.2535]
_cell_length_c [4.2535]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1211847 | La12Co6Pb | data_[La24Co12Pb2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Co 1.8800 1.3500 0.7683
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [10.2155]
_cell_length_b [10.2155]
_cell_length_c [10.2155... |
mp-1224480 | Hf3ScGa12 | data_[Hf3Sc1Ga12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Sc 1.3600 1.6000 0.8850
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9780]
_cell_length_b [3.9780]
_cell_length_c [17.6072]
_... |
mp-1217620 | Tb4Si3Ge | data_[Tb4Si3Ge1]
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
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8869]
_cell_length_b [4.3145]
_cell_length_c [10.6263]
_c... |
mp-641564 | U4Ga12Pd | data_[U8Ga24Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.6415]
_cell_length_b [8.6415]
_cell_length_c [8.6415]
_ce... |
mp-12876 | ThPS | data_[Th2P2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
P 2.1900 1.0000 0.5500
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9629]
_cell_length_b [3.9629]
_cell_length_c [8.2183]
_cell... |
mp-1184158 | DyTmRh2 | data_[Dy4Tm4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Tm 1.2500 1.7500 1.0950
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8097]
_cell_length_b [6.8097]
_cell_length_c [6.8097]
_c... |
mp-14089 | TlCuS2 | data_[Tl4Cu4S8]
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 [I-42d]
_cell_length_a [5.6864]
_cell_length_b [5.6864]
_cell_length_c [11.3834]
_ce... |
mp-862364 | Sc2OsPt | data_[Sc8Os4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Os 2.2000 1.3000 0.6730
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5056]
_cell_length_b [6.5056]
_cell_length_c [6.5056]
_c... |
mp-862981 | Er2CdIn | data_[Er8Cd4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4475]
_cell_length_b [7.4475]
_cell_length_c [7.4475]
_c... |
mp-1100769 | SrEuHg2 | data_[Sr4Eu4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Eu 1.2000 1.8500 1.1985
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9582]
_cell_length_b [7.9582]
_cell_length_c [7.9582]
_c... |
mp-1183713 | CeH3 | data_[Ce2H6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6297]
_cell_length_b [3.6297]
_cell_length_c [6.0489]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1224386 | Hf4GeSb7 | data_[Hf4Ge1Sb7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Ge 2.0100 1.2500 0.7700
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.3777]
_cell_length_b [3.9764]
_cell_length_c [9.5625]
_cell... |
mp-865802 | LuRh3 | data_[Lu1Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0115]
_cell_length_b [4.0115]
_cell_length_c [4.0115]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1225541 | Er2TeS2 | data_[Er4Te2S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Te 2.1000 1.4000 1.2933
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1473]
_cell_length_b [5.3263]
_cell_length_c [13.3782]
_cel... |
mp-1078527 | ThAlPd | data_[Th3Al3Pd3]
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
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.3283]
_cell_length_b [7.3283]
_cell_length_c [4.2002]
_c... |
mp-1207961 | Tm5SbPt2 | data_[Tm20Sb4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sb 2.0500 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.6308]
_cell_length_b [7.6308]
_cell_length_c [13.6676]... |
mp-10675 | Ti3AlN | data_[Ti3Al1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Al 1.6100 1.2500 0.6750
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.1299]
_cell_length_b [4.1299]
_cell_length_c [4.1299]
_cel... |
mp-21476 | Fe2N | data_[Fe8N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [4.3474]
_cell_length_b [5.4684]
_cell_length_c [4.7463]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1078250 | Cs2AgBiBr6 | data_[Cs8Ag4Bi4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ag 1.9300 1.6000 1.0867
Bi 2.0200 1.6000 1.0350
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.4883]
_cell_length_b [... |
mp-19063 | ErCrO3 | data_[Er4Cr4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5918]
_cell_length_b [7.6212]
_cell_length_c [5.2675]
_cel... |
mp-1221237 | Na3NdTi2Nb2O12 | data_[Na3Nd1Ti2Nb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Nd 1.1400 1.8500 1.2765
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a... |
mp-27474 | PaBr4 | data_[Pa4Br16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [8.9241]
_cell_length_b [8.9241]
_cell_length_c [8.1959]
_cell_angle_alpha [90.0000]
_c... |
mp-1094907 | Mg2Cd | data_[Mg12Cd6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [5.4123]
_cell_length_b [5.4123]
_cell_length_c [15.6768]
_cell_angle_alpha [90.0000]
_cell_... |
mp-557539 | MoF3 | data_[Mo6F18]
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 [R-3c]
_cell_length_a [5.3888]
_cell_length_b [5.3888]
_cell_length_c [14.6908]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1105217 | BaLa2PdO5 | data_[Ba2La4Pd2O10]
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
Pd 2.2000 1.4000 0.8462
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.9237]
_cell_length_b [6.... |
mp-626724 | LaHO2 | data_[La2H2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4942]
_cell_length_b [3.9402]
_cell_length_c [6.4409]
_cell... |
mp-1184277 | Eu2ZnIr | data_[Eu8Zn4Ir4]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1715]
_cell_length_b [7.1715]
_cell_length_c [7.1715]
_c... |
mp-1219182 | SiGe | data_[Si4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Si 1.9000 1.1000 0.5400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [5.5931]
_cell_length_b [5.5931]
_cell_length_c [5.5931]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1247061 | Mg2Mn3CrS8 | data_[Mg6Mn9Cr3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.8775
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2797]
_cell_length_b [7.27... |
mp-11248 | LiAu3 | data_[Li1Au3]
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 [Pm-3m]
_cell_length_a [4.0736]
_cell_length_b [4.0736]
_cell_length_c [4.0736]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1105665 | Dy5Si3C | data_[Dy10Si6C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Si 1.9000 1.1000 0.5400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.4643]
_cell_length_b [8.4643]
_cell_length_c [6.3824]
... |
mp-1084800 | VGe2 | data_[V3Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_222]
_cell_length_a [4.8136]
_cell_length_b [4.8136]
_cell_length_c [6.6580]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1114554 | KRb2TbCl6 | data_[K4Rb8Tb4Cl24]
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
Tb 1.1000 1.7500 0.9815
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2917]
_cell_length_b [11... |
mp-1080337 | CeSe2 | data_[Ce3Se6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.3052]
_cell_length_b [4.3052]
_cell_length_c [18.7862]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1095575 | Y3(CuSn)4 | data_[Y6Cu8Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4923]
_cell_length_b [6.9795]
_cell_length_c [14.7251]
_cel... |
mp-764744 | V2OF5 | data_[V2O1F5]
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 [P1]
_cell_length_a [5.2299]
_cell_length_b [5.2645]
_cell_length_c [5.4129]
_cell_angle... |
mp-867514 | BaTbMn2O5 | data_[Ba1Tb1Mn2O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Tb 1.1000 1.7500 0.9815
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9854]
_cell_length_b [3.9... |
mp-1020712 | ZnSiN2 | data_[Zn4Si4N8]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.2912]
_cell_length_b [6.3127]
_cell_length_c [5.0687]
_ce... |
mp-540540 | PaBr3O | data_[Pa4Br12O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1152]
_cell_length_b [4.0365]
_cell_length_c [10.0422]
_c... |
mp-1086674 | YbCoGe2 | data_[Yb4Co4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2067]
_cell_length_b [16.7746]
_cell_length_c [4.1157]
_c... |
mp-1219785 | PrSmCo17 | data_[Pr3Sm3Co51]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sm 1.1700 1.8500 1.2290
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3741]
_cell_length_b [8.3741]
_cell_length_c [12.1351]
_c... |
mp-1103973 | Cr2CuO4 | data_[Cr8Cu4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [6.0679]
_cell_length_b [6.0679]
_cell_length_c [8.1758]
... |
mp-571586 | Nd(SiOs)2 | data_[Nd2Si4Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2155]
_cell_length_b [4.2155]
_cell_length_c [9.8931]
_... |
mp-865714 | Li2HgAu | data_[Li8Hg4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Hg 2.0000 1.5000 1.2450
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4580]
_cell_length_b [6.4580]
_cell_length_c [6.4580]
_c... |
mp-573069 | Ba2CaTl2(CuO4)2 | data_[Ba4Ca2Tl4Cu4O16]
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 [I4/mmm]
_cell_leng... |
mp-865317 | Tm2CuPt | data_[Tm8Cu4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Cu 1.9000 1.3500 0.8200
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8541]
_cell_length_b [6.8541]
_cell_length_c [6.8541]
_c... |
mp-1222105 | Mg5MnSb4 | data_[Mg5Mn1Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Mn 1.5500 1.4000 0.8775
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.5681]
_cell_length_b [4.5681]
_cell_length_c [14.5039]
_c... |
mp-1112031 | K2InHgI6 | data_[K8In4Hg4I24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.1300]
_cell_length_b [12.1... |
mp-1111482 | Rb2TlCuCl6 | data_[Rb8Tl4Cu4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.3708]
_cell_length_b [... |
mp-21134 | K(InAu2)2 | data_[K4In8Au16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.8238]
_cell_length_b [8.8238]
_cell_length_c [8.5959]
_c... |
mp-862996 | Pm2CdIn | data_[Pm8Cd4In4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7084]
_cell_length_b [7.7084]
_cell_length_c [7.7084]
_c... |
mp-1213785 | CeSiRh | data_[Ce4Si4Rh4]
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
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.3196]
_cell_length_b [6.3196]
_cell_length_c [6.3196]
_c... |
mp-972051 | YbGa2Pd | data_[Yb4Ga8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4351]
_cell_length_b [9.8686]
_cell_length_c [6.8838]
_ce... |
mp-3204 | YbSnPd | data_[Yb4Sn4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2364]
_cell_length_b [4.5493]
_cell_length_c [8.1980]
_ce... |
mp-16490 | Lu2Al3Co | data_[Lu4Al6Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Al 1.6100 1.2500 0.6750
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4398]
_cell_length_b [5.4398]
_cell_length_c [8.4886]... |
mp-1221565 | MnTlCuSe2 | data_[Mn2Tl2Cu2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Tl 1.6200 1.9000 1.3325
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0246]
_cell_length_b [4.... |
mp-571065 | TiBr3 | data_[Ti6Br18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.4823]
_cell_length_b [6.4823]
_cell_length_c [19.9775]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1182086 | CO2 | data_[C4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
C 2.5500 0.7000 0.3000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [10.9947]
_cell_length_b [3.7668]
_cell_length_c [5.5833]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-865130 | Hf2MoRh | data_[Hf8Mo4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Mo 2.1600 1.4500 0.7750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5569]
_cell_length_b [6.5569]
_cell_length_c [6.5569]
_c... |
mp-978270 | MgZr3 | data_[Mg2Zr6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zr 1.3300 1.5500 0.8600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.3622]
_cell_length_b [6.3622]
_cell_length_c [5.1685]
_cell_angle_alpha [90.0000]
_ce... |
mp-1213005 | ErSiNi | data_[Er4Si4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7606]
_cell_length_b [4.1202]
_cell_length_c [7.0740]
_ce... |
mp-1219037 | SmGaCo | data_[Sm4Ga4Co4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0737]
_cell_length_b [4.1572]
_cell_length_c [7.0309]
_c... |
mp-542443 | TlCr3S5 | data_[Tl4Cr12S20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5135]
_cell_length_b [3.5108]
_cell_length_c [12.0902]
_... |
mp-672326 | In3Ru | data_[In12Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-4n2]
_cell_length_a [7.0922]
_cell_length_b [7.0922]
_cell_length_c [7.3555]
_cell_angle_alpha [90.0000]
_cell... |
mp-448 | CoN | data_[Co4N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [4.2565]
_cell_length_b [4.2565]
_cell_length_c [4.2565]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1225475 | ErSc(BO3)2 | data_[Er3Sc3B6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.8940]
_cell_length_b [4.8940]... |
mp-1080459 | GeTe | data_[Ge4Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.8102]
_cell_length_b [4.1960]
_cell_length_c [4.6407]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1207201 | TmInCo4 | data_[Tm4In4Co16]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.0101]
_cell_length_b [7.0101]
_cell_length_c [7.0101]
_... |
mp-1212133 | HoSiNi | data_[Ho4Si4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8625]
_cell_length_b [4.1630]
_cell_length_c [7.1219]
_ce... |
mp-1217637 | Tb4Si7 | data_[Tb4Si7]
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 [Pm]
_cell_length_a [4.1029]
_cell_length_b [3.9952]
_cell_length_c [13.6215]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-19751 | Ba2YbNbO6 | data_[Ba8Yb4Nb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Yb 1.1000 1.7500 1.0840
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.5764]
_cell_length_b [8.5... |
mp-774479 | LiCa2Ta3O10 | data_[Li2Ca4Ta6O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ca 1.0000 1.8000 1.1400
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.9394]
_cell_length_b [3.9... |
mp-1101938 | FeB2 | data_[Fe4B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [4.8204]
_cell_length_b [4.8080]
_cell_length_c [3.7418]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-9768 | BaSb2Pd | data_[Ba4Sb8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9578]
_cell_length_b [18.7966]
_cell_length_c [4.9856]
_c... |
mp-568838 | Hg4I7 | data_[Hg4I7]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [9.5125]
_cell_length_b [9.5125]
_cell_length_c [6.5839]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1219111 | SmGd(MnNi4)2 | data_[Sm1Gd1Mn2Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Gd 1.2000 1.8000 1.0750
Mn 1.5500 1.4000 0.8775
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9395]
_cell_length_b [4.9... |
mp-8269 | Lu2CdS4 | data_[Lu16Cd8S32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Cd 1.6900 1.5500 1.0900
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.1227]
_cell_length_b [11.1227]
_cell_length_c [11.1227]... |
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