Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-755185 | LiSbPHO5 | data_[Li2Sb2P2H2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sb 2.0500 1.4500 0.8300
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5... |
mp-1079699 | PrAlNi | data_[Pr3Al3Ni3]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.0801]
_cell_length_b [7.0801]
_cell_length_c [4.0785]
_c... |
mp-976744 | LiEr2Tl | data_[Li4Er8Tl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Er 1.2400 1.7500 1.0300
Tl 1.6200 1.9000 1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4107]
_cell_length_b [7.4107]
_cell_length_c [7.4107]
_c... |
mp-1221770 | MnCr2Se3S | data_[Mn2Cr4Se6S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Cr 1.6600 1.4000 0.9400
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.4441]
_cell_length_b [3.6820... |
mp-1078113 | V(FeSe2)2 | data_[V2Fe4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9208]
_cell_length_b [3.4761]
_cell_length_c [6.3202]
_cel... |
mp-867287 | LiInAu2 | data_[Li4In4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6335]
_cell_length_b [6.6335]
_cell_length_c [6.6335]
_c... |
mp-1080119 | K2PtO6 | data_[K6Pt3O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.5757]
_cell_length_b [6.5757]
_cell_length_c [9.5082]
_cell_a... |
mp-1211609 | K3Mg2Cl7 | data_[K6Mg4Cl14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Mg 1.3100 1.5000 0.8600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0169]
_cell_length_b [5.0169]
_cell_length_c [25.8769]
_... |
mp-1102206 | TbGa4Ni | data_[Tb4Ga16Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1424]
_cell_length_b [15.2598]
_cell_length_c [6.5514]
_... |
mp-21479 | LaIn5Rh | data_[La1In5Rh1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7430]
_cell_length_b [4.7430]
_cell_length_c [7.7013]
_... |
mp-1113680 | Rb2PrAgCl6 | data_[Rb8Pr4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Pr 1.1300 1.8500 1.0600
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.9838]
_cell_length_b [... |
mp-1102499 | SmGa4Ni | data_[Sm4Ga16Ni4]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1825]
_cell_length_b [15.4301]
_cell_length_c [6.5371]
_... |
mp-570485 | SrAlSiH | data_[Sr1Al1Si1H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2294]
_cell_length_b [4.229... |
mp-1185814 | Mg5Hg | data_[Mg5Hg1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [5.3983]
_cell_length_b [5.3983]
_cell_length_c [5.2350]
_cell_angle_alpha [90.0000]
_cell_... |
mp-865663 | YbLuRh2 | data_[Yb4Lu4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Lu 1.2700 1.7500 1.0010
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.6837]
_cell_length_b [6.6837]
_cell_length_c [6.6837]
_c... |
mp-19083 | NaVO3 | data_[Na8V8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.8799]
_cell_length_b [9.7968]
_cell_length_c [6.0164]
_cell... |
mp-505310 | Sr3Fe2Cu2S2O5 | data_[Sr6Fe4Cu4S4O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Fe 1.8300 1.4000 0.8525
Cu 1.9000 1.3500 0.8200
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length... |
mp-753233 | Sb6O5F8 | data_[Sb6O5F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2463]
_cell_length_b [6.2558]
_cell_length_c [14.2058]
_cell_an... |
mp-1084808 | YbAu | data_[Yb4Au4]
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 [Pnma]
_cell_length_a [7.2318]
_cell_length_b [4.6445]
_cell_length_c [5.8638]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-554212 | Tl2Ni3S2 | data_[Tl6Ni9S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5380]
_cell_length_b [5.5380]
_cell_length_c [13.8707]
_cel... |
mp-2062 | LaSi2 | data_[La4Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.3481]
_cell_length_b [4.3481]
_cell_length_c [13.8070]
_cell_angle_alpha [90.0000]
_c... |
mp-1220351 | NbVB4 | data_[Nb1V1B4]
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
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [3.0682]
_cell_length_b [3.0682]
_cell_length_c [6.3511]
_cell... |
mp-864613 | NpAu3 | data_[Np4Au12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9801]
_cell_length_b [6.9801]
_cell_length_c [6.9801]
_cell_angle_alpha [90.0000]
_cell... |
mp-759191 | Li3(CoO2)4 | data_[Li9Co12O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7727]
_cell_length_b [5.7727]
_cell_length_c [14.0459]
_c... |
mp-1183482 | Ca2CuRh | data_[Ca8Cu4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cu 1.9000 1.3500 0.8200
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9970]
_cell_length_b [6.9970]
_cell_length_c [6.9970]
_c... |
mp-1228813 | AlV3 | data_[Al2V6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
V 1.6300 1.3500 0.7775
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.0868]
_cell_length_b [4.2876]
_cell_length_c [8.4714]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1221618 | MnBe4Al | data_[Mn4Be16Al4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Be 1.5700 1.0500 0.5900
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.0730]
_cell_length_b [6.0730]
_cell_length_c [6.0730]
_... |
mp-11417 | TbGa | data_[Tb4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3558]
_cell_length_b [10.9624]
_cell_length_c [4.0947]
_cell_angle_alpha [90.0000]
_cell_... |
mp-7472 | RbAuO2 | data_[Rb4Au4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8803]
_cell_length_b [12.3546]
_cell_length_c [6.1336]
_cel... |
mp-1005689 | Sm6GaCo2 | data_[Sm24Ga4Co8]
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 [Immm]
_cell_length_a [9.4262]
_cell_length_b [9.7879]
_cell_length_c [10.0275]
_... |
mp-753711 | Ca3(PO4)2 | data_[Ca6P4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.6217]
_cell_length_b [8.9201]
_cell_length_c [7.2338]
_cell_an... |
mp-20187 | LiInSe2 | data_[Li4In4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
In 1.7800 1.5500 0.9400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.0388]
_cell_length_b [6.0388]
_cell_length_c [11.9501]
_... |
mp-989528 | Rb2AlInH6 | data_[Rb8Al4In4H24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Al 1.6100 1.2500 0.6750
In 1.7800 1.5500 0.9400
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6425]
_cell_length_b [8.6... |
mp-1078802 | LaVGe3 | data_[La2V2Ge6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
V 1.6300 1.3500 0.7775
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.3177]
_cell_length_b [6.3177]
_cell_length_c [5.6815]
_... |
mp-1103994 | Na5(CN2)3 | data_[Na10C6N12]
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
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [7.2498]
_cell_length_b [7.2498]
_cell_length_c [7.2498]
_cel... |
mp-996995 | MnAgO2 | data_[Mn2Ag2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6883]
_cell_length_b [2.9578]
_cell_length_c [6.4336]
_cell... |
mp-756140 | Li3MnV4O12 | data_[Li3Mn1V4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0333]
_cell_length_b [5.4105]
... |
mp-1205302 | TcO2 | data_[Tc2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tc 1.9000 1.3500 0.7417
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.8497]
_cell_length_b [4.8497]
_cell_length_c [2.7864]
_cell_angle_alpha [90.0000]
_cell... |
mp-559126 | NaZr2CuF11 | data_[Na1Zr2Cu1F11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zr 1.3300 1.5500 0.8600
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5693]
_cell_length_b [5.889... |
mp-28013 | MnI2 | data_[Mn1I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1644]
_cell_length_b [4.1644]
_cell_length_c [7.6487]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1183634 | CdAgAu2 | data_[Cd4Ag4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
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 [6.7073]
_cell_length_b [6.7073]
_cell_length_c [6.7073]
_c... |
mp-1246817 | Mg2MnCr3S8 | data_[Mg6Mn3Cr9S24]
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 [7.2520]
_cell_length_b [7.25... |
mp-1087542 | UNiC2 | data_[U2Ni2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ni 1.9100 1.3500 0.7400
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.5056]
_cell_length_b [3.5056]
_cell_length_c [7.3615]
_cell... |
mp-1219573 | SbH7F12 | data_[Sb2H14F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sb 2.0500 1.4500 0.8300
H 2.2000 0.2500 0.0000
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [14.7361]
_cell_length_b [6.4085]
_cell_length_c [5.2045]
_cell_... |
mp-1095252 | SrFe2Se2O | data_[Sr2Fe4Se4O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Fe 1.8300 1.4000 0.8525
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.1113]
_cell_length_b [9.985... |
mp-33432 | Mg(FeO2)2 | data_[Mg4Fe8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.0114]
_cell_length_b [6.0272]
_cell_length_c [8.5196]
_cel... |
mp-1188989 | Tb3Co2Ge3 | data_[Tb12Co8Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1591]
_cell_length_b [10.5624]
_cell_length_c [14.0325]... |
mp-756184 | MnCoO4 | data_[Mn2Co2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [2.8986]
_cell_length_b [9.9147]
_cell_length_c [4.9780]
_cell... |
mp-867160 | LiCd2Au | data_[Li4Cd8Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cd 1.6900 1.5500 1.0900
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7062]
_cell_length_b [6.7062]
_cell_length_c [6.7062]
_c... |
mp-20337 | ZrPbO3 | data_[Zr2Pb2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1764]
_cell_length_b [5.9614]
_cell_length_c [6.1340]
_cell... |
mp-1210620 | LuSeF | data_[Lu4Se4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Se 2.5500 1.1500 1.0133
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0231]
_cell_length_b [4.0231]
_cell_length_c [17.5450]
... |
mp-1218201 | SrMg2(GaN2)2 | data_[Sr2Mg4Ga4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.8410]
_cell_length_b [3.3672... |
mp-22184 | Ba2SmNbO6 | data_[Ba8Sm4Nb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sm 1.1700 1.8500 1.2290
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 [8.6595]
_cell_length_b [8.6... |
mp-755150 | LiMn3(NiO4)2 | data_[Li2Mn6Ni4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.8459]
_cell_length_b [5.91... |
mp-754209 | Li4Cr3NiO8 | data_[Li4Cr3Ni1O8]
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
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0926]
_cell_length_b [5.900... |
mp-864899 | NpP3 | data_[Np2P6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4057]
_cell_length_b [5.4057]
_cell_length_c [5.2559]
_cell_angle_alpha [90.0000]
_cell... |
mp-1079416 | ZrTi(PbO3)2 | data_[Zr1Ti1Pb2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ti 1.5400 1.4000 0.8517
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0276]
_cell_length_b [4.027... |
mp-1205792 | Zr6NiTe2 | data_[Zr6Ni1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ni 1.9100 1.3500 0.7400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7238]
_cell_length_b [7.7238]
_cell_length_c [3.7161]
_c... |
mp-1094649 | Mg2Ga | data_[Mg8Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.4298]
_cell_length_b [3.0952]
_cell_length_c [7.2057]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1222384 | LiTi4O8 | data_[Li2Ti8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.6434]
_cell_length_b [3.8273]
_cell_length_c [6.4934]
_cell... |
mp-20875 | TbInRh | data_[Tb3In3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5450]
_cell_length_b [7.5450]
_cell_length_c [3.9613]
_c... |
mp-1068035 | Ca2MgPd2 | data_[Ca4Mg2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Mg 1.3100 1.5000 0.8600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3301]
_cell_length_b [5.9330]
_cell_length_c [8.9911]
_ce... |
mp-1077102 | TmSn2 | data_[Tm4Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3960]
_cell_length_b [16.2104]
_cell_length_c [4.3479]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1227050 | CaSmB12 | data_[Ca1Sm1B12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Sm 1.1700 1.8500 1.2290
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1307]
_cell_length_b [4.1307]
_cell_length_c [8.2688]
_c... |
mp-754894 | Li3Mn4O8 | data_[Li9Mn12O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8771]
_cell_length_b [5.8771]
_cell_length_c [15.5315]
_c... |
mp-1224494 | HfAlRh | data_[Hf8Al8Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.2177]
_cell_length_b [5.3558]
_cell_length_c [9.1572]
_ce... |
mp-1185370 | LiMg | data_[Li2Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [4.9126]
_cell_length_b [3.3402]
_cell_length_c [4.9340]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1205981 | TbBiRh | data_[Tb3Bi3Rh3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Bi 2.0200 1.6000 1.0350
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7089]
_cell_length_b [7.7089]
_cell_length_c [3.9985]
_c... |
mp-867280 | Be2IrPt | data_[Be8Ir4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Ir 2.2000 1.3500 0.7650
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.6395]
_cell_length_b [5.6395]
_cell_length_c [5.6395]
_c... |
mp-864991 | Ca2AgPb | data_[Ca8Ag4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6478]
_cell_length_b [7.6478]
_cell_length_c [7.6478]
_c... |
mp-3288 | CsNO2 | data_[Cs3N3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [6.0764]
_cell_length_b [6.0764]
_cell_length_c [8.0962]
_cell... |
mp-1223892 | K3RbMn2F12 | data_[K3Rb1Mn2F12]
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
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.9853]
_cell_length_b [5.985... |
mp-1113542 | Cs2LuAgCl6 | data_[Cs8Lu4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Lu 1.2700 1.7500 1.0010
Ag 1.9300 1.6000 1.0867
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.7705]
_cell_length_b [... |
mp-541310 | CaGaGe | data_[Ca4Ga4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2443]
_cell_length_b [4.2443]
_cell_length_c [17.6426... |
mp-1217421 | TbZnCuAs2 | data_[Tb1Zn1Cu1As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zn 1.6500 1.3500 0.8800
Cu 1.9000 1.3500 0.8200
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1256]
_cell_length_b [4.1... |
mp-8720 | Rb2MnTe2 | data_[Rb8Mn4Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mn 1.5500 1.4000 0.8775
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.7387]
_cell_length_b [14.8302]
_cell_length_c [7.1569]
_c... |
mp-20261 | Mn(GaSe2)2 | data_[Mn2Ga4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.7162]
_cell_length_b [5.7162]
_cell_length_c [10.9715]
_ce... |
mp-756666 | BaCaI4 | data_[Ba4Ca4I16]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [8.1629]
_cell_length_b [8.1629]
_cell_length_c [17.1042]
_... |
mp-2212 | ScCo | data_[Sc1Co1]
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
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.1195]
_cell_length_b [3.1195]
_cell_length_c [3.1195]
_cell_angle_alpha [90.0000]
_cell_... |
mp-972424 | TbYbPt2 | data_[Tb4Yb4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Yb 1.1000 1.7500 1.0840
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9401]
_cell_length_b [6.9401]
_cell_length_c [6.9401]
_c... |
mp-1207144 | Sm2MgPd2 | data_[Sm4Mg2Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Mg 1.3100 1.5000 0.8600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.7103]
_cell_length_b [7.7103]
_cell_length_c [3.9741]
_... |
mp-882 | Ti6O | data_[Ti6O1]
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 [P-31m]
_cell_length_a [5.1133]
_cell_length_b [5.1133]
_cell_length_c [4.7497]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-22864 | Bi2Pt | data_[Bi8Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [6.8332]
_cell_length_b [6.8332]
_cell_length_c [6.8332]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-776532 | HfO2 | data_[Hf2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.8594]
_cell_length_b [4.8594]
_cell_length_c [3.2245]
_cell_angle_alpha [90.0000]
_cell... |
mp-1183268 | AcEuMg2 | data_[Ac4Eu4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ac 1.1000 1.9500 1.2600
Eu 1.2000 1.8500 1.1985
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.1670]
_cell_length_b [8.1670]
_cell_length_c [8.1670]
_c... |
mp-1080760 | ZrAlPt | data_[Zr3Al3Pt3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Al 1.6100 1.2500 0.6750
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.1568]
_cell_length_b [7.1568]
_cell_length_c [3.6629]
_c... |
mp-1188425 | NpB4 | data_[Np4B16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.0650]
_cell_length_b [7.0650]
_cell_length_c [3.9903]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1025174 | U2Mo2C3 | data_[U4Mo4C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Mo 2.1600 1.4500 0.7750
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9105]
_cell_length_b [3.1603]
_cell_length_c [5.5777]
_cell_... |
mp-1205600 | Ba2NdTaO6 | data_[Ba4Nd2Ta2O12]
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
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5758]
_cell_length_b [6.1... |
mp-2233 | Th2Ag | data_[Th8Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.5932]
_cell_length_b [7.5932]
_cell_length_c [5.8928]
_cell_angle_alpha [90.0000]
_cell... |
mp-1185076 | LaHoIn2 | data_[La4Ho4In8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ho 1.2300 1.7500 1.0410
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7242]
_cell_length_b [7.7242]
_cell_length_c [7.7242]
_c... |
mp-1111940 | K2GaCuF6 | data_[K8Ga4Cu4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.3401]
_cell_length_b [8.340... |
mp-1102390 | Eu2Ge3Au | data_[Eu16Ge24Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ge 2.0100 1.2500 0.7700
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.7165]
_cell_length_b [8.8759]
_cell_length_c [15.0829]
... |
mp-16501 | HfAlPd2 | data_[Hf4Al4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Al 1.6100 1.2500 0.6750
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4303]
_cell_length_b [6.4303]
_cell_length_c [6.4303]
_c... |
mp-989569 | Rb2NaPbF6 | data_[Rb8Na4Pb4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Pb 2.3300 1.8000 1.1225
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.1272]
_cell_length_b [9.1... |
mp-1044 | UIr3 | data_[U1Ir3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.0514]
_cell_length_b [4.0514]
_cell_length_c [4.0514]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1216713 | V(CoSe2)2 | data_[V2Co4Se8]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4965]
_cell_length_b [3.4449]
_cell_length_c [6.0534]
_cell_... |
mp-1038916 | MgAl3 | data_[Mg2Al6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1265]
_cell_length_b [4.1265]
_cell_length_c [8.3489]
_cell_angle_alpha [90.0000]
_cell... |
mp-1209933 | Nd9Ga4 | data_[Nd18Ga8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [12.0599]
_cell_length_b [12.0599]
_cell_length_c [5.2038]
_cell_angle_alpha [90.0000]
_cel... |
mp-1104493 | TbZn12 | data_[Tb2Zn24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [8.7507]
_cell_length_b [8.7507]
_cell_length_c [5.4041]
_cell_angle_alpha [90.0000]
_cel... |
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