Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-19219 | Li3VO4 | data_[Li6V2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.3977]
_cell_length_b [5.5143]
_cell_length_c [5.0393]
_cell... |
mp-1080113 | ScFeC2 | data_[Sc2Fe2C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Fe 1.8300 1.4000 0.8525
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.3542]
_cell_length_b [3.3542]
_cell_length_c [7.3150]
_ce... |
mp-864790 | Nd2BC | data_[Nd8B4C4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2485]
_cell_length_b [3.6607]
_cell_length_c [9.5696]
_cell_... |
mp-568745 | Rb2Te | data_[Rb8Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1636]
_cell_length_b [6.1277]
_cell_length_c [10.6712]
_cell_angle_alpha [90.0000]
_cell_... |
mp-771782 | Li2Ni(PO3)4 | data_[Li2Ni1P4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9281]
_cell_length_b [7.1161]... |
mp-1018704 | GdAlZn | data_[Gd2Al2Zn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5234]
_cell_length_b [4.5234]
_cell_length_c [7.2209]... |
mp-1105157 | RbNdMnWO6 | data_[Rb2Nd2Mn2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Nd 1.1400 1.8500 1.2765
Mn 1.5500 1.4000 0.8775
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a... |
mp-865569 | Ti2MnIr | data_[Ti8Mn4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Mn 1.5500 1.4000 0.8775
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.0920]
_cell_length_b [6.0920]
_cell_length_c [6.0920]
_c... |
mp-3074 | KAgO | data_[K8Ag8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ag 1.9300 1.6000 1.0867
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [10.0325]
_cell_length_b [10.0325]
_cell_length_c [5.5497]
_ce... |
mp-755609 | Y2SeO2 | data_[Y4Se2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8523]
_cell_length_b [3.8523]
_cell_length_c [12.1850]
_cel... |
mp-1223023 | LaEuAl4 | data_[La4Eu4Al16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Eu 1.2000 1.8500 1.1985
Al 1.6100 1.2500 0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.1587]
_cell_length_b [8.1587]
_cell_length_c [8.1587]
_... |
mp-19009 | NiO | data_[Ni4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.2166]
_cell_length_b [4.2166]
_cell_length_c [4.2166]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1223966 | Ho2AlFe3 | data_[Ho6Al3Fe9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1772]
_cell_length_b [5.1772]
_cell_length_c [12.7003]
_c... |
mp-1113338 | Rb2ScAgCl6 | data_[Rb8Sc4Ag4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sc 1.3600 1.6000 0.8850
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 [10.4800]
_cell_length_b [... |
mp-756304 | Li3V(TeO3)4 | data_[Li3V1Te4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5179]
_cell_length_b [6.2289]
... |
mp-1006056 | PaNi2Ge | data_[Pa4Ni8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Ni 1.9100 1.3500 0.7400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3772]
_cell_length_b [6.3772]
_cell_length_c [6.3772]
_c... |
mp-20339 | Ti2InNi2 | data_[Ti8In4Ni8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [6.9459]
_cell_length_b [6.9459]
_cell_length_c [6.2390]... |
mp-996996 | CrAuO2 | data_[Cr3Au3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.0744]
_cell_length_b [3.0744]
_cell_length_c [18.5455]
_cel... |
mp-1095378 | AsAuO4 | data_[As4Au4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2867]
_cell_length_b [5.9734]
_cell_length_c [8.0531]
_cel... |
mp-867346 | ThCdHg2 | data_[Th4Cd4Hg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.3854]
_cell_length_b [7.3854]
_cell_length_c [7.3854]
_c... |
mp-1114433 | Rb2NaAlCl6 | data_[Rb8Na4Al4Cl24]
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
Al 1.6100 1.2500 0.6750
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.2764]
_cell_length_b [... |
mp-1077459 | YbTe2 | data_[Yb2Te4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3819]
_cell_length_b [4.3819]
_cell_length_c [9.4819]
_cell_angle_alpha [90.0000]
_cell... |
mp-1213682 | CsEr(MoO4)2 | data_[Cs1Er1Mo2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Er 1.2400 1.7500 1.0300
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.0497]
_cell_length_b [6.04... |
mp-755126 | Mn6O11F | data_[Mn6O11F1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5072]
_cell_length_b [5.3990]
_cell_length_c [7.4473]
_cell_an... |
mp-552234 | SrBiBrO2 | data_[Sr4Bi4Br4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Bi 2.0200 1.6000 1.0350
Br 2.9600 1.1500 0.8825
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.8598]
_cell_length_b [13.17... |
mp-1224493 | Hf4FeS8 | data_[Hf8Fe2S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hf 1.3000 1.5500 0.8500
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7119]
_cell_length_b [7.2048]
_cell_length_c [8.5372]
_ce... |
mp-1521602 | SrPrEuSbO6 | data_[Sr2Pr2Eu2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Pr 1.1300 1.8500 1.0600
Eu 1.2000 1.8500 1.1985
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_... |
mp-1206630 | Ho2Ge6Pt | data_[Ho4Ge12Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.0933]
_cell_length_b [4.0722]
_cell_length_c [21.9994]
_... |
mp-867220 | LiTm2Ir | data_[Li4Tm8Ir4]
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
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8615]
_cell_length_b [6.8615]
_cell_length_c [6.8615]
_c... |
mp-1185354 | LiGd2Os | data_[Li4Gd8Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Gd 1.2000 1.8000 1.0750
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9802]
_cell_length_b [6.9802]
_cell_length_c [6.9802]
_c... |
mp-15844 | TaPO5 | data_[Ta2P2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
P 2.1900 1.0000 0.5500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [6.5152]
_cell_length_b [6.5152]
_cell_length_c [4.0499]
_cel... |
mp-1079478 | PrAgSb2 | data_[Pr2Ag2Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ag 1.9300 1.6000 1.0867
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4256]
_cell_length_b [4.4256]
_cell_length_c [10.7888]
... |
mp-31163 | Ce2Si3Rh | data_[Ce4Si6Rh2]
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 [P6/mmm]
_cell_length_a [8.1993]
_cell_length_b [8.1993]
_cell_length_c [4.1055]
_... |
mp-1228200 | Ba2Y2FeCo2CuO10 | data_[Ba4Y4Fe2Co4Cu2O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Y 1.2200 1.8000 1.0400
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_grou... |
mp-12710 | PrZnPd | data_[Pr3Zn3Pd3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Zn 1.6500 1.3500 0.8800
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4911]
_cell_length_b [7.4911]
_cell_length_c [4.0236]
_c... |
mp-1216597 | U2Si3Os | data_[U2Si3Os1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Si 1.9000 1.1000 0.5400
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6785]
_cell_length_b [4.1859]
_cell_length_c [7.0898]
_cell... |
mp-1225493 | ErBPtRh2 | data_[Er1B1Pt1Rh2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
B 2.0400 0.8500 0.4100
Pt 2.2800 1.3500 0.8050
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2304]
_cell_length_b [4.2... |
mp-1216072 | Y2Ga3Ag | data_[Y2Ga3Ag1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.5165]
_cell_length_b [4.5165]
_cell_length_c [7.2354]
_cell... |
mp-1223387 | KNa4Cl5 | data_[K3Na12Cl15]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1174]
_cell_length_b [4.1174]
_cell_length_c [50.7338]
_c... |
mp-618999 | Pr4NiI5 | data_[Pr8Ni2I10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ni 1.9100 1.3500 0.7400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.2254]
_cell_length_b [19.1348]
_cell_length_c [9.1376]
_ce... |
mp-1224273 | HoMnNi2 | data_[Ho9Mn9Ni18]
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
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.1004]
_cell_length_b [5.1004]
_cell_length_c [24.2131]
_c... |
mp-867165 | Pm3Si | data_[Pm3Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7515]
_cell_length_b [4.7515]
_cell_length_c [4.7515]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1224147 | InGa(CuSe2)2 | data_[In2Ga2Cu4Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.7657]
_cell_length_b [5.76... |
mp-16529 | Al6Ru | data_[Al24Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.5019]
_cell_length_b [6.5599]
_cell_length_c [9.0391]
_cell_angle_alpha [90.0000]
_cell_... |
mp-640597 | Ce3(AgGe)4 | data_[Ce6Ag8Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ag 1.9300 1.6000 1.0867
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4597]
_cell_length_b [7.2431]
_cell_length_c [14.7466]
_c... |
mp-980661 | YTlAg2 | data_[Y4Tl4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Tl 1.6200 1.9000 1.3325
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0882]
_cell_length_b [7.0882]
_cell_length_c [7.0882]
_cel... |
mp-22814 | U2Ti3Si4 | data_[U4Ti6Si8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Ti 1.5400 1.4000 0.8517
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8664]
_cell_length_b [6.8522]
_cell_length_c [6.9710]
_ce... |
mp-1246145 | LiReN2 | data_[Li4Re4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Re 1.9000 1.3500 0.7125
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [4.6809]
_cell_length_b [4.6809]
_cell_length_c [9.3385]
_cel... |
mp-752613 | CoSnO3 | data_[Co4Sn4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.3949]
_cell_length_b [7.8105]
_cell_length_c [5.4228]
_cel... |
mp-1227056 | Ce2CoGe4Ru3 | data_[Ce2Co1Ge4Ru3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2069]
_cell_length_b [4.... |
mp-1205810 | EuBr3 | data_[Eu4Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1788]
_cell_length_b [13.4806]
_cell_length_c [9.1013]
_cell_angle_alpha [90.0000]
_cell... |
mp-1186490 | Pm3Dy | data_[Pm3Dy1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1372]
_cell_length_b [5.1372]
_cell_length_c [5.1372]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1227722 | BaSr4Cl10 | data_[Ba3Sr12Cl30]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0494]
_cell_length_b [5.0494]
_cell_length_c [61.6784]
... |
mp-1206101 | AgPbF6 | data_[Ag1Pb1F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ag 1.9300 1.6000 1.0867
Pb 2.3300 1.8000 1.1225
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5707]
_cell_length_b [5.6178]
_cell_length_c [5.9241]
_cell_... |
mp-541911 | HfNCl | data_[Hf6N6Cl6]
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
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5823]
_cell_length_b [3.5823]
_cell_length_c [29.6203]
_cel... |
mp-10132 | UB2Os3 | data_[U1B2Os3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
B 2.0400 0.8500 0.4100
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.5718]
_cell_length_b [5.5718]
_cell_length_c [2.9601]
_cell... |
mp-1207272 | Pr2Ge2Ru | data_[Pr8Ge8Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
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 [11.3429]
_cell_length_b [4.4143]
_cell_length_c [10.6497]
_... |
mp-1018896 | PrPbAu | data_[Pr2Pb2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.9074]
_cell_length_b [4.9074]
_cell_length_c [7.7938]... |
mp-1207980 | TmZrF7 | data_[Tm2Zr2F14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Zr 1.3300 1.5500 0.8600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.0517]
_cell_length_b [5.6646]
_cell_length_c [8.2299]
_cel... |
mp-1023955 | MoW(SeS)2 | data_[Mo1W1Se2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2534]
_cell_length_b [3.2534]... |
mp-763507 | LiCoGeO4 | data_[Li2Co2Ge2O8]
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
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.1407]
_cell_length_b [5.4299]... |
mp-1215484 | Zr2CoMo3 | data_[Zr6Co3Mo9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Co 1.8800 1.3500 0.7683
Mo 2.1600 1.4500 0.7750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2266]
_cell_length_b [5.2266]
_cell_length_c [13.2645]
_c... |
mp-8581 | Sr(PRh)2 | data_[Sr2P4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
P 2.1900 1.0000 0.5500
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9736]
_cell_length_b [3.9736]
_cell_length_c [11.8725]
_c... |
mp-695771 | Eu(Ni3S4)2 | data_[Eu3Ni18S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Ni 1.9100 1.3500 0.7400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.7713]
_cell_length_b [8.7713]
_cell_length_c [10.8783]
_ce... |
mp-1208240 | Tm6InCo2 | data_[Tm24In4Co8]
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 [Immm]
_cell_length_a [9.2990]
_cell_length_b [9.4706]
_cell_length_c [9.9076]
_c... |
mp-4747 | Ca2SnO4 | data_[Ca4Sn2O8]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.8031]
_cell_length_b [9.8411]
_cell_length_c [3.3073]
_cell... |
mp-1226731 | CdHg4Se5 | data_[Cd2Hg8Se10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.4304]
_cell_length_b [4.4304]
_cell_length_c [31.2981]
... |
mp-999490 | NaDyS2 | data_[Na3Dy3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Dy 1.2200 1.7500 1.1310
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9888]
_cell_length_b [3.9888]
_cell_length_c [19.9349]
_cel... |
mp-1112003 | Cs2TlSbCl6 | data_[Cs8Tl4Sb4Cl24]
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
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.4539]
_cell_length_b [... |
mp-1367 | Mg2Si | data_[Mg8Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.3652]
_cell_length_b [6.3652]
_cell_length_c [6.3652]
_cell_angle_alpha [90.0000]
_cell_... |
mp-8848 | TaFeTe3 | data_[Ta2Fe2Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Fe 1.8300 1.4000 0.8525
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0654]
_cell_length_b [3.5379]
_cell_length_c [10.3899]
... |
mp-12469 | LaCd2Pd | data_[La4Cd8Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Cd 1.6900 1.5500 1.0900
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3264]
_cell_length_b [10.2097]
_cell_length_c [8.6484]
_c... |
mp-973455 | LiMg2 | data_[Li4Mg8]
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 [C2/m]
_cell_length_a [10.9404]
_cell_length_b [3.4199]
_cell_length_c [7.1349]
_cell_angle_alpha [90.0000]
_cell_... |
mp-28447 | Mg(BiO3)2 | data_[Mg2Bi4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.9323]
_cell_length_b [4.9323]
_cell_length_c [9.9325]
... |
mp-571265 | Rb2UBr6 | data_[Rb4U2Br12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
U 1.3800 1.7500 0.9913
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [7.9321]
_cell_length_b [7.9321]
_cell_length_c [11.2469]
_... |
mp-1173362 | PrSO | data_[Pr4S4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7467]
_cell_length_b [5.7641]
_cell_length_c [7.0357]
_cell_a... |
mp-1103869 | KCr5Te8 | data_[K2Cr10Te16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Cr 1.6600 1.4000 0.9400
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.4869]
_cell_length_b [4.0328]
_cell_length_c [9.6156]
_c... |
mp-1068239 | SrGe3Pt | data_[Sr2Ge6Pt2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ge 2.0100 1.2500 0.7700
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.5268]
_cell_length_b [4.5268]
_cell_length_c [10.3602]
_c... |
mp-754704 | Li3Co4WO8 | data_[Li6Co8W2O16]
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
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3354]
_cell_length_b [6.156... |
mp-1217971 | Ta2H | data_[Ta4H2]
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 [C2/m]
_cell_length_a [4.8715]
_cell_length_b [3.2659]
_cell_length_c [4.9078]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-12699 | Ca3Au4 | data_[Ca18Au24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.9360]
_cell_length_b [13.9360]
_cell_length_c [5.9770]
_cell_angle_alpha [90.0000]
_cel... |
mp-1156 | GaSb | data_[Ga4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.2191]
_cell_length_b [6.2191]
_cell_length_c [6.2191]
_cell_angle_alpha [90.0000]
_cell_... |
mp-20428 | LiCeGe2 | data_[Li4Ce4Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8745]
_cell_length_b [3.9798]
_cell_length_c [10.6598]
_c... |
mp-38856 | Mn2FeO4 | data_[Mn8Fe4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.1668]
_cell_length_b [6.2527]
_cell_length_c [8.4324]
_cel... |
mp-772082 | CaLaI5 | data_[Ca4La4I20]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4755]
_cell_length_b [14.9101]
_cell_length_c [18.3099]
_c... |
mp-753306 | YUO4 | data_[Y4U4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.3675]
_cell_length_b [5.3675]
_cell_length_c [10.6998]
_ce... |
mp-1210804 | Li2ZnGeS4 | data_[Li4Zn2Ge2S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.5256]
_cell_length_b [6.8... |
mp-1104015 | CsMoO2F3 | data_[Cs4Mo4O8F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.6508]
_cell_length_b [6.8128... |
mp-1216692 | TiNbB4 | data_[Ti1Nb1B4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [3.0759]
_cell_length_b [3.0759]
_cell_length_c [6.5515]
_ce... |
mp-16513 | NdAl3 | data_[Nd2Al6]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.4798]
_cell_length_b [6.4798]
_cell_length_c [4.6610]
_cell_angle_alpha [90.0000]
_ce... |
mp-1112902 | Cs2HgSbCl6 | data_[Cs8Hg4Sb4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Hg 2.0000 1.5000 1.2450
Sb 2.0500 1.4500 0.8300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.1742]
_cell_length_b [... |
mp-1186504 | Pm3Dy | data_[Pm6Dy2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Dy 1.2200 1.7500 1.1310
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.3006]
_cell_length_b [7.3006]
_cell_length_c [5.9310]
_cell_angle_alpha [90.0000]
_ce... |
mp-1188099 | U2SnPt2 | data_[U8Sn4Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Sn 1.9600 1.4500 0.8300
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.7460]
_cell_length_b [7.7460]
_cell_length_c [7.3164]
_... |
mp-568631 | Lu3Mn3Ga2Si | data_[Lu3Mn3Ga2Si1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mn 1.5500 1.4000 0.8775
Ga 1.8100 1.3000 0.7600
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9536]
_cell_length_b [6.... |
mp-753402 | LiV5O7F | data_[Li3V15O21F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.1459]
_cell_length_b [6.1459]
... |
mp-1186418 | PaTi3 | data_[Pa4Ti12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Ti 1.5400 1.4000 0.8517
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.7039]
_cell_length_b [6.7039]
_cell_length_c [6.7039]
_cell_angle_alpha [90.0000]
_cell... |
mp-1183546 | CaTbRh2 | data_[Ca4Tb4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Tb 1.1000 1.7500 0.9815
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8586]
_cell_length_b [6.8586]
_cell_length_c [6.8586]
_c... |
mp-568758 | BiBr | data_[Bi16Br16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6343]
_cell_length_b [4.2681]
_cell_length_c [21.4938]
_cell_angle_alpha [90.0000]
_ce... |
mp-866105 | Ca2HgPb | data_[Ca8Hg4Pb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Hg 2.0000 1.5000 1.2450
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7448]
_cell_length_b [7.7448]
_cell_length_c [7.7448]
_c... |
mp-11525 | TmNi | data_[Tm4Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9496]
_cell_length_b [4.1029]
_cell_length_c [5.3658]
_cell_angle_alpha [90.0000]
_cell_a... |
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