Datasets:
AethronPhantom
/
SSB_Dataset

Dataset card Data Studio Files
xet
 Community
1
mp_id
stringlengths
4
38
elements
listlengths
1
10
atomic_numbers
listlengths
1
200
num_atoms
int32
1
200
num_elements
int32
1
10
fractional_coords
listlengths
1
200
lattice
dict
spacegroup_number
int32
0
230
reduced_formula
stringlengths
1
24
tier
stringclasses
3 values
is_li_containing
bool
2 classes
num_li_atoms
int32
0
104
⌀
band_gap
float32
0
17.9
⌀
energy_above_hull
float32
0
9.71
⌀
formation_energy_per_atom
float32
-5.15
8.99
⌀
is_metal
bool
2 classes
source_tags
listlengths
1
5
⌀
source
stringclasses
4 values
mp-1058490
[ "In", "Eu" ]
[ 63, 49 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.7945640087127686, "b": 3.7945640087127686, "c": 4.300742149353027, "alpha": 90, "beta": 90, "gamma": 90 }
123
EuIn
hard_negative
false
null
0
0
-0.437194
true
[ "metallic" ]
null
mp-1058887
[ "C", "Tl" ]
[ 81, 6 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0 ] ]
{ "a": 3.4095940589904785, "b": 3.4095940589904785, "c": 3.233773946762085, "alpha": 90, "beta": 90, "gamma": 90 }
123
TlC
hard_negative
false
null
0
2.37572
2.37572
true
[ "metallic" ]
null
mp-1059552
[ "Sm", "Bi" ]
[ 62, 83 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.195763111114502, "b": 4.195763111114502, "c": 3.458127021789551, "alpha": 90, "beta": 90, "gamma": 90 }
123
SmBi
hard_negative
false
null
0
0.197216
-0.954543
true
[ "metallic" ]
null
mp-1064484
[ "Na", "Cl" ]
[ 11, 11, 11, 17 ]
4
2
[ [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.8256670236587524 ], [ 0.5, 0.5, 0.17433297634124756 ], [ 0, 0, 0 ] ]
{ "a": 3.4864163398742676, "b": 3.4864163398742676, "c": 9.48696517944336, "alpha": 90, "beta": 90, "gamma": 90 }
123
Na3Cl
hard_negative
false
null
0
0.149395
-0.869806
true
[ "halide", "metallic" ]
null
mp-1065811
[ "O", "Sn" ]
[ 50, 8 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0 ] ]
{ "a": 3.2752010822296143, "b": 3.2752010822296143, "c": 3.0499041080474854, "alpha": 90, "beta": 90, "gamma": 90 }
123
SnO
hard_negative
false
null
0
0.44444
-1.185263
true
[ "oxide", "metallic" ]
null
mp-1066029
[ "Rb", "Bi" ]
[ 37, 83 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 4.685266017913818, "b": 4.685266017913818, "c": 3.8588809967041016, "alpha": 90, "beta": 90, "gamma": 90 }
123
RbBi
hard_negative
false
null
0
0.285646
-0.055795
true
[ "metallic" ]
null
mp-1073705
[ "Mg", "Si" ]
[ 12, 14 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 2.9083940982818604, "b": 2.9083940982818604, "c": 4.103426933288574, "alpha": 90, "beta": 90, "gamma": 90 }
123
MgSi
hard_negative
false
null
0
0.247499
0.16605
true
[ "metallic" ]
null
mp-1078576
[ "N", "Cu" ]
[ 29, 29, 29, 29, 29, 29, 7, 7 ]
8
2
[ [ 0, 0, 0.7620490193367004 ], [ 0, 0, 0.23795099556446075 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0.8288170099258423 ], [ 0.5, 0.5, 0.1711830049753189 ], [ 0, 0, 0 ], [ 0, 0, 0.5 ] ...
{ "a": 3.7047119140625, "b": 3.7047119140625, "c": 7.360918998718262, "alpha": 90, "beta": 90, "gamma": 90 }
123
Cu3N
hard_negative
false
null
0
0.529256
0.529256
true
[ "metallic" ]
null
mp-1079286
[ "C", "Ir" ]
[ 77, 6, 6, 6, 6 ]
5
2
[ [ 0, 0, 0 ], [ 0.5, 0.7975280284881592, 0.5 ], [ 0.5, 0.2024720013141632, 0.5 ], [ 0.7975280284881592, 0.5, 0.5 ], [ 0.2024720013141632, 0.5, 0.5 ] ]
{ "a": 3.4382989406585693, "b": 3.4382989406585693, "c": 4.4040350914001465, "alpha": 90, "beta": 90, "gamma": 90 }
123
IrC4
hard_negative
false
null
0
1.505051
1.505051
true
[ "metallic" ]
null
mp-1080070
[ "Ti", "Pd" ]
[ 22, 22, 22, 46, 46, 46, 46, 46 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.8584709763526917 ], [ 0.5, 0.5, 0.14152899384498596 ], [ 0, 0, 0.5 ], [ 0, 0, 0.7559760212898254 ], [ 0, 0, 0.24402399361133575 ], [ 0.5, 0.5, 0.625855028629303 ], [ 0.5, ...
{ "a": 3.331789016723633, "b": 3.331789016723633, "c": 11.603878021240234, "alpha": 90, "beta": 90, "gamma": 90 }
123
Ti3Pd5
hard_negative
false
null
0
0.317606
-0.309944
true
[ "metallic" ]
null
mp-1080191
[ "N", "Pd" ]
[ 46, 46, 46, 7, 7 ]
5
2
[ [ 0.5, 0.5, 0.315995991230011 ], [ 0.5, 0.5, 0.684004008769989 ], [ 0, 0, 0 ], [ 0, 0, 0.7260919809341431 ], [ 0, 0, 0.27390798926353455 ] ]
{ "a": 2.953218936920166, "b": 2.953218936920166, "c": 7.369770050048828, "alpha": 90, "beta": 90, "gamma": 90 }
123
Pd3N2
hard_negative
false
null
0
0.534185
0.534185
true
[ "metallic" ]
null
mp-1094668
[ "Mg", "Sb" ]
[ 12, 51 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.43162202835083, "b": 3.43162202835083, "c": 4.172849178314209, "alpha": 90, "beta": 90, "gamma": 90 }
123
MgSb
hard_negative
false
null
0
0.141832
-0.214944
true
[ "metallic" ]
null
mp-1094673
[ "Li", "Mg" ]
[ 3, 12 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.3781850337982178, "b": 3.3781850337982178, "c": 3.552609920501709, "alpha": 90, "beta": 90, "gamma": 90 }
123
LiMg
hard_negative
true
1
0
0.0007
-0.051512
true
[ "li", "metallic" ]
null
mp-1094801
[ "Mg", "Sn" ]
[ 12, 50 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.3319618701934814, "b": 3.3319618701934814, "c": 4.228621959686279, "alpha": 90, "beta": 90, "gamma": 90 }
123
MgSn
hard_negative
false
null
0
0.021182
-0.104142
true
[ "metallic" ]
null
mp-1094862
[ "Mg", "Zn" ]
[ 12, 30 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.197632074356079, "b": 3.197632074356079, "c": 3.387289047241211, "alpha": 90, "beta": 90, "gamma": 90 }
123
MgZn
hard_negative
false
null
0
0.053257
-0.052997
true
[ "metallic" ]
null
mp-1094883
[ "Mg", "Ga" ]
[ 12, 31 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.0305490493774414, "b": 3.0305490493774414, "c": 3.9879679679870605, "alpha": 90, "beta": 90, "gamma": 90 }
123
MgGa
hard_negative
false
null
0
0.016862
-0.116361
true
[ "metallic" ]
null
mp-1094964
[ "Mg", "Hf" ]
[ 72, 12 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.115067958831787, "b": 3.115067958831787, "c": 4.464739799499512, "alpha": 90, "beta": 90, "gamma": 90 }
123
HfMg
hard_negative
false
null
0
0.208494
0.208494
true
[ "metallic" ]
null
mp-1094974
[ "Mg", "Zr" ]
[ 12, 40 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.1564149856567383, "b": 3.1564149856567383, "c": 4.460165977478027, "alpha": 90, "beta": 90, "gamma": 90 }
123
MgZr
hard_negative
false
null
0
0.091624
0.091624
true
[ "metallic" ]
null
mp-1094998
[ "Mg", "Ca" ]
[ 20, 12 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 4.027372360229492, "b": 4.027372360229492, "c": 3.861624240875244, "alpha": 90, "beta": 90, "gamma": 90 }
123
CaMg
hard_negative
false
null
0
0.024139
-0.063985
true
[ "metallic" ]
null
mp-1096987
[ "Fe", "Co" ]
[ 26, 27, 27, 27, 27, 27, 27, 27, 27, 27 ]
10
2
[ [ 0, 0, 0 ], [ 0, 0, 0.5 ], [ 0.2809399962425232, 0.2809399962425232, 0.2501550018787384 ], [ 0.7190600037574768, 0.2809399962425232, 0.749845027923584 ], [ 0.2809399962425232, 0.7190600037574768, 0.2501550018787384 ], [ 0.280939996...
{ "a": 5.179243087768555, "b": 5.179243087768555, "c": 4.85901403427124, "alpha": 90, "beta": 90, "gamma": 90 }
123
FeCo9
hard_negative
false
null
0
0.637804
0.626729
true
[ "metallic" ]
null
mp-1097030
[ "Li", "O" ]
[ 3, 8 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 2.6716060638427734, "b": 2.6716060638427734, "c": 2.1318819522857666, "alpha": 90, "beta": 90, "gamma": 90 }
123
Li2O2
hard_negative
true
1
0
0.268204
-1.381967
true
[ "li", "oxide", "metallic" ]
null
mp-1098156
[ "Mg", "La" ]
[ 57, 12, 12, 12 ]
4
2
[ [ 0, 0, 0 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.5 ] ]
{ "a": 4.752653121948242, "b": 4.752653121948242, "c": 4.966865062713623, "alpha": 90, "beta": 90, "gamma": 90 }
123
LaMg3
hard_negative
false
null
0
0.090479
-0.019394
true
[ "metallic" ]
null
mp-1100166
[ "Mg", "Y" ]
[ 39, 12, 12, 12 ]
4
2
[ [ 0, 0, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.886660099029541, "b": 4.886660099029541, "c": 4.219860076904297, "alpha": 90, "beta": 90, "gamma": 90 }
123
YMg3
hard_negative
false
null
0
0.032785
-0.024711
true
[ "metallic" ]
null
mp-1105489
[ "Co", "Hf" ]
[ 72, 27, 27, 27, 27, 27, 27, 27 ]
8
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0.5 ], [ 0.2328449934720993, 0.2328449934720993, 0 ], [ 0.7671549916267395, 0.7671549916267395, 0 ], [ 0.7671549916267395, 0.2328449934720993, 0 ], [ 0.2328449934720993, 0.7671549916267395, 0 ], ...
{ "a": 5.1931471824646, "b": 5.1931471824646, "c": 3.5614750385284424, "alpha": 90, "beta": 90, "gamma": 90 }
123
HfCo7
hard_negative
false
null
0
0.209671
0.077081
true
[ "metallic" ]
null
mp-1120769
[ "Ru", "Pt" ]
[ 44, 78 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 2.746328115463257, "b": 2.746328115463257, "c": 3.9148740768432617, "alpha": 90, "beta": 90, "gamma": 90 }
123
RuPt
hard_negative
false
null
0
0.075815
0.075815
true
[ "metallic" ]
null
mp-11291
[ "Cd", "Ce" ]
[ 58, 48 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.9115099906921387, "b": 3.9115099906921387, "c": 3.730449914932251, "alpha": 90, "beta": 90, "gamma": 90 }
123
CeCd
hard_negative
false
null
0
0.073192
-0.175494
true
[ "metallic" ]
null
mp-11359
[ "Cu", "Ga" ]
[ 31, 31, 29 ]
3
2
[ [ 0.5, 0.5, 0.28432270884513855 ], [ 0.5, 0.5, 0.7156772613525391 ], [ 0, 0, 0 ] ]
{ "a": 2.799435615539551, "b": 2.799435615539551, "c": 5.803340435028076, "alpha": 90, "beta": 90, "gamma": 90 }
123
Ga2Cu
hard_negative
false
null
0
0
-0.080186
true
[ "metallic" ]
null
mp-11470
[ "Pt", "Hg" ]
[ 80, 80, 78 ]
3
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 4.79092264175415, "b": 4.79092264175415, "c": 2.945854425430298, "alpha": 90, "beta": 90, "gamma": 90 }
123
Hg2Pt
hard_negative
false
null
0
0.022149
-0.080404
true
[ "metallic" ]
null
mp-1147530
[ "Cu", "Br" ]
[ 29, 35, 35 ]
3
2
[ [ 0, 0, 0 ], [ 0.5, 0, 0 ], [ 0, 0.5, 0 ] ]
{ "a": 4.831011772155762, "b": 4.831011772155762, "c": 4.210402011871338, "alpha": 90, "beta": 90, "gamma": 90 }
123
CuBr2
hard_negative
false
null
0
0.205744
-0.466498
true
[ "halide", "metallic" ]
null
mp-1147667
[ "Cu", "I" ]
[ 29, 53, 53 ]
3
2
[ [ 0, 0, 0 ], [ 0.5, 0, 0 ], [ 0, 0.5, 0 ] ]
{ "a": 5.200384140014648, "b": 5.200384140014648, "c": 4.544169902801514, "alpha": 90, "beta": 90, "gamma": 90 }
123
CuI2
hard_negative
false
null
0
0.093107
-0.160968
true
[ "halide", "metallic" ]
null
mp-1147672
[ "F", "Cu" ]
[ 29, 9, 9 ]
3
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ] ]
{ "a": 3.7470109462738037, "b": 3.7470109462738037, "c": 3.6073050498962402, "alpha": 90, "beta": 90, "gamma": 90 }
123
CuF2
hard_negative
false
null
0
0.108487
-1.706543
true
[ "halide", "metallic" ]
null
mp-1147700
[ "N", "Cu" ]
[ 29, 29, 7 ]
3
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0 ] ]
{ "a": 2.922585964202881, "b": 2.922585964202881, "c": 3.7648849487304688, "alpha": 90, "beta": 90, "gamma": 90 }
123
Cu2N
hard_negative
false
null
0
0.351218
0.351218
true
[ "metallic" ]
null
mp-1147758
[ "Cl", "Cu" ]
[ 29, 17, 17 ]
3
2
[ [ 0, 0, 0 ], [ 0, 0.5, 0 ], [ 0.5, 0, 0 ] ]
{ "a": 4.520648002624512, "b": 4.520648002624512, "c": 4.31771183013916, "alpha": 90, "beta": 90, "gamma": 90 }
123
CuCl2
hard_negative
false
null
0
0.197127
-0.472899
true
[ "halide", "metallic" ]
null
mp-1147768
[ "O", "Cu" ]
[ 29, 29, 29, 8, 8, 8 ]
6
2
[ [ 0, 0, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ] ]
{ "a": 4.1609368324279785, "b": 4.1609368324279785, "c": 3.8876430988311768, "alpha": 90, "beta": 90, "gamma": 90 }
123
CuO
hard_negative
false
null
0
0.277552
-0.665243
true
[ "oxide", "metallic" ]
null
mp-1179197
[ "O", "Sr" ]
[ 38, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
11
2
[ [ 0.5, 0.5, 0 ], [ 0, 0, 0.8765419721603394 ], [ 0, 0, 0.12345799803733826 ], [ 0.7124710083007812, 0.7124710083007812, 0.6258419752120972 ], [ 0.28752899169921875, 0.28752899169921875, 0.6258419752120972 ], [ 0.28752899169921875, ...
{ "a": 5.758810043334961, "b": 5.758810043334961, "c": 5.0849809646606445, "alpha": 90, "beta": 90, "gamma": 90 }
123
SrO10
hard_negative
false
null
0
0.100574
-0.500648
true
[ "oxide", "metallic" ]
null
mp-1179681
[ "S", "Rb" ]
[ 37, 16 ]
2
2
[ [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ] ]
{ "a": 4.377412796020508, "b": 4.377412796020508, "c": 3.0394749641418457, "alpha": 90, "beta": 90, "gamma": 90 }
123
RbS
hard_negative
false
null
0
0.435396
-0.724069
true
[ "sulfide", "metallic" ]
null
mp-11798
[ "Fe", "Pt" ]
[ 26, 26, 26, 78 ]
4
2
[ [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.8267080783843994, "b": 3.8267080783843994, "c": 3.593290090560913, "alpha": 90, "beta": 90, "gamma": 90 }
123
Fe3Pt
hard_negative
false
null
0
0.0427
-0.073298
true
[ "metallic" ]
null
mp-1180621
[ "S", "K" ]
[ 19, 16 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.385787010192871, "b": 3.385787010192871, "c": 4.439435005187988, "alpha": 90, "beta": 90, "gamma": 90 }
123
KS
hard_negative
false
null
0
0.414539
-0.684941
true
[ "sulfide", "metallic" ]
null
mp-1180861
[ "K", "Pd" ]
[ 19, 19, 46 ]
3
2
[ [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 5.667087078094482, "b": 5.667087078094482, "c": 3.665316104888916, "alpha": 90, "beta": 90, "gamma": 90 }
123
K2Pd
hard_negative
false
null
0
0.131936
0.131936
true
[ "metallic" ]
null
mp-11841
[ "Ag", "Ce" ]
[ 58, 47 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.203022003173828, "b": 3.203022003173828, "c": 4.638803005218506, "alpha": 90, "beta": 90, "gamma": 90 }
123
CeAg
hard_negative
false
null
0
0.06942
-0.063194
true
[ "metallic" ]
null
mp-1185858
[ "Mg", "Cr" ]
[ 12, 24 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.161147117614746, "b": 3.161147117614746, "c": 3.7479000091552734, "alpha": 90, "beta": 90, "gamma": 90 }
123
MgCr
hard_negative
false
null
0
0.604143
0.604143
true
[ "metallic" ]
null
mp-11870
[ "Rh", "Hg" ]
[ 80, 80, 45 ]
3
2
[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 4.605602264404297, "b": 4.605602264404297, "c": 3.0369555950164795, "alpha": 90, "beta": 90, "gamma": 90 }
123
Hg2Rh
hard_negative
false
null
0
0
-0.016613
true
[ "metallic" ]
null
mp-1187597
[ "Mg", "Tm" ]
[ 69, 12, 12, 12 ]
4
2
[ [ 0.5, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ] ]
{ "a": 4.93369197845459, "b": 4.93369197845459, "c": 4.012123107910156, "alpha": 90, "beta": 90, "gamma": 90 }
123
TmMg3
hard_negative
false
null
0
0.017973
-0.029746
true
[ "metallic" ]
null
mp-1187887
[ "In", "Th" ]
[ 90, 49 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.500312328338623, "b": 3.500312328338623, "c": 4.6638102531433105, "alpha": 90, "beta": 90, "gamma": 90 }
123
ThIn
hard_negative
false
null
0
0.014044
-0.385865
true
[ "metallic" ]
null
mp-1194
[ "Cd", "Pt" ]
[ 48, 78 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 2.9854557514190674, "b": 2.9854557514190674, "c": 3.846052885055542, "alpha": 90, "beta": 90, "gamma": 90 }
123
CdPt
hard_negative
false
null
0
0
-0.287571
true
[ "metallic" ]
null
mp-1203286
[ "N", "Cu" ]
[ 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 7, 7, 7, 7, 7, 7, 7, 7 ]
32
2
[ [ 0.5, 0.25135400891304016, 0.5 ], [ 0.5, 0.7486460208892822, 0.5 ], [ 0.7486460208892822, 0.5, 0.5 ], [ 0.25135400891304016, 0.5, 0.5 ], [ 0.5, 0, 0.744953989982605 ], [ 0, 0.5, 0.744953989982605 ], [ 0.5, 0, ...
{ "a": 7.446728229522705, "b": 7.446728229522705, "c": 7.410262107849121, "alpha": 90, "beta": 90, "gamma": 90 }
123
Cu3N
hard_negative
false
null
0
0.540991
0.540991
true
[ "metallic" ]
null
mp-1206225
[ "Te", "Tb" ]
[ 65, 65, 52, 52, 52 ]
5
2
[ [ 0.5, 0.5, 0.2840699851512909 ], [ 0.5, 0.5, 0.7159299850463867 ], [ 0.5, 0.5, 0.6420310139656067 ], [ 0.5, 0.5, 0.3579689860343933 ], [ 0.5, 0.5, 0 ] ]
{ "a": 9.816849708557129, "b": 9.816849708557129, "c": 35.751800537109375, "alpha": 90, "beta": 90, "gamma": 90 }
123
Tb2Te3
general_inorganic
false
null
0.1578
2.856248
1.161531
false
null
null
mp-1206389
[ "Zr", "Cd" ]
[ 40, 40, 48, 48 ]
4
2
[ [ 0.5, 0.5, 0.6238800287246704 ], [ 0.5, 0.5, 0.376120001077652 ], [ 0.5, 0.5, 0.12406399846076965 ], [ 0.5, 0.5, 0.875935971736908 ] ]
{ "a": 2.923564910888672, "b": 2.923564910888672, "c": 12.015827178955078, "alpha": 90, "beta": 90, "gamma": 90 }
123
ZrCd
hard_negative
false
null
0
0.65872
0.518012
true
[ "metallic" ]
null
mp-1206519
[ "Sb", "Hf" ]
[ 72, 72, 51, 51, 51 ]
5
2
[ [ 0.5, 0.5, 0.28476500511169434 ], [ 0.5, 0.5, 0.7152349948883057 ], [ 0.5, 0.5, 0.6427410244941711 ], [ 0.5, 0.5, 0.35725900530815125 ], [ 0.5, 0.5, 0 ] ]
{ "a": 8.82673168182373, "b": 8.82673168182373, "c": 34.718055725097656, "alpha": 90, "beta": 90, "gamma": 90 }
123
Hf2Sb3
general_inorganic
false
null
0.1917
3.402984
2.878276
false
null
null
mp-1206652
[ "Hf", "Au" ]
[ 72, 72, 79, 79 ]
4
2
[ [ 0.5, 0.5, 0.13657400012016296 ], [ 0.5, 0.5, 0.8634260296821594 ], [ 0.5, 0.5, 0.6299120187759399 ], [ 0.5, 0.5, 0.37008801102638245 ] ]
{ "a": 2.8093700408935547, "b": 2.8093700408935547, "c": 11.55554485321045, "alpha": 90, "beta": 90, "gamma": 90 }
123
HfAu
hard_negative
false
null
0
1.067726
0.461947
true
[ "metallic" ]
null
mp-1206659
[ "Hf", "Ir" ]
[ 72, 77 ]
2
2
[ [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ] ]
{ "a": 3.1063003540039062, "b": 3.1063003540039062, "c": 3.6341419219970703, "alpha": 90, "beta": 90, "gamma": 90 }
123
HfIr
hard_negative
false
null
0
0.037814
-0.910173
true
[ "metallic" ]
null
mp-1206672
[ "Cd", "Hf" ]
[ 72, 72, 48, 48 ]
4
2
[ [ 0.5, 0.5, 0.6231300234794617 ], [ 0.5, 0.5, 0.3768700063228607 ], [ 0.5, 0.5, 0.12429200112819672 ], [ 0.5, 0.5, 0.8757079839706421 ] ]
{ "a": 2.9148058891296387, "b": 2.9148058891296387, "c": 11.858744621276855, "alpha": 90, "beta": 90, "gamma": 90 }
123
HfCd
hard_negative
false
null
0
0.718917
0.623008
true
[ "metallic" ]
null
mp-1206688
[ "O", "Sn" ]
[ 50, 50, 8 ]
3
2
[ [ 0.5, 0.5, 0.23510399460792542 ], [ 0.5, 0.5, 0.7648959755897522 ], [ 0.5, 0.5, 0 ] ]
{ "a": 3.224102020263672, "b": 3.224102020263672, "c": 8.375221252441406, "alpha": 90, "beta": 90, "gamma": 90 }
123
Sn2O
hard_negative
false
null
0
0.40294
-0.683528
true
[ "oxide", "metallic" ]
null
mp-1206747
[ "Lu", "Tl" ]
[ 71, 81 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.594871997833252, "b": 3.594871997833252, "c": 3.941506862640381, "alpha": 90, "beta": 90, "gamma": 90 }
123
LuTl
hard_negative
false
null
0
0
-0.251686
true
[ "metallic" ]
null
mp-1206750
[ "Cr", "Pt" ]
[ 24, 78 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 2.9441232681274414, "b": 2.9441232681274414, "c": 3.439451217651367, "alpha": 90, "beta": 90, "gamma": 90 }
123
CrPt
hard_negative
false
null
0
0
-0.275839
true
[ "metallic" ]
null
mp-1206755
[ "Ce", "Tl" ]
[ 58, 81 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.5474600791931152, "b": 3.5474600791931152, "c": 4.689383506774902, "alpha": 90, "beta": 90, "gamma": 90 }
123
CeTl
hard_negative
false
null
0
0
-0.432588
true
[ "metallic" ]
null
mp-1206966
[ "Te", "Tm" ]
[ 69, 69, 52, 52, 52 ]
5
2
[ [ 0.5, 0.5, 0.28436800837516785 ], [ 0.5, 0.5, 0.7156320214271545 ], [ 0.5, 0.5, 0.6422629952430725 ], [ 0.5, 0.5, 0.3577370047569275 ], [ 0.5, 0.5, 0 ] ]
{ "a": 9.473163604736328, "b": 9.473163604736328, "c": 35.69310760498047, "alpha": 90, "beta": 90, "gamma": 90 }
123
Tm2Te3
hard_negative
false
null
0
2.859097
1.224634
true
[ "metallic" ]
null
mp-1206986
[ "Te", "Lu" ]
[ 71, 71, 52, 52, 52 ]
5
2
[ [ 0.5, 0.5, 0.28424298763275146 ], [ 0.5, 0.5, 0.7157570123672485 ], [ 0.5, 0.5, 0.6421290040016174 ], [ 0.5, 0.5, 0.35787099599838257 ], [ 0.5, 0.5, 0 ] ]
{ "a": 9.52369213104248, "b": 9.52369213104248, "c": 35.550537109375, "alpha": 90, "beta": 90, "gamma": 90 }
123
Lu2Te3
general_inorganic
false
null
0.1543
2.785525
1.191386
false
null
null
mp-1207006
[ "Sb", "Th" ]
[ 90, 90, 51, 51, 51 ]
5
2
[ [ 0.5, 0.5, 0.2834630012512207 ], [ 0.5, 0.5, 0.7165369987487793 ], [ 0.5, 0.5, 0.6408320069313049 ], [ 0.5, 0.5, 0.35916799306869507 ], [ 0.5, 0.5, 0 ] ]
{ "a": 10.713802337646484, "b": 10.713802337646484, "c": 35.79975509643555, "alpha": 90, "beta": 90, "gamma": 90 }
123
Th2Sb3
general_inorganic
false
null
0.1643
3.603117
2.553752
false
null
null
mp-1207089
[ "In", "Lu" ]
[ 71, 49 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.4415528774261475, "b": 3.4415528774261475, "c": 4.16248893737793, "alpha": 90, "beta": 90, "gamma": 90 }
123
LuIn
hard_negative
false
null
0
0
-0.511195
true
[ "metallic" ]
null
mp-1207100
[ "Sc", "In" ]
[ 21, 49 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.19494366645813, "b": 3.19494366645813, "c": 4.379735469818115, "alpha": 90, "beta": 90, "gamma": 90 }
123
ScIn
hard_negative
false
null
0
0
-0.550791
true
[ "metallic" ]
null
mp-1207258
[ "Te", "Dy" ]
[ 66, 66, 52, 52, 52 ]
5
2
[ [ 0.5, 0.5, 0.28446999192237854 ], [ 0.5, 0.5, 0.7155299782752991 ], [ 0.5, 0.5, 0.6422960162162781 ], [ 0.5, 0.5, 0.3577040135860443 ], [ 0.5, 0.5, 0 ] ]
{ "a": 9.6107177734375, "b": 9.6107177734375, "c": 35.85900115966797, "alpha": 90, "beta": 90, "gamma": 90 }
123
Dy2Te3
hard_negative
false
null
0.0267
2.866558
1.18543
false
null
null
mp-1207280
[ "Te", "Ho" ]
[ 67, 67, 52, 52, 52 ]
5
2
[ [ 0.5, 0.5, 0.28446799516677856 ], [ 0.5, 0.5, 0.7155320048332214 ], [ 0.5, 0.5, 0.6422860026359558 ], [ 0.5, 0.5, 0.3577139973640442 ], [ 0.5, 0.5, 0 ] ]
{ "a": 9.591044425964355, "b": 9.591044425964355, "c": 35.79240417480469, "alpha": 90, "beta": 90, "gamma": 90 }
123
Ho2Te3
hard_negative
false
null
0.092
2.807213
1.141564
false
null
null
mp-1207317
[ "P", "U" ]
[ 92, 92, 15, 15, 15 ]
5
2
[ [ 0.5, 0.5, 0.2840123474597931 ], [ 0.5, 0.5, 0.7159876227378845 ], [ 0.5, 0.5, 0.6418432593345642 ], [ 0.5, 0.5, 0.3581567406654358 ], [ 0.5, 0.5, 0 ] ]
{ "a": 8.250858306884766, "b": 8.250858306884766, "c": 31.37165641784668, "alpha": 90, "beta": 90, "gamma": 90 }
123
U2P3
hard_negative
false
null
0
4.106176
2.967729
true
[ "metallic" ]
null
mp-1207320
[ "Bi", "Th" ]
[ 90, 90, 83, 83, 83 ]
5
2
[ [ 0.5, 0.5, 0.28500598669052124 ], [ 0.5, 0.5, 0.7149940133094788 ], [ 0.5, 0.5, 0.6428930163383484 ], [ 0.5, 0.5, 0.357107013463974 ], [ 0.5, 0.5, 0 ] ]
{ "a": 10.689849853515625, "b": 10.689849853515625, "c": 38.763301849365234, "alpha": 90, "beta": 90, "gamma": 90 }
123
Th2Bi3
general_inorganic
false
null
0.2028
3.360247
2.768059
false
null
null
mp-1207355
[ "As", "U" ]
[ 92, 92, 33, 33, 33 ]
5
2
[ [ 0.5, 0.5, 0.2837483882904053 ], [ 0.5, 0.5, 0.7162516117095947 ], [ 0.5, 0.5, 0.6417381167411804 ], [ 0.5, 0.5, 0.35826191306114197 ], [ 0.5, 0.5, 0 ] ]
{ "a": 8.665757179260254, "b": 8.665757179260254, "c": 33.173736572265625, "alpha": 90, "beta": 90, "gamma": 90 }
123
U2As3
hard_negative
false
null
0
3.820978
2.794653
true
[ "metallic" ]
null
mp-1207380
[ "Zr", "In" ]
[ 40, 49 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.1406490802764893, "b": 3.1406490802764893, "c": 4.454100608825684, "alpha": 90, "beta": 90, "gamma": 90 }
123
ZrIn
hard_negative
false
null
0
0
-0.439153
true
[ "metallic" ]
null
mp-1208168
[ "P", "U" ]
[ 92, 15, 15, 15, 15 ]
5
2
[ [ 0.5, 0.5, 0 ], [ 0.5, 0.5, 0.6457039713859558 ], [ 0.5, 0.5, 0.3542959988117218 ], [ 0.5, 0.5, 0.28165900707244873 ], [ 0.5, 0.5, 0.7183409929275513 ] ]
{ "a": 6.68510103225708, "b": 6.68510103225708, "c": 26.2113037109375, "alpha": 90, "beta": 90, "gamma": 90 }
123
UP4
hard_negative
false
null
0
2.539774
1.960077
true
[ "metallic" ]
null
mp-1208426
[ "Ga", "Tm" ]
[ 69, 69, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31 ]
14
2
[ [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0.872871994972229, 0, 0.3510740101337433 ], [ 0.127128005027771, 0, 0.3510740101337433 ], [ 0, 0.872871994972229, 0.3510740101337433 ], [ 0, 0.127128005027771, 0.6489260196685791 ], [ ...
{ "a": 14.418349266052246, "b": 14.418349266052246, "c": 17.702735900878906, "alpha": 90, "beta": 90, "gamma": 90 }
123
TmGa6
hard_negative
false
null
0.0325
1.899621
1.582721
false
null
null
mp-1208550
[ "Pd", "Ta" ]
[ 73, 73, 46, 46 ]
4
2
[ [ 0.5, 0.5, 0.6246690154075623 ], [ 0.5, 0.5, 0.37533101439476013 ], [ 0.5, 0.5, 0.1574079990386963 ], [ 0.5, 0.5, 0.8425920009613037 ] ]
{ "a": 2.723517894744873, "b": 2.723517894744873, "c": 11.199695587158203, "alpha": 90, "beta": 90, "gamma": 90 }
123
TaPd
hard_negative
false
null
0
1.049326
0.682414
true
[ "metallic" ]
null
mp-1208665
[ "O", "Sr" ]
[ 38, 8, 8, 8, 8 ]
5
2
[ [ 0.5, 0.5, 0.5 ], [ 0.5, 0.5, 0.19433699548244476 ], [ 0.5, 0.5, 0.805662989616394 ], [ 0.5, 0.5, 0.690729022026062 ], [ 0.5, 0.5, 0.3092710077762604 ] ]
{ "a": 9.487288475036621, "b": 9.487288475036621, "c": 11.491318702697754, "alpha": 90, "beta": 90, "gamma": 90 }
123
SrO4
general_inorganic
false
null
0.3004
0.883197
-0.43949
false
[ "oxide" ]
null
mp-1208775
[ "Ga", "Tb" ]
[ 65, 65, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31 ]
14
2
[ [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0.8747079968452454, 0, 0.35069799423217773 ], [ 0.12529200315475464, 0, 0.35069799423217773 ], [ 0, 0.8747079968452454, 0.35069799423217773 ], [ 0, 0.12529200315475464, 0.6493020057678223 ],...
{ "a": 14.555498123168945, "b": 14.555498123168945, "c": 18.11439323425293, "alpha": 90, "beta": 90, "gamma": 90 }
123
TbGa6
hard_negative
false
null
0
1.902853
1.541539
true
[ "metallic" ]
null
mp-1209830
[ "P", "Br" ]
[ 15, 35, 35 ]
3
2
[ [ 0.5, 0.5, 0.5 ], [ 0.5, 0.5, 0.07936099916696548 ], [ 0.5, 0.5, 0.9206389784812927 ] ]
{ "a": 10.104816436767578, "b": 10.104816436767578, "c": 14.527105331420898, "alpha": 90, "beta": 90, "gamma": 90 }
123
PBr2
general_inorganic
false
null
1.7542
1.605635
0.905635
false
[ "halide" ]
null
mp-1210439
[ "Ga", "Sm" ]
[ 62, 62, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31 ]
14
2
[ [ 0, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0, 0.8921559453010559, 0.40277376770973206 ], [ 0, 0.10784406960010529, 0.40277376770973206 ], [ 0.8921559453010559, 0, 0.40277376770973206 ], [ 0.10784406960010529, 0, 0.5972262620925903 ],...
{ "a": 17.851547241210938, "b": 17.851547241210938, "c": 13.106840133666992, "alpha": 90, "beta": 90, "gamma": 90 }
123
SmGa6
general_inorganic
false
null
0.1123
1.71636
1.332639
false
null
null
mp-1212550
[ "Sc", "Sb" ]
[ 21, 21, 21, 51, 51 ]
5
2
[ [ 0.5, 0.5, 0 ], [ 0.5, 0.5, 0.6575296521186829 ], [ 0.5, 0.5, 0.34247034788131714 ], [ 0.5, 0.5, 0.2829330861568451 ], [ 0.5, 0.5, 0.7170668840408325 ] ]
{ "a": 12.840597152709961, "b": 12.840597152709961, "c": 41.9616584777832, "alpha": 90, "beta": 90, "gamma": 90 }
123
Sc3Sb2
general_inorganic
false
null
0.1292
3.386714
2.401842
false
null
null
mp-1213
[ "Sb", "Nd" ]
[ 60, 51 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.109477996826172, "b": 4.109477996826172, "c": 3.4508070945739746, "alpha": 90, "beta": 90, "gamma": 90 }
123
NdSb
hard_negative
false
null
0
0.254323
-1.178406
true
[ "metallic" ]
null
mp-1213556
[ "Ga", "Er" ]
[ 68, 68, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31 ]
14
2
[ [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0.8723660111427307, 0, 0.35116198658943176 ], [ 0.12763400375843048, 0, 0.35116198658943176 ], [ 0, 0.8723660111427307, 0.35116198658943176 ], [ 0, 0.12763400375843048, 0.6488379836082458 ],...
{ "a": 14.30941390991211, "b": 14.30941390991211, "c": 17.699329376220703, "alpha": 90, "beta": 90, "gamma": 90 }
123
ErGa6
hard_negative
false
null
0.0277
1.901323
1.574793
false
null
null
mp-1215236
[ "Ti", "Zr" ]
[ 40, 22 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 3.1119349002838135, "b": 3.1119349002838135, "c": 4.197764873504639, "alpha": 90, "beta": 90, "gamma": 90 }
123
ZrTi
hard_negative
false
null
0
0.088335
0.088335
true
[ "metallic" ]
null
mp-1215257
[ "Zr", "Rh" ]
[ 40, 45 ]
2
2
[ [ 0, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 3.246242046356201, "b": 3.246242046356201, "c": 3.3512637615203857, "alpha": 90, "beta": 90, "gamma": 90 }
123
ZrRh
hard_negative
false
null
0
0.051663
-0.833622
true
[ "metallic" ]
null
mp-1215274
[ "Zr", "Au" ]
[ 40, 79 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.1656556129455566, "b": 3.1656556129455566, "c": 3.917544364929199, "alpha": 90, "beta": 90, "gamma": 90 }
123
ZrAu
hard_negative
false
null
0
0.065754
-0.532984
true
[ "metallic" ]
null
mp-1215473
[ "Fe", "Zn" ]
[ 30, 26 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 2.54160213470459, "b": 2.54160213470459, "c": 3.8701512813568115, "alpha": 90, "beta": 90, "gamma": 90 }
123
ZnFe
hard_negative
false
null
0
0.022561
-0.008659
true
[ "metallic" ]
null
mp-1215488
[ "Zn", "Pd" ]
[ 30, 30, 30, 30, 30, 46, 46, 46 ]
8
2
[ [ 0, 0, 0.873228907585144 ], [ 0, 0, 0.12677109241485596 ], [ 0, 0, 0.374837726354599 ], [ 0, 0, 0.6251622438430786 ], [ 0.5, 0.5, 0 ], [ 0.5, 0.5, 0.24993503093719482 ], [ 0.5, 0.5, 0.5 ], [ 0.5, ...
{ "a": 3.04829740524292, "b": 3.04829740524292, "c": 12.070802688598633, "alpha": 90, "beta": 90, "gamma": 90 }
123
Zn5Pd3
hard_negative
false
null
0
0.047155
-0.425068
true
[ "metallic" ]
null
mp-1215509
[ "Zn", "Pd" ]
[ 30, 30, 46, 46, 46, 46 ]
6
2
[ [ 0.5, 0.5, 0.3363732695579529 ], [ 0.5, 0.5, 0.6636267304420471 ], [ 0, 0, 0.8151770234107971 ], [ 0, 0, 0.18482299149036407 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]
{ "a": 2.89005446434021, "b": 2.89005446434021, "c": 10.291831016540527, "alpha": 90, "beta": 90, "gamma": 90 }
123
ZnPd2
hard_negative
false
null
0
0.038105
-0.424093
true
[ "metallic" ]
null
mp-1215845
[ "Ru", "Yb" ]
[ 70, 70, 44 ]
3
2
[ [ 0, 0, 0.7662199139595032 ], [ 0, 0, 0.23378008604049683 ], [ 0.5, 0.5, 0 ] ]
{ "a": 3.2952232360839844, "b": 3.2952232360839844, "c": 6.85715389251709, "alpha": 90, "beta": 90, "gamma": 90 }
123
Yb2Ru
hard_negative
false
null
0
0
-0.389073
true
[ "metallic" ]
null
mp-1215997
[ "Y", "In" ]
[ 39, 49 ]
2
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.5424349308013916, "b": 3.5424349308013916, "c": 4.194960594177246, "alpha": 90, "beta": 90, "gamma": 90 }
123
YIn
hard_negative
false
null
0
0.002152
-0.601434
true
[ "metallic" ]
null
mp-1216314
[ "V", "Ni" ]
[ 23, 28, 28, 28 ]
4
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.7469800114631653 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.2530199885368347 ] ]
{ "a": 2.5204880237579346, "b": 2.5204880237579346, "c": 7.122372150421143, "alpha": 90, "beta": 90, "gamma": 90 }
123
VNi3
hard_negative
false
null
0
0.146584
-0.069335
true
[ "metallic" ]
null
mp-1216590
[ "Mg", "Tm" ]
[ 69, 69, 69, 12 ]
4
2
[ [ 0.5, 0.5, 0.7621681690216064 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.23783181607723236 ], [ 0, 0, 0 ] ]
{ "a": 3.5199599266052246, "b": 3.5199599266052246, "c": 9.203789710998535, "alpha": 90, "beta": 90, "gamma": 90 }
123
Tm3Mg
hard_negative
false
null
0
0.029537
-0.011885
true
[ "metallic" ]
null
mp-1216611
[ "In", "Tl" ]
[ 81, 49, 49, 49 ]
4
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.7342755198478699 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.2657245099544525 ] ]
{ "a": 3.2160797119140625, "b": 3.2160797119140625, "c": 10.586024284362793, "alpha": 90, "beta": 90, "gamma": 90 }
123
TlIn3
hard_negative
false
null
0
0.008411
0.008411
true
[ "metallic" ]
null
mp-1216825
[ "Ti", "In" ]
[ 22, 49 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 2.982595920562744, "b": 2.982595920562744, "c": 4.266613006591797, "alpha": 90, "beta": 90, "gamma": 90 }
123
TiIn
hard_negative
false
null
0
0
-0.139313
true
[ "metallic" ]
null
mp-1217081
[ "Al", "Ti" ]
[ 22, 22, 22, 13, 13, 13, 13, 13 ]
8
2
[ [ 0, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.2504879832267761 ], [ 0, 0.5, 0.7495120167732239 ], [ 0.5, 0, 0.2504879832267761 ], [ 0.5, 0, 0.7495120167732239 ], [ 0, 0, 0 ]...
{ "a": 3.89538311958313, "b": 3.89538311958313, "c": 8.326024055480957, "alpha": 90, "beta": 90, "gamma": 90 }
123
Ti3Al5
hard_negative
false
null
0
0.032383
-0.43391
true
[ "metallic" ]
null
mp-1217113
[ "Ti", "Ir" ]
[ 22, 22, 22, 22, 22, 22, 77, 77, 77, 77 ]
10
2
[ [ 0.5, 0.5, 0.10667400062084198 ], [ 0.5, 0.5, 0.30286499857902527 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0.5, 0.6971349716186523 ], [ 0.5, 0.5, 0.8933259844779968 ], [ 0, 0, 0 ], [ 0, 0, 0.20577700436115265 ], [ ...
{ "a": 3.1095778942108154, "b": 3.1095778942108154, "c": 15.968663215637207, "alpha": 90, "beta": 90, "gamma": 90 }
123
Ti3Ir2
hard_negative
false
null
0
0.057115
-0.687971
true
[ "metallic" ]
null
mp-1217326
[ "Pd", "Te" ]
[ 52, 46, 46, 46 ]
4
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.7480900287628174 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.251910001039505 ] ]
{ "a": 3.5162322521209717, "b": 3.5162322521209717, "c": 5.695333480834961, "alpha": 90, "beta": 90, "gamma": 90 }
123
TePd3
hard_negative
false
null
0
0.115989
-0.155622
true
[ "metallic" ]
null
mp-1217345
[ "Zr", "Th" ]
[ 90, 40, 40, 40 ]
4
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.7354429960250854 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.26455700397491455 ] ]
{ "a": 3.2838521003723145, "b": 3.2838521003723145, "c": 9.449069023132324, "alpha": 90, "beta": 90, "gamma": 90 }
123
ThZr3
hard_negative
false
null
0
0.075075
0.075075
true
[ "metallic" ]
null
mp-1217358
[ "Te", "Au" ]
[ 52, 52, 52, 79 ]
4
2
[ [ 0, 0, 0.2024947553873062 ], [ 0, 0, 0.5 ], [ 0, 0, 0.797505259513855 ], [ 0, 0, 0 ] ]
{ "a": 3.1026010513305664, "b": 3.1026010513305664, "c": 12.939469337463379, "alpha": 90, "beta": 90, "gamma": 90 }
123
Te3Au
hard_negative
false
null
0
0.081144
0.012965
true
[ "metallic" ]
null
mp-1217367
[ "B", "Th" ]
[ 90, 90, 90, 90, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5 ]
34
2
[ [ 0, 0, 0.19584600627422333 ], [ 0, 0, 0.39923399686813354 ], [ 0, 0, 0.6007660031318665 ], [ 0, 0, 0.8041539788246155 ], [ 0.5, 0.5, 0.1612509936094284 ], [ 0.5, 0.5, 0.3606629967689514 ], [ 0.5, 0.5, 0.5604...
{ "a": 4.11765718460083, "b": 4.11765718460083, "c": 20.583677291870117, "alpha": 90, "beta": 90, "gamma": 90 }
123
Th2B15
hard_negative
false
null
0
0.011059
-0.422834
true
[ "metallic" ]
null
mp-1217469
[ "Te", "Tb" ]
[ 65, 52, 52 ]
3
2
[ [ 0, 0, 0 ], [ 0, 0, 0.2840760052204132 ], [ 0, 0, 0.7159240245819092 ] ]
{ "a": 3.2587358951568604, "b": 3.2587358951568604, "c": 10.743370056152344, "alpha": 90, "beta": 90, "gamma": 90 }
123
TbTe2
hard_negative
false
null
0
1.138259
-0.279314
true
[ "metallic" ]
null
mp-1217629
[ "Mg", "Tb" ]
[ 65, 65, 65, 12 ]
4
2
[ [ 0.5, 0.5, 0.766191303730011 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.2338087111711502 ], [ 0, 0, 0 ] ]
{ "a": 3.6179819107055664, "b": 3.6179819107055664, "c": 9.167219161987305, "alpha": 90, "beta": 90, "gamma": 90 }
123
Tb3Mg
hard_negative
false
null
0
0.022284
-0.012018
true
[ "metallic" ]
null
mp-1217961
[ "Ta", "Au" ]
[ 73, 79 ]
2
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
{ "a": 2.9136428833007812, "b": 2.9136428833007812, "c": 4.09865665435791, "alpha": 90, "beta": 90, "gamma": 90 }
123
TaAu
hard_negative
false
null
0
0.018173
-0.03465
true
[ "metallic" ]
null
mp-1218044
[ "Ru", "Ta" ]
[ 73, 73, 73, 73, 73, 73, 44, 44, 44, 44 ]
10
2
[ [ 0, 0, 0.8954088091850281 ], [ 0, 0, 0.10459116846323013 ], [ 0, 0, 0.3052437901496887 ], [ 0, 0, 0.5 ], [ 0, 0, 0.6947562098503113 ], [ 0.5, 0.5, 0 ], [ 0.5, 0.5, 0.20904934406280518 ], [ 0.5, 0...
{ "a": 3.202404022216797, "b": 3.202404022216797, "c": 15.827128410339355, "alpha": 90, "beta": 90, "gamma": 90 }
123
Ta3Ru2
hard_negative
false
null
0
0
-0.309936
true
[ "metallic" ]
null
mp-1218920
[ "Sn", "Sb" ]
[ 50, 51 ]
2
2
[ [ 0, 0, 0 ], [ 0, 0, 0.5 ] ]
{ "a": 3.099846363067627, "b": 3.099846363067627, "c": 6.062157154083252, "alpha": 90, "beta": 90, "gamma": 90 }
123
SnSb
hard_negative
false
null
0
0.109661
0.109661
true
[ "metallic" ]
null