Datasets:
Allanatrix
/
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-1184405
[ "Eu", "Th" ]
[ 63, 63, 63, 63, 63, 63, 90, 90 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.35479211807251, "b": 5.35479211807251, "c": 10.789188385009766, "alpha": 90, "beta": 90, "gamma": 90 }
139
Eu3Th
hard_negative
false
null
0
0.219297
0.219297
true
[ "metallic" ]
null
mp-1184412
[ "Er", "Np" ]
[ 68, 68, 93, 93, 93, 93, 93, 93 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.521634101867676, "b": 4.521634101867676, "c": 9.074986457824707, "alpha": 90, "beta": 90, "gamma": 90 }
139
ErNp3
hard_negative
false
null
0
0.646017
0.646017
true
[ "metallic" ]
null
mp-1184414
[ "Eu", "Ta" ]
[ 63, 63, 63, 63, 63, 63, 73, 73 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0, 0, 0.5 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.010660171508789, "b": 5.010660171508789, "c": 9.587014198303223, "alpha": 90, "beta": 90, "gamma": 90 }
139
Eu3Ta
hard_negative
false
null
0
0.649769
0.649769
true
[ "metallic" ]
null
mp-1184425
[ "Ga", "Pb" ]
[ 31, 31, 31, 31, 31, 31, 82, 82 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0, 0, 0.5 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.182494163513184, "b": 5.182494163513184, "c": 6.802432060241699, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ga3Pb
hard_negative
false
null
0
0.091092
0.091092
true
[ "metallic" ]
null
mp-1184438
[ "Mo", "Eu" ]
[ 63, 63, 63, 63, 63, 63, 42, 42 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0, 0, 0.5 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.464241981506348, "b": 5.464241981506348, "c": 8.357489585876465, "alpha": 90, "beta": 90, "gamma": 90 }
139
Eu3Mo
hard_negative
false
null
0
0.689769
0.689769
true
[ "metallic" ]
null
mp-1184439
[ "Y", "Eu" ]
[ 63, 63, 39, 39, 39, 39, 39, 39 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.148762226104736, "b": 5.148762226104736, "c": 10.317110061645508, "alpha": 90, "beta": 90, "gamma": 90 }
139
EuY3
hard_negative
false
null
0
0.087723
0.087723
true
[ "metallic" ]
null
mp-1184440
[ "Eu", "Re" ]
[ 63, 63, 63, 63, 63, 63, 75, 75 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.984920024871826, "b": 4.984920024871826, "c": 8.793231964111328, "alpha": 90, "beta": 90, "gamma": 90 }
139
Eu3Re
hard_negative
false
null
0
0.584221
0.584221
true
[ "metallic" ]
null
mp-1184452
[ "Eu", "Ho" ]
[ 63, 63, 67, 67, 67, 67, 67, 67 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.871987819671631, "b": 4.871987819671631, "c": 9.792435646057129, "alpha": 90, "beta": 90, "gamma": 90 }
139
EuHo3
hard_negative
false
null
0
0.139104
0.139104
true
[ "metallic" ]
null
mp-1184457
[ "Eu", "W" ]
[ 63, 63, 63, 63, 63, 63, 74, 74 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.042290210723877, "b": 5.042290210723877, "c": 9.128273963928223, "alpha": 90, "beta": 90, "gamma": 90 }
139
Eu3W
hard_negative
false
null
0
0.74912
0.74912
true
[ "metallic" ]
null
mp-1184493
[ "Ag", "In" ]
[ 49, 49, 49, 49, 49, 49, 47, 47 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.503824234008789, "b": 4.503824234008789, "c": 9.62564754486084, "alpha": 90, "beta": 90, "gamma": 90 }
139
In3Ag
hard_negative
false
null
0
0.072991
0.035487
true
[ "metallic" ]
null
mp-1184498
[ "Gd", "Ho" ]
[ 64, 64, 64, 64, 64, 64, 67, 67 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.064891338348389, "b": 5.064891338348389, "c": 10.167933464050293, "alpha": 90, "beta": 90, "gamma": 90 }
139
Gd3Ho
hard_negative
false
null
0
0.103482
0.103482
true
[ "metallic" ]
null
mp-1184536
[ "Gd", "Bi" ]
[ 64, 64, 83, 83, 83, 83, 83, 83 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.685091972351074, "b": 4.685091972351074, "c": 10.83686637878418, "alpha": 90, "beta": 90, "gamma": 90 }
139
GdBi3
hard_negative
false
null
0
0.065237
-0.463965
true
[ "metallic" ]
null
mp-1184538
[ "Y", "Gd" ]
[ 64, 64, 39, 39, 39, 39, 39, 39 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.029535293579102, "b": 5.029535293579102, "c": 10.690374374389648, "alpha": 90, "beta": 90, "gamma": 90 }
139
GdY3
hard_negative
false
null
0
0.088702
0.088702
true
[ "metallic" ]
null
mp-1184608
[ "Pt", "Hg" ]
[ 80, 80, 80, 80, 80, 80, 78, 78 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.204366207122803, "b": 4.204366207122803, "c": 9.265064239501953, "alpha": 90, "beta": 90, "gamma": 90 }
139
Hg3Pt
hard_negative
false
null
0
0.268194
0.152822
true
[ "metallic" ]
null
mp-1184626
[ "Be", "Hf" ]
[ 72, 72, 72, 72, 72, 72, 4, 4 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.184000015258789, "b": 4.184000015258789, "c": 8.70609188079834, "alpha": 90, "beta": 90, "gamma": 90 }
139
Hf3Be
hard_negative
false
null
0
0.17302
0.104203
true
[ "metallic" ]
null
mp-1184632
[ "Hf", "Hg" ]
[ 72, 72, 72, 72, 72, 72, 80, 80 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.275839328765869, "b": 4.275839328765869, "c": 9.211664199829102, "alpha": 90, "beta": 90, "gamma": 90 }
139
Hf3Hg
hard_negative
false
null
0
0.076546
-0.044177
true
[ "metallic" ]
null
mp-1184633
[ "Sn", "Hf" ]
[ 72, 72, 72, 72, 72, 72, 50, 50 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.296721458435059, "b": 4.296721458435059, "c": 9.390647888183594, "alpha": 90, "beta": 90, "gamma": 90 }
139
Hf3Sn
hard_negative
false
null
0
0.011844
-0.272866
true
[ "metallic" ]
null
mp-1184646
[ "Ge", "Au" ]
[ 32, 32, 32, 32, 32, 32, 79, 79 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.164889812469482, "b": 4.164889812469482, "c": 9.039604187011719, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ge3Au
hard_negative
false
null
0
0.238464
0.238464
true
[ "metallic" ]
null
mp-1184650
[ "Ga", "Hf" ]
[ 72, 72, 72, 72, 72, 72, 31, 31 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.205986022949219, "b": 4.205986022949219, "c": 9.180782318115234, "alpha": 90, "beta": 90, "gamma": 90 }
139
Hf3Ga
hard_negative
false
null
0
0.073483
-0.27778
true
[ "metallic" ]
null
mp-1184656
[ "H", "Pd" ]
[ 1, 1, 46, 46, 46, 46, 46, 46 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 3.9332380294799805, "b": 3.9332380294799805, "c": 7.041118144989014, "alpha": 90, "beta": 90, "gamma": 90 }
139
HPd3
hard_negative
false
null
0
0.522342
0.477668
true
[ "metallic" ]
null
mp-1184658
[ "Pd", "Hg" ]
[ 80, 80, 46, 46, 46, 46, 46, 46 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.015781879425049, "b": 4.015781879425049, "c": 8.05734920501709, "alpha": 90, "beta": 90, "gamma": 90 }
139
HgPd3
hard_negative
false
null
0
0
-0.135616
true
[ "metallic" ]
null
mp-1184664
[ "Ge", "Hf" ]
[ 72, 72, 72, 72, 72, 72, 32, 32 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.187948226928711, "b": 4.187948226928711, "c": 9.276140213012695, "alpha": 90, "beta": 90, "gamma": 90 }
139
Hf3Ge
hard_negative
false
null
0
0.241361
-0.299428
true
[ "metallic" ]
null
mp-1184665
[ "O", "Ge" ]
[ 32, 32, 32, 32, 32, 32, 8, 8 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.684011936187744, "b": 3.684011936187744, "c": 9.757758140563965, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ge3O
hard_negative
false
null
0
0.890467
0.081721
true
[ "oxide", "metallic" ]
null
mp-1184671
[ "Ge", "Mo" ]
[ 32, 32, 32, 32, 32, 32, 42, 42 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.9885740280151367, "b": 3.9885740280151367, "c": 8.490632057189941, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ge3Mo
hard_negative
false
null
0
0.550928
0.437788
true
[ "metallic" ]
null
mp-1184679
[ "Hg", "Bi" ]
[ 80, 80, 83, 83, 83, 83, 83, 83 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.108426094055176, "b": 5.108426094055176, "c": 9.270088195800781, "alpha": 90, "beta": 90, "gamma": 90 }
139
HgBi3
hard_negative
false
null
0
0.10588
0.10588
true
[ "metallic" ]
null
mp-1184694
[ "Hf", "Bi" ]
[ 72, 72, 83, 83, 83, 83, 83, 83 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.630926132202148, "b": 4.630926132202148, "c": 10.530447959899902, "alpha": 90, "beta": 90, "gamma": 90 }
139
HfBi3
hard_negative
false
null
0
0.281371
0.168274
true
[ "metallic" ]
null
mp-1184695
[ "Ho", "Er" ]
[ 67, 67, 67, 67, 67, 67, 68, 68 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.984748840332031, "b": 4.984748840332031, "c": 9.953913688659668, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ho3Er
hard_negative
false
null
0
0.05638
0.05062
true
[ "metallic" ]
null
mp-1184704
[ "Cu", "Hf" ]
[ 72, 72, 29, 29, 29, 29, 29, 29 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.001175880432129, "b": 4.001175880432129, "c": 7.103878021240234, "alpha": 90, "beta": 90, "gamma": 90 }
139
HfCu3
hard_negative
false
null
0
0.072495
-0.089767
true
[ "metallic" ]
null
mp-1184710
[ "As", "Ho" ]
[ 67, 67, 67, 67, 67, 67, 33, 33 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.468677997589111, "b": 4.468677997589111, "c": 10.299041748046875, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ho3As
hard_negative
false
null
0
0.360216
-0.539094
true
[ "metallic" ]
null
mp-1184729
[ "Co", "Hf" ]
[ 72, 72, 72, 72, 72, 72, 27, 27 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.976762056350708, "b": 3.976762056350708, "c": 9.545220375061035, "alpha": 90, "beta": 90, "gamma": 90 }
139
Hf3Co
hard_negative
false
null
0
0.338799
0.121604
true
[ "metallic" ]
null
mp-1184743
[ "Gd", "Ho" ]
[ 64, 64, 67, 67, 67, 67, 67, 67 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.010125160217285, "b": 5.010125160217285, "c": 10.087471961975098, "alpha": 90, "beta": 90, "gamma": 90 }
139
GdHo3
hard_negative
false
null
0
0.06505
0.06505
true
[ "metallic" ]
null
mp-1184745
[ "Ho", "Bi" ]
[ 67, 67, 83, 83, 83, 83, 83, 83 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.67529821395874, "b": 4.67529821395874, "c": 11.020009994506836, "alpha": 90, "beta": 90, "gamma": 90 }
139
HoBi3
hard_negative
false
null
0
0.103482
-0.419158
true
[ "metallic" ]
null
mp-1184772
[ "Hf", "Pb" ]
[ 72, 72, 72, 72, 72, 72, 82, 82 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.327760696411133, "b": 4.327760696411133, "c": 9.499926567077637, "alpha": 90, "beta": 90, "gamma": 90 }
139
Hf3Pb
hard_negative
false
null
0
0
-0.071515
true
[ "metallic" ]
null
mp-1184781
[ "Ge", "In" ]
[ 49, 49, 32, 32, 32, 32, 32, 32 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.2680158615112305, "b": 4.2680158615112305, "c": 9.627464294433594, "alpha": 90, "beta": 90, "gamma": 90 }
139
InGe3
hard_negative
false
null
0
0.27797
0.27797
true
[ "metallic" ]
null
mp-1184782
[ "Ge", "Pb" ]
[ 32, 32, 82, 82, 82, 82, 82, 82 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.876719951629639, "b": 4.876719951629639, "c": 9.861200332641602, "alpha": 90, "beta": 90, "gamma": 90 }
139
GePb3
hard_negative
false
null
0
0.143421
0.143421
true
[ "metallic" ]
null
mp-1184783
[ "Se", "Ir" ]
[ 77, 77, 77, 77, 77, 77, 34, 34 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.029848098754883, "b": 4.029848098754883, "c": 7.57269811630249, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ir3Se
hard_negative
false
null
0
0.68244
0.523462
true
[ "metallic" ]
null
mp-1184784
[ "Pd", "Ir" ]
[ 77, 77, 46, 46, 46, 46, 46, 46 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 3.9389259815216064, "b": 3.9389259815216064, "c": 7.785699844360352, "alpha": 90, "beta": 90, "gamma": 90 }
139
IrPd3
hard_negative
false
null
0
0.127582
0.127582
true
[ "metallic" ]
null
mp-1184793
[ "Hf", "Np" ]
[ 72, 72, 93, 93, 93, 93, 93, 93 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.369157791137695, "b": 4.369157791137695, "c": 9.123373985290527, "alpha": 90, "beta": 90, "gamma": 90 }
139
HfNp3
hard_negative
false
null
0
0.535886
0.535886
true
[ "metallic" ]
null
mp-1184794
[ "Rh", "Ir" ]
[ 77, 77, 45, 45, 45, 45, 45, 45 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 3.8135557174682617, "b": 3.8135557174682617, "c": 7.638972759246826, "alpha": 90, "beta": 90, "gamma": 90 }
139
IrRh3
hard_negative
false
null
0
0
-0.019204
true
[ "metallic" ]
null
mp-1184797
[ "Ir", "Pb" ]
[ 77, 77, 77, 77, 77, 77, 82, 82 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.122429847717285, "b": 4.122429847717285, "c": 7.832268238067627, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ir3Pb
hard_negative
false
null
0
0.461117
0.461117
true
[ "metallic" ]
null
mp-1184801
[ "Gd", "U" ]
[ 64, 64, 92, 92, 92, 92, 92, 92 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0.5, 0, 0.75 ] ]
{ "a": 4.371580123901367, "b": 4.371580123901367, "c": 9.628485679626465, "alpha": 90, "beta": 90, "gamma": 90 }
139
GdU3
hard_negative
false
null
0
0.522556
0.522556
true
[ "metallic" ]
null
mp-1184857
[ "In", "Pt" ]
[ 49, 49, 49, 49, 49, 49, 78, 78 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.380092144012451, "b": 4.380092144012451, "c": 9.052289962768555, "alpha": 90, "beta": 90, "gamma": 90 }
139
In3Pt
hard_negative
false
null
0
0.339964
-0.113426
true
[ "metallic" ]
null
mp-1184875
[ "K", "Ir" ]
[ 19, 19, 19, 19, 19, 19, 77, 77 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.5004119873046875, "b": 5.5004119873046875, "c": 8.436309814453125, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Ir
hard_negative
false
null
0
0.722916
0.722916
true
[ "metallic" ]
null
mp-1184882
[ "Al", "K" ]
[ 19, 19, 19, 19, 19, 19, 13, 13 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.7991838455200195, "b": 5.7991838455200195, "c": 11.13127613067627, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Al
hard_negative
false
null
0
0.307603
0.307603
true
[ "metallic" ]
null
mp-1184897
[ "K", "Nb" ]
[ 19, 19, 19, 19, 19, 19, 41, 41 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.928125858306885, "b": 5.928125858306885, "c": 11.019082069396973, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Nb
hard_negative
false
null
0
1.13891
1.13891
true
[ "metallic" ]
null
mp-1184898
[ "K", "Ga" ]
[ 19, 19, 19, 19, 19, 19, 31, 31 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.767955780029297, "b": 5.767955780029297, "c": 11.29938793182373, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Ga
hard_negative
false
null
0
0.237455
0.179917
true
[ "metallic" ]
null
mp-1184900
[ "K", "Dy" ]
[ 19, 19, 19, 19, 19, 19, 66, 66 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.824923992156982, "b": 5.824923992156982, "c": 13.28983211517334, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Dy
hard_negative
false
null
0
0.588597
0.588597
true
[ "metallic" ]
null
mp-1184903
[ "K", "Nd" ]
[ 19, 19, 19, 19, 19, 19, 60, 60 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.8162522315979, "b": 5.8162522315979, "c": 13.439618110656738, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Nd
hard_negative
false
null
0
0.54587
0.54587
true
[ "metallic" ]
null
mp-1184904
[ "Ga", "In" ]
[ 49, 49, 49, 49, 49, 49, 31, 31 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.651392459869385, "b": 4.651392459869385, "c": 9.001204490661621, "alpha": 90, "beta": 90, "gamma": 90 }
139
In3Ga
hard_negative
false
null
0
0.065144
0.065144
true
[ "metallic" ]
null
mp-1184907
[ "K", "Cd" ]
[ 19, 19, 19, 19, 19, 19, 48, 48 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 6.446069717407227, "b": 6.446069717407227, "c": 9.476842880249023, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Cd
hard_negative
false
null
0
0.101463
0.066955
true
[ "metallic" ]
null
mp-1184908
[ "Ho", "U" ]
[ 67, 67, 92, 92, 92, 92, 92, 92 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.374080181121826, "b": 4.374080181121826, "c": 9.506028175354004, "alpha": 90, "beta": 90, "gamma": 90 }
139
HoU3
hard_negative
false
null
0
0.525822
0.525822
true
[ "metallic" ]
null
mp-1184910
[ "K", "Ba" ]
[ 19, 19, 19, 19, 19, 19, 56, 56 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 6.277013778686523, "b": 6.277013778686523, "c": 14.381770133972168, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Ba
hard_negative
false
null
0
0.144007
0.144007
true
[ "metallic" ]
null
mp-1184916
[ "K", "Mn" ]
[ 19, 19, 19, 19, 19, 19, 25, 25 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.932765960693359, "b": 5.932765960693359, "c": 11.204626083374023, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Mn
hard_negative
false
null
0
0.650733
0.650733
true
[ "metallic" ]
null
mp-1184918
[ "Li", "K" ]
[ 19, 19, 19, 19, 19, 19, 3, 3 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 6.10137414932251, "b": 6.10137414932251, "c": 12.474271774291992, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Li
hard_negative
true
2
0
0.122504
0.122504
true
[ "li", "metallic" ]
null
mp-1184923
[ "K", "Hf" ]
[ 19, 19, 19, 19, 19, 19, 72, 72 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.757781982421875, "b": 5.757781982421875, "c": 12.410967826843262, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Hf
hard_negative
false
null
0
1.142786
1.142786
true
[ "metallic" ]
null
mp-1184925
[ "K", "Cr" ]
[ 19, 19, 19, 19, 19, 19, 24, 24 ]
8
2
[ [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.25 ], [ 0, 0.5, 0.25 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0.75 ], [ 0.5, 0, 0.75 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 6.018630027770996, "b": 6.018630027770996, "c": 11.158665657043457, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Cr
hard_negative
false
null
0
0.673633
0.673633
true
[ "metallic" ]
null
mp-1184929
[ "Ni", "In" ]
[ 49, 49, 49, 49, 49, 49, 28, 28 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.309835910797119, "b": 4.309835910797119, "c": 9.067416191101074, "alpha": 90, "beta": 90, "gamma": 90 }
139
In3Ni
hard_negative
false
null
0
0.334486
0.195282
true
[ "metallic" ]
null
mp-1184931
[ "Ho", "Np" ]
[ 67, 67, 93, 93, 93, 93, 93, 93 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.561131954193115, "b": 4.561131954193115, "c": 9.172050476074219, "alpha": 90, "beta": 90, "gamma": 90 }
139
HoNp3
hard_negative
false
null
0
0.658142
0.658142
true
[ "metallic" ]
null
mp-1184938
[ "H", "K" ]
[ 19, 19, 1, 1, 1, 1, 1, 1 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.148250102996826, "b": 4.148250102996826, "c": 6.313169956207275, "alpha": 90, "beta": 90, "gamma": 90 }
139
KH3
hard_negative
false
null
0
1.104807
0.960021
true
[ "metallic" ]
null
mp-1185026
[ "Li", "K" ]
[ 19, 19, 3, 3, 3, 3, 3, 3 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.897925853729248, "b": 4.897925853729248, "c": 10.531696319580078, "alpha": 90, "beta": 90, "gamma": 90 }
139
KLi3
hard_negative
true
6
0
0.178433
0.178433
true
[ "li", "metallic" ]
null
mp-1185042
[ "K", "Hg" ]
[ 19, 19, 80, 80, 80, 80, 80, 80 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.0995306968688965, "b": 5.0995306968688965, "c": 9.14133358001709, "alpha": 90, "beta": 90, "gamma": 90 }
139
KHg3
hard_negative
false
null
0
0.030033
-0.222368
true
[ "metallic" ]
null
mp-1185047
[ "Mg", "K" ]
[ 19, 19, 12, 12, 12, 12, 12, 12 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0, 0, 0.5 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ] ]
{ "a": 5.302080154418945, "b": 5.302080154418945, "c": 8.497491836547852, "alpha": 90, "beta": 90, "gamma": 90 }
139
KMg3
hard_negative
false
null
0
0.235045
0.235045
true
[ "metallic" ]
null
mp-1185059
[ "K", "Ru" ]
[ 19, 19, 19, 19, 19, 19, 44, 44 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.906191825866699, "b": 5.906191825866699, "c": 8.866997718811035, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Ru
hard_negative
false
null
0
1.050007
1.050007
true
[ "metallic" ]
null
mp-1185063
[ "K", "Pm" ]
[ 19, 19, 61, 61, 61, 61, 61, 61 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.26516580581665, "b": 5.26516580581665, "c": 10.996662139892578, "alpha": 90, "beta": 90, "gamma": 90 }
139
KPm3
hard_negative
false
null
0
0.468592
0.468592
true
[ "metallic" ]
null
mp-1185066
[ "La", "Hg" ]
[ 57, 57, 57, 57, 57, 57, 80, 80 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.9117512702941895, "b": 4.9117512702941895, "c": 10.378507614135742, "alpha": 90, "beta": 90, "gamma": 90 }
139
La3Hg
hard_negative
false
null
0
0.050117
-0.239516
true
[ "metallic" ]
null
mp-1185067
[ "K", "Co" ]
[ 19, 19, 19, 19, 19, 19, 27, 27 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.909267902374268, "b": 5.909267902374268, "c": 10.652336120605469, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Co
hard_negative
false
null
0
0.814397
0.814397
true
[ "metallic" ]
null
mp-1185070
[ "K", "Ca" ]
[ 19, 19, 20, 20, 20, 20, 20, 20 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.70249605178833, "b": 5.70249605178833, "c": 11.659954071044922, "alpha": 90, "beta": 90, "gamma": 90 }
139
KCa3
hard_negative
false
null
0
0.167679
0.167679
true
[ "metallic" ]
null
mp-1185075
[ "K", "Ta" ]
[ 19, 19, 19, 19, 19, 19, 73, 73 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.8141679763793945, "b": 5.8141679763793945, "c": 10.962125778198242, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Ta
hard_negative
false
null
0
1.408761
1.408761
true
[ "metallic" ]
null
mp-1185077
[ "K", "Tc" ]
[ 19, 19, 19, 19, 19, 19, 43, 43 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.759416103363037, "b": 5.759416103363037, "c": 10.89907169342041, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Tc
hard_negative
false
null
0
1.20714
1.20714
true
[ "metallic" ]
null
mp-1185082
[ "K", "Yb" ]
[ 19, 19, 70, 70, 70, 70, 70, 70 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.161088466644287, "b": 5.161088466644287, "c": 10.317902565002441, "alpha": 90, "beta": 90, "gamma": 90 }
139
KYb3
hard_negative
false
null
0
0.584595
0.584595
true
[ "metallic" ]
null
mp-1185085
[ "Zn", "La" ]
[ 57, 57, 57, 57, 57, 57, 30, 30 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.875229835510254, "b": 4.875229835510254, "c": 10.177448272705078, "alpha": 90, "beta": 90, "gamma": 90 }
139
La3Zn
hard_negative
false
null
0
0.09692
-0.065753
true
[ "metallic" ]
null
mp-1185087
[ "K", "W" ]
[ 19, 19, 19, 19, 19, 19, 74, 74 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.90500020980835, "b": 5.90500020980835, "c": 10.718274116516113, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3W
hard_negative
false
null
0
1.504486
1.504486
true
[ "metallic" ]
null
mp-1185088
[ "K", "Sm" ]
[ 19, 19, 62, 62, 62, 62, 62, 62 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.282154083251953, "b": 5.282154083251953, "c": 10.925246238708496, "alpha": 90, "beta": 90, "gamma": 90 }
139
KSm3
hard_negative
false
null
0
0.481701
0.481701
true
[ "metallic" ]
null
mp-1185093
[ "K", "Os" ]
[ 19, 19, 19, 19, 19, 19, 76, 76 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0, 0, 0.5 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.966084003448486, "b": 5.966084003448486, "c": 7.997739791870117, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Os
hard_negative
false
null
0
1.347619
1.347619
true
[ "metallic" ]
null
mp-1185096
[ "Sc", "La" ]
[ 57, 57, 57, 57, 57, 57, 21, 21 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.07181453704834, "b": 5.07181453704834, "c": 10.424264907836914, "alpha": 90, "beta": 90, "gamma": 90 }
139
La3Sc
hard_negative
false
null
0
0.053742
0.053742
true
[ "metallic" ]
null
mp-1185097
[ "K", "Zn" ]
[ 19, 19, 19, 19, 19, 19, 30, 30 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 6.02627420425415, "b": 6.02627420425415, "c": 11.639776229858398, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Zn
hard_negative
false
null
0
0.180326
0.154639
true
[ "metallic" ]
null
mp-1185103
[ "La", "Tl" ]
[ 57, 57, 57, 57, 57, 57, 81, 81 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.979863166809082, "b": 4.979863166809082, "c": 10.50964069366455, "alpha": 90, "beta": 90, "gamma": 90 }
139
La3Tl
hard_negative
false
null
0
0.019635
-0.218454
true
[ "metallic" ]
null
mp-1185109
[ "La", "Ta" ]
[ 57, 57, 57, 57, 57, 57, 73, 73 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.903515815734863, "b": 4.903515815734863, "c": 9.800623893737793, "alpha": 90, "beta": 90, "gamma": 90 }
139
La3Ta
hard_negative
false
null
0
0.428314
0.428314
true
[ "metallic" ]
null
mp-1185110
[ "K", "Rh" ]
[ 19, 19, 19, 19, 19, 19, 45, 45 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.7111101150512695, "b": 5.7111101150512695, "c": 8.546916007995605, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Rh
hard_negative
false
null
0
0.574015
0.574015
true
[ "metallic" ]
null
mp-1185111
[ "K", "Pr" ]
[ 19, 19, 19, 19, 19, 19, 59, 59 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.826022148132324, "b": 5.826022148132324, "c": 13.532622337341309, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Pr
hard_negative
false
null
0
0.532271
0.532271
true
[ "metallic" ]
null
mp-1185112
[ "La", "Pm" ]
[ 57, 57, 57, 57, 57, 57, 61, 61 ]
8
2
[ [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0, 0, 0.5 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.280945777893066, "b": 5.280945777893066, "c": 10.510247230529785, "alpha": 90, "beta": 90, "gamma": 90 }
139
La3Pm
hard_negative
false
null
0
0.023894
0.023894
true
[ "metallic" ]
null
mp-1185114
[ "K", "Re" ]
[ 19, 19, 19, 19, 19, 19, 75, 75 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.712808132171631, "b": 5.712808132171631, "c": 10.451166152954102, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Re
hard_negative
false
null
0
1.501892
1.501892
true
[ "metallic" ]
null
mp-1185116
[ "Cl", "La" ]
[ 57, 57, 57, 57, 57, 57, 17, 17 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0, 0, 0.5 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.806660175323486, "b": 4.806660175323486, "c": 10.91051197052002, "alpha": 90, "beta": 90, "gamma": 90 }
139
La3Cl
hard_negative
false
null
0
0.580272
-0.321657
true
[ "halide", "metallic" ]
null
mp-1185117
[ "Nb", "La" ]
[ 57, 57, 57, 57, 57, 57, 41, 41 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.939685821533203, "b": 4.939685821533203, "c": 9.6068696975708, "alpha": 90, "beta": 90, "gamma": 90 }
139
La3Nb
hard_negative
false
null
0
0.354103
0.354103
true
[ "metallic" ]
null
mp-1185118
[ "La", "Yb" ]
[ 57, 57, 57, 57, 57, 57, 70, 70 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.191127300262451, "b": 5.191127300262451, "c": 10.455794334411621, "alpha": 90, "beta": 90, "gamma": 90 }
139
La3Yb
hard_negative
false
null
0
0.025685
0.025685
true
[ "metallic" ]
null
mp-1185119
[ "K", "Rb" ]
[ 19, 19, 19, 19, 19, 19, 37, 37 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 6.909011363983154, "b": 6.909011363983154, "c": 13.710287094116211, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Rb
hard_negative
false
null
0
0.037877
0.037877
true
[ "metallic" ]
null
mp-1185120
[ "K", "Tl" ]
[ 19, 19, 19, 19, 19, 19, 81, 81 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.9102959632873535, "b": 5.9102959632873535, "c": 11.649344444274902, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Tl
hard_negative
false
null
0
0.087496
0.034306
true
[ "metallic" ]
null
mp-1185123
[ "K", "Tb" ]
[ 19, 19, 19, 19, 19, 19, 65, 65 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.810751914978027, "b": 5.810751914978027, "c": 13.343700408935547, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Tb
hard_negative
false
null
0
0.586192
0.586192
true
[ "metallic" ]
null
mp-1185124
[ "La", "Nd" ]
[ 57, 57, 60, 60, 60, 60, 60, 60 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.259530067443848, "b": 5.259530067443848, "c": 10.424690246582031, "alpha": 90, "beta": 90, "gamma": 90 }
139
LaNd3
hard_negative
false
null
0
0.022647
0.022647
true
[ "metallic" ]
null
mp-1185132
[ "La", "Pr" ]
[ 57, 57, 59, 59, 59, 59, 59, 59 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.291461944580078, "b": 5.291461944580078, "c": 10.513751029968262, "alpha": 90, "beta": 90, "gamma": 90 }
139
LaPr3
hard_negative
false
null
0
0.030665
0.030665
true
[ "metallic" ]
null
mp-1185133
[ "La", "Pm" ]
[ 57, 57, 61, 61, 61, 61, 61, 61 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 5.2308855056762695, "b": 5.2308855056762695, "c": 10.35314655303955, "alpha": 90, "beta": 90, "gamma": 90 }
139
LaPm3
hard_negative
false
null
0
0.026786
0.026786
true
[ "metallic" ]
null
mp-1185139
[ "K", "V" ]
[ 19, 19, 19, 19, 19, 19, 23, 23 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.8615617752075195, "b": 5.8615617752075195, "c": 11.351003646850586, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3V
hard_negative
false
null
0
0.882094
0.882094
true
[ "metallic" ]
null
mp-1185147
[ "La", "Sm" ]
[ 57, 57, 57, 57, 57, 57, 62, 62 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.279080390930176, "b": 5.279080390930176, "c": 10.483132362365723, "alpha": 90, "beta": 90, "gamma": 90 }
139
La3Sm
hard_negative
false
null
0
0.025317
0.025317
true
[ "metallic" ]
null
mp-1185148
[ "Cl", "K" ]
[ 19, 19, 17, 17, 17, 17, 17, 17 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.094655990600586, "b": 4.094655990600586, "c": 14.17392635345459, "alpha": 90, "beta": 90, "gamma": 90 }
139
KCl3
hard_negative
false
null
0
0.05183
-1.0358
true
[ "halide", "metallic" ]
null
mp-1185150
[ "La", "Nd" ]
[ 57, 57, 57, 57, 57, 57, 60, 60 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.297113418579102, "b": 5.297113418579102, "c": 10.498144149780273, "alpha": 90, "beta": 90, "gamma": 90 }
139
La3Nd
hard_negative
false
null
0
0.021278
0.021278
true
[ "metallic" ]
null
mp-1185152
[ "La", "Tb" ]
[ 57, 57, 57, 57, 57, 57, 65, 65 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.24819803237915, "b": 5.24819803237915, "c": 10.46517276763916, "alpha": 90, "beta": 90, "gamma": 90 }
139
La3Tb
hard_negative
false
null
0
0.0284
0.0284
true
[ "metallic" ]
null
mp-1185154
[ "La", "Ce" ]
[ 57, 57, 57, 57, 57, 57, 58, 58 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.055642127990723, "b": 5.055642127990723, "c": 10.485546112060547, "alpha": 90, "beta": 90, "gamma": 90 }
139
La3Ce
hard_negative
false
null
0
0.078846
0.078846
true
[ "metallic" ]
null
mp-1185156
[ "La", "Ce" ]
[ 57, 57, 58, 58, 58, 58, 58, 58 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.79192590713501, "b": 4.79192590713501, "c": 9.685724258422852, "alpha": 90, "beta": 90, "gamma": 90 }
139
LaCe3
hard_negative
false
null
0
0.06555
0.06555
true
[ "metallic" ]
null
mp-1185157
[ "K", "Pm" ]
[ 19, 19, 19, 19, 19, 19, 61, 61 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.802020072937012, "b": 5.802020072937012, "c": 13.440449714660645, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Pm
hard_negative
false
null
0
0.557608
0.557608
true
[ "metallic" ]
null
mp-1185160
[ "La", "Tm" ]
[ 57, 57, 57, 57, 57, 57, 69, 69 ]
8
2
[ [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.1941351890563965, "b": 5.1941351890563965, "c": 10.4803466796875, "alpha": 90, "beta": 90, "gamma": 90 }
139
La3Tm
hard_negative
false
null
0
0.031001
0.031001
true
[ "metallic" ]
null