Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-570935 | LiI | data_[Li2I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.5661]
_cell_length_b [4.5661]
_cell_length_c [7.4236]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1247924 | Al2Te3 | data_[Al12Te18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.3236]
_cell_length_b [7.3236]
_cell_length_c [21.6002]
_cell_angle_alpha [90.0000]
_cell_... |
mp-754976 | Cs2BeO2 | data_[Cs4Be2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Be 1.5700 1.0500 0.5900
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4535]
_cell_length_b [4.4535]
_cell_length_c [12.8366]
_c... |
mp-1238775 | NaBC | data_[Na2B2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
B 2.0400 0.8500 0.4100
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.8182]
_cell_length_b [2.8182]
_cell_length_c [8.3902]
_ce... |
mp-1216566 | TlPdPb | data_[Tl8Pd8Pb8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Pd 2.2000 1.4000 0.8462
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.0310]
_cell_length_b [9.5094]
_cell_length_c [10.0883]
_c... |
mp-4961 | Na2HgO2 | data_[Na4Hg2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Hg 2.0000 1.5000 1.2450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.4687]
_cell_length_b [3.4687]
_cell_length_c [13.5187]
_c... |
mp-613327 | Fe(BW)2 | data_[Fe2B4W4]
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
W 2.3600 1.3500 0.7667
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [5.6906]
_cell_length_b [5.6906]
_cell_length_c [3.2339]
_cell... |
mp-1227300 | Ca2GaSi | data_[Ca4Ga2Si2]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1075]
_cell_length_b [4.4608]
_cell_length_c [11.0644]
_c... |
mp-5380 | Ca4P2O | data_[Ca8P4O2]
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 [I4/mmm]
_cell_length_a [4.5122]
_cell_length_b [4.5122]
_cell_length_c [15.0977]
_cel... |
mp-31018 | SrAgBi | data_[Sr2Ag2Bi2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ag 1.9300 1.6000 1.0867
Bi 2.0200 1.6000 1.0350
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.9526]
_cell_length_b [4.9526]
_cell_length_c [8.7897]... |
mp-18861 | BaNd2Mn2O7 | data_[Ba2Nd4Mn4O14]
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
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9701]
_cell_length_b [3.... |
mp-1019080 | ReN2 | data_[Re2N4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [2.9202]
_cell_length_b [4.8128]
_cell_length_c [5.5986]
_cell_angle_alpha [90.0000]
_cell_angle... |
mp-1188779 | Nd5Sb3 | data_[Nd10Sb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [9.3548]
_cell_length_b [9.3548]
_cell_length_c [6.4792]
_cell_angle_alpha [90.0000]
_c... |
mp-1079198 | Sm(CrB3)2 | data_[Sm2Cr4B12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cr 1.6600 1.4000 0.9400
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.0982]
_cell_length_b [6.5291]
_cell_length_c [8.3406]
_cel... |
mp-1206221 | Dy2Ge6Pd | data_[Dy4Ge12Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ge 2.0100 1.2500 0.7700
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1016]
_cell_length_b [4.0799]
_cell_length_c [21.8918]
_... |
mp-1080083 | PrPOsO | data_[Pr2P2Os2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
P 2.1900 1.0000 0.5500
Os 2.2000 1.3000 0.6730
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.0753]
_cell_length_b [4.075... |
mp-5385 | TbSnPd2 | data_[Tb4Sn4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sn 1.9600 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8179]
_cell_length_b [6.8179]
_cell_length_c [6.8179]
_c... |
mp-4259 | Ca(CoGe)2 | data_[Ca2Co4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9755]
_cell_length_b [3.9755]
_cell_length_c [10.3853]
... |
mp-1077471 | YbBiAu | data_[Yb2Bi2Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Bi 2.0200 1.6000 1.0350
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [4.8439]
_cell_length_b [4.8439]
_cell_length_c [7.7949]
_... |
mp-22856 | Bi2S3 | data_[Bi8S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Bi 2.0200 1.6000 1.0350
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.7353]
_cell_length_b [4.0214]
_cell_length_c [11.1705]
_cell_angle_alpha [90.0000]
_cell_... |
mp-30602 | DyMg2 | data_[Dy4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.0560]
_cell_length_b [6.0560]
_cell_length_c [9.7854]
_cell_angle_alpha [90.0000]
_ce... |
mp-754011 | Li(BiO2)3 | data_[Li6Bi18O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.7727]
_cell_length_b [9.7727]
_cell_length_c [10.9950]
_ce... |
mp-559773 | Na4Sr(SiO3)3 | data_[Na12Sr3Si9O27]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sr 0.9500 2.0000 1.3200
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [10.9503]
_cell_length_b [10.... |
mp-1228982 | CsMnFeF6 | data_[Cs4Mn4Fe4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Mn 1.5500 1.4000 0.8775
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.6004]
_cell_length_b [7.63... |
mp-1103877 | Nd3GaCo3 | data_[Nd12Ga4Co12]
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
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2126]
_cell_length_b [10.2861]
_cell_length_c [13.1692]... |
mp-7384 | SmF3 | data_[Sm4F12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6791]
_cell_length_b [7.1011]
_cell_length_c [4.4603]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1214271 | BaZn2Cu2As3 | data_[Ba4Zn8Cu8As12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
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 [Cmcm]
_cell_length_a [4.2100]
_cell_length_b [12... |
mp-1025689 | Mo(WS3)2 | data_[Mo1W2S6]
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
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.1882]
_cell_length_b [3.1882]
_cell_length_c [29.1149]
_cell... |
mp-3569 | Nd(Sb3Os)4 | data_[Nd2Sb24Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Sb 2.0500 1.4500 0.8300
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.4313]
_cell_length_b [9.4313]
_cell_length_c [9.4313]
_c... |
mp-694885 | CaLaMnNbO6 | data_[Ca2La2Mn2Nb2O12]
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
Mn 1.5500 1.4000 0.8775
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a... |
mp-510032 | Ge3Os2 | data_[Ge12Os8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P-4c2]
_cell_length_a [5.8234]
_cell_length_b [5.8234]
_cell_length_c [9.3739]
_cell_angle_alpha [90.0000]
_cell... |
mp-1215893 | YSc | data_[Y1Sc1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Sc 1.3600 1.6000 0.8850
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.4793]
_cell_length_b [3.4793]
_cell_length_c [5.4981]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1178509 | BaSr2I6 | data_[Ba4Sr8I24]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [26.2971]
_cell_length_b [7.9067]
_cell_length_c [8.9748]
_ce... |
mp-1080779 | YZnSn2 | data_[Y2Zn2Sn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3677]
_cell_length_b [4.3677]
_cell_length_c [9.9185]
_ce... |
mp-12953 | TmAgTe2 | data_[Tm1Ag1Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ag 1.9300 1.6000 1.0867
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3419]
_cell_length_b [4.3419]
_cell_length_c [6.9984]
_c... |
mp-758498 | Li2CuSiO4 | data_[Li4Cu2Si2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.0109]
_cell_length_b [5.4563]... |
mp-4505 | La3AlN | data_[La3Al1N1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1010]
_cell_length_b [5.1010]
_cell_length_c [5.1010]
_cel... |
mp-1220203 | NdCdIn | data_[Nd2Cd2In2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cd 1.6900 1.5500 1.0900
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.9489]
_cell_length_b [4.9489]
_cell_length_c [7.7663]
_c... |
mp-1187585 | Tm2RuAu | data_[Tm8Ru4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Ru 2.2000 1.3000 0.6610
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.9084]
_cell_length_b [6.9084]
_cell_length_c [6.9084]
_c... |
mp-1178115 | LaAl3O6 | data_[La4Al12O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.8868]
_cell_length_b [8.9874]
_cell_length_c [6.2490]
_c... |
mp-19419 | LiFeO2 | data_[Li3Fe3O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8834]
_cell_length_b [2.8834]
_cell_length_c [14.3106]
_cel... |
mp-1224592 | GdZnGe | data_[Gd1Zn1Ge1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Zn 1.6500 1.3500 0.8800
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2453]
_cell_length_b [4.2453]
_cell_length_c [4.1520]
_c... |
mp-1212961 | Eu2N | data_[Eu32N16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [10.6055]
_cell_length_b [10.6055]
_cell_length_c [10.6055]
_cell_angle_alpha [90.0000]
_ce... |
mp-643384 | BaHIO | data_[Ba4H4I4O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
H 2.2000 0.2500 0.0000
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1353]
_cell_length_b [4.5592]
_... |
mp-971827 | Zn2CuPt | data_[Zn8Cu4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
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 [6.0712]
_cell_length_b [6.0712]
_cell_length_c [6.0712]
_c... |
mp-20262 | Pu3Pb | data_[Pu3Pb1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pu 1.2800 1.7500 0.9675
Pb 2.3300 1.8000 1.1225
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.7916]
_cell_length_b [4.7916]
_cell_length_c [4.7916]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1225613 | EuInGe | data_[Eu4In4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.0088]
_cell_length_b [4.8883]
_cell_length_c [16.20... |
mp-778828 | Mn3O5F | data_[Mn12O20F4]
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 [C2/m]
_cell_length_a [6.5193]
_cell_length_b [6.3237]
_cell_length_c [9.0041]
_cell... |
mp-1223527 | KMg3AlGe3(O5F)2 | data_[K1Mg3Al1Ge3O10F2]
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
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_... |
mp-23714 | SrH2 | data_[Sr4H8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.3650]
_cell_length_b [3.8612]
_cell_length_c [7.3017]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1183963 | CsRb3 | data_[Cs2Rb6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [10.3845]
_cell_length_b [10.3845]
_cell_length_c [8.2929]
_cell_angle_alpha [90.0000]
_... |
mp-19005 | Y6WO12 | data_[Y18W3O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.8769]
_cell_length_b [9.8769]
_cell_length_c [9.4194]
_cell_an... |
mp-1079542 | CoNiAs | data_[Co3Ni3As3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.0960]
_cell_length_b [6.0960]
_cell_length_c [3.4045]
_c... |
mp-549776 | BaPrMn2O5 | data_[Ba1Pr1Mn2O5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Pr 1.1300 1.8500 1.0600
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 [4.0360]
_cell_length_b [4.0... |
mp-972244 | Tm2ZnGa | data_[Tm8Zn4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0463]
_cell_length_b [7.0463]
_cell_length_c [7.0463]
_c... |
mp-1209914 | Nd2ZnPtO6 | data_[Nd4Zn2Pt2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5063]
_cell_length_b [5.... |
mp-33916 | Nd2CuO4 | data_[Nd4Cu2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6355]
_cell_length_b [5.6435]
_cell_length_c [6.5237]
_cell... |
mvc-12526 | Mg(NiO2)2 | data_[Mg4Ni8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2981]
_cell_length_b [5.8893]
_cell_length_c [5.8926]
_ce... |
mp-980943 | YTmRh2 | data_[Y4Tm4Rh8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
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 [6.8270]
_cell_length_b [6.8270]
_cell_length_c [6.8270]
_cel... |
mp-1019315 | TbSbPd | data_[Tb2Sb2Pd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Sb 2.0500 1.4500 0.8300
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5815]
_cell_length_b [4.5815]
_cell_length_c [7.6459]... |
mp-1206713 | Al2Zn | data_[Al2Zn1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.8283]
_cell_length_b [2.8283]
_cell_length_c [6.9358]
_cell_angle_alpha [90.0000]
_cell_... |
mp-568448 | Cs2AgAuCl6 | data_[Cs8Ag4Au4Cl24]
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
Au 2.5400 1.3500 1.0700
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.4410]
_cell_length_b [... |
mp-1226599 | CeGaGe | data_[Ce4Ga4Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ga 1.8100 1.3000 0.7600
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.2446]
_cell_length_b [4.3364]
_cell_length_c [14.5437]
_c... |
mp-757641 | V5CoO12 | data_[V10Co2O24]
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
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.0688]
_cell_length_b [9.1290]
_cell_length_c [5.8573]
_cell_... |
mp-1205496 | Y2MgSi2 | data_[Y4Mg2Si4]
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
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.1729]
_cell_length_b [7.1729]
_cell_length_c [4.2288]
_ce... |
mp-27723 | USeO5 | data_[U2Se2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.2775]
_cell_length_b [9.5562]
_cell_length_c [5.8351]
_cel... |
mp-569480 | URe2 | data_[U8Re16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.8573]
_cell_length_b [9.0059]
_cell_length_c [8.2967]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-736 | Li3P | data_[Li6P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2359]
_cell_length_b [4.2359]
_cell_length_c [7.5707]
_cell_angle_alpha [90.0000]
_cell... |
mp-1101946 | TbAsPd | data_[Tb4As4Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
As 2.1800 1.1500 0.6600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0796]
_cell_length_b [4.1773]
_cell_length_c [7.9806]
_ce... |
mp-1539819 | ZnWF6 | data_[Zn3W3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
W 2.3600 1.3500 0.7667
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.4761]
_cell_length_b [5.4761]
_cell_length_c [14.2315]
_cell_... |
mp-1219883 | Pr2Nd2Sb3 | data_[Pr8Nd8Sb12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Nd 1.1400 1.8500 1.2765
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [9.5563]
_cell_length_b [9.5563]
_cell_length_c [9.5563]
_... |
mp-753811 | Li2VCrO4 | data_[Li4V2Cr2O8]
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
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.1449]
_cell_length_b [6.0027]... |
mvc-5120 | ReWO6 | data_[Re2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3298]
_cell_length_b [5.3825]
_cell_length_c [9.2670]
_cel... |
mp-754250 | NaLuO2 | data_[Na8Lu8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Lu 1.2700 1.7500 1.0010
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.5745]
_cell_length_b [13.0049]
_cell_length_c [5.8226]
_ce... |
mp-1228905 | Al2FeCo | data_[Al2Fe1Co1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8645]
_cell_length_b [2.8645]
_cell_length_c [5.7337]
_... |
mp-1205866 | Ce(PPt)2 | data_[Ce4P8Pt8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
P 2.1900 1.0000 0.5500
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.3004]
_cell_length_b [4.3004]
_cell_length_c [19.2634]
_c... |
mp-1114633 | Rb3ScI6 | data_[Rb12Sc4I24]
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
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.7283]
_cell_length_b [12.7283]
_cell_length_c [12.7283]... |
mp-14090 | TlCuSe2 | data_[Tl4Cu4Se8]
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
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [5.9546]
_cell_length_b [5.9546]
_cell_length_c [12.0064]
_... |
mp-560129 | Na3La2(BO3)3 | data_[Na6La4B6O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
La 1.1000 1.9500 1.1720
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1831]
_cell_length_b [11.386... |
mp-1206123 | AlFe3H | data_[Al1Fe3H1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Fe 1.8300 1.4000 0.8525
H 2.2000 0.2500 0.0000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.6826]
_cell_length_b [3.6826]
_cell_length_c [3.6826]
_cel... |
mp-764056 | Na3(NiO2)2 | data_[Na12Ni8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.6501]
_cell_length_b [7.9726]
_cell_length_c [10.4828]
_c... |
mp-627 | NpSe | data_[Np4Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Np 1.3600 1.7500 1.0000
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [5.8080]
_cell_length_b [5.8080]
_cell_length_c [5.8080]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1217249 | UCu2(SiNi4)2 | data_[U4Cu8Si8Ni32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [4.8687]
_cell_length_b [11.3... |
mp-1080147 | Ni3Sn | data_[Ni6Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.2457]
_cell_length_b [5.3133]
_cell_length_c [4.5626]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1215219 | ZrTaC2 | data_[Zr3Ta3C6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ta 1.5000 1.4500 0.8200
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.2416]
_cell_length_b [3.2416]
_cell_length_c [15.9737]
_cel... |
mp-1186060 | MnOs3 | data_[Mn2Os6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4187]
_cell_length_b [5.4187]
_cell_length_c [4.2655]
_cell_angle_alpha [90.0000]
_ce... |
mp-1113022 | Cs2LiBiF6 | data_[Cs8Li4Bi4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Li 0.9800 1.4500 0.9000
Bi 2.0200 1.6000 1.0350
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.0843]
_cell_length_b [9.0... |
mp-1183501 | Ca3Cd | data_[Ca3Cd1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.1597]
_cell_length_b [5.1597]
_cell_length_c [5.1597]
_cell_angle_alpha [90.0000]
_cell_... |
mp-675006 | FeOF | data_[Fe4O4F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P4_12_12]
_cell_length_a [4.7890]
_cell_length_b [4.7890]
_cell_length_c [6.0203]
_ce... |
mp-1213688 | CsCaI3 | data_[Cs4Ca4I12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ca 1.0000 1.8000 1.1400
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.9457]
_cell_length_b [12.3216]
_cell_length_c [8.6043]
_ce... |
mp-1029408 | Mg2NbN3 | data_[Mg8Nb4N12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Nb 1.6000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.1983]
_cell_length_b [6.0066]
_cell_length_c [5.3046]
_... |
mp-643084 | Gd2O3 | data_[Gd12O18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4476]
_cell_length_b [3.5811]
_cell_length_c [8.8256]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1205684 | KScTl2F6 | data_[K4Sc4Tl8F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Sc 1.3600 1.6000 0.8850
Tl 1.6200 1.9000 1.3325
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.1699]
_cell_length_b [9.169... |
mp-34293 | CsTaN2 | data_[Cs4Ta4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ta 1.5000 1.4500 0.8200
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [6.2853]
_cell_length_b [6.2853]
_cell_length_c [8.9123]
_cel... |
mp-569147 | UP2 | data_[U8P16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.3679]
_cell_length_b [5.3679]
_cell_length_c [15.4465]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-6870 | KBe2BO3F2 | data_[K3Be6B3O9F6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Be 1.5700 1.0500 0.5900
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [4.45... |
mp-1112606 | Cs3BiF6 | data_[Cs12Bi4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Bi 2.0200 1.6000 1.0350
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.2131]
_cell_length_b [10.2131]
_cell_length_c [10.2131]... |
mp-27439 | TmIO | data_[Tm2I2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8891]
_cell_length_b [3.8891]
_cell_length_c [9.9078]
_cell... |
mp-1186430 | PaZnTc2 | data_[Pa4Zn4Tc8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Zn 1.6500 1.3500 0.8800
Tc 1.9000 1.3500 0.7417
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.4909]
_cell_length_b [6.4909]
_cell_length_c [6.4909]
_c... |
mp-1189735 | ErGa2Co3 | data_[Er3Ga6Co9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ga 1.8100 1.3000 0.7600
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.9275]
_cell_length_b [8.9275]
_cell_length_c [3.8366]
_... |
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