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-1185165
[ "Ru", "La" ]
[ 57, 57, 57, 57, 57, 57, 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": 4.45166015625, "b": 4.45166015625, "c": 11.119950294494629, "alpha": 90, "beta": 90, "gamma": 90 }
139
La3Ru
hard_negative
false
null
0
0.369308
0.130613
true
[ "metallic" ]
null
mp-1185170
[ "La", "Lu" ]
[ 57, 57, 57, 57, 57, 57, 71, 71 ]
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": 5.175474643707275, "b": 5.175474643707275, "c": 10.458470344543457, "alpha": 90, "beta": 90, "gamma": 90 }
139
La3Lu
hard_negative
false
null
0
0.028703
0.028703
true
[ "metallic" ]
null
mp-1185172
[ "K", "Th" ]
[ 19, 19, 19, 19, 19, 19, 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": 5.626388072967529, "b": 5.626388072967529, "c": 13.307042121887207, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Th
hard_negative
false
null
0
0.955727
0.955727
true
[ "metallic" ]
null
mp-1185173
[ "K", "Ti" ]
[ 19, 19, 19, 19, 19, 19, 22, 22 ]
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": 5.977684020996094, "b": 5.977684020996094, "c": 11.583051681518555, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Ti
hard_negative
false
null
0
0.864235
0.864235
true
[ "metallic" ]
null
mp-1185180
[ "Li", "B" ]
[ 3, 3, 3, 3, 3, 3, 5, 5 ]
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": 3.9249520301818848, "b": 3.9249520301818848, "c": 5.879213809967041, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3B
hard_negative
true
6
0
0.45635
0.344006
true
[ "li", "metallic" ]
null
mp-1185188
[ "K", "Zr" ]
[ 19, 19, 19, 19, 19, 19, 40, 40 ]
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": 5.776648044586182, "b": 5.776648044586182, "c": 12.439840316772461, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Zr
hard_negative
false
null
0
0.978084
0.978084
true
[ "metallic" ]
null
mp-1185200
[ "Li", "Au" ]
[ 3, 3, 3, 3, 3, 3, 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": 4.0521039962768555, "b": 4.0521039962768555, "c": 7.60214376449585, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3Au
hard_negative
true
6
0
0.004172
-0.398891
true
[ "li", "metallic" ]
null
mp-1185204
[ "Li", "Ni" ]
[ 3, 3, 3, 3, 3, 3, 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": 3.8098199367523193, "b": 3.8098199367523193, "c": 7.575913906097412, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3Ni
hard_negative
true
6
0
0.093283
0.093283
true
[ "li", "metallic" ]
null
mp-1185211
[ "Y", "La" ]
[ 57, 57, 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": 5.223830699920654, "b": 5.223830699920654, "c": 10.102584838867188, "alpha": 90, "beta": 90, "gamma": 90 }
139
LaY3
hard_negative
false
null
0
0.083697
0.083697
true
[ "metallic" ]
null
mp-1185221
[ "K", "Eu" ]
[ 19, 19, 63, 63, 63, 63, 63, 63 ]
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": 5.837252140045166, "b": 5.837252140045166, "c": 12.098013877868652, "alpha": 90, "beta": 90, "gamma": 90 }
139
KEu3
hard_negative
false
null
0
0.205069
0.205069
true
[ "metallic" ]
null
mp-1185223
[ "La", "Tb" ]
[ 57, 57, 65, 65, 65, 65, 65, 65 ]
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": 5.135043144226074, "b": 5.135043144226074, "c": 10.1726713180542, "alpha": 90, "beta": 90, "gamma": 90 }
139
LaTb3
hard_negative
false
null
0
0.046481
0.046481
true
[ "metallic" ]
null
mp-1185252
[ "La", "Pu" ]
[ 57, 57, 94, 94, 94, 94, 94, 94 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 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 ] ]
{ "a": 4.908246040344238, "b": 4.908246040344238, "c": 9.859769821166992, "alpha": 90, "beta": 90, "gamma": 90 }
139
LaPu3
hard_negative
false
null
0
0.233581
0.233581
true
[ "metallic" ]
null
mp-1185253
[ "Li", "Tl" ]
[ 3, 3, 81, 81, 81, 81, 81, 81 ]
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": 4.65140962600708, "b": 4.65140962600708, "c": 9.660441398620605, "alpha": 90, "beta": 90, "gamma": 90 }
139
LiTl3
hard_negative
true
2
0
0.04667
-0.08113
true
[ "li", "metallic" ]
null
mp-1185257
[ "Li", "Y" ]
[ 3, 3, 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": 4.734379768371582, "b": 4.734379768371582, "c": 10.65328598022461, "alpha": 90, "beta": 90, "gamma": 90 }
139
LiY3
hard_negative
true
2
0
0.193429
0.193429
true
[ "li", "metallic" ]
null
mp-1185258
[ "Li", "Pu" ]
[ 3, 3, 3, 3, 3, 3, 94, 94 ]
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": 4.396153926849365, "b": 4.396153926849365, "c": 9.827898025512695, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3Pu
hard_negative
true
6
0
0.383055
0.383055
true
[ "li", "metallic" ]
null
mp-1185264
[ "La", "Eu" ]
[ 57, 57, 57, 57, 57, 57, 63, 63 ]
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": 5.313345909118652, "b": 5.313345909118652, "c": 10.730073928833008, "alpha": 90, "beta": 90, "gamma": 90 }
139
La3Eu
hard_negative
false
null
0
0.055729
0.055729
true
[ "metallic" ]
null
mp-1185266
[ "Li", "Ni" ]
[ 3, 3, 28, 28, 28, 28, 28, 28 ]
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": 3.492610454559326, "b": 3.492610454559326, "c": 6.879961967468262, "alpha": 90, "beta": 90, "gamma": 90 }
139
LiNi3
hard_negative
true
2
0
0.062328
0.062328
true
[ "li", "metallic" ]
null
mp-1185275
[ "Li", "Pb" ]
[ 3, 3, 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": 4.780308723449707, "b": 4.780308723449707, "c": 9.781192779541016, "alpha": 90, "beta": 90, "gamma": 90 }
139
LiPb3
hard_negative
true
2
0
0.020381
-0.115559
true
[ "li", "metallic" ]
null
mp-1185290
[ "Li", "W" ]
[ 3, 3, 3, 3, 3, 3, 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": 3.819593906402588, "b": 3.819593906402588, "c": 8.779576301574707, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3W
hard_negative
true
6
0
0.975248
0.975248
true
[ "li", "metallic" ]
null
mp-1185298
[ "K", "Ce" ]
[ 19, 19, 19, 19, 19, 19, 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": 5.980554103851318, "b": 5.980554103851318, "c": 13.368481636047363, "alpha": 90, "beta": 90, "gamma": 90 }
139
K3Ce
hard_negative
false
null
0
0.631776
0.631776
true
[ "metallic" ]
null
mp-1185332
[ "Li", "Ga" ]
[ 3, 3, 31, 31, 31, 31, 31, 31 ]
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": 3.9783992767333984, "b": 3.9783992767333984, "c": 8.144225120544434, "alpha": 90, "beta": 90, "gamma": 90 }
139
LiGa3
hard_negative
true
2
0
0.095829
-0.158397
true
[ "li", "metallic" ]
null
mp-1185336
[ "Li", "Ge" ]
[ 3, 3, 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": 4.081178188323975, "b": 4.081178188323975, "c": 8.701414108276367, "alpha": 90, "beta": 90, "gamma": 90 }
139
LiGe3
hard_negative
true
2
0
0.145975
0.005574
true
[ "li", "metallic" ]
null
mp-1185337
[ "Li", "Hg" ]
[ 3, 3, 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": 4.569243431091309, "b": 4.569243431091309, "c": 8.443347930908203, "alpha": 90, "beta": 90, "gamma": 90 }
139
LiHg3
hard_negative
true
2
0
0.012929
-0.187884
true
[ "li", "metallic" ]
null
mp-1185411
[ "Li", "Eu" ]
[ 3, 3, 63, 63, 63, 63, 63, 63 ]
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": 5.200292110443115, "b": 5.200292110443115, "c": 11.457836151123047, "alpha": 90, "beta": 90, "gamma": 90 }
139
LiEu3
hard_negative
true
2
0
0.096558
0.096558
true
[ "li", "metallic" ]
null
mp-1185431
[ "Li", "Si" ]
[ 3, 3, 14, 14, 14, 14, 14, 14 ]
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": 3.749298095703125, "b": 3.749298095703125, "c": 8.049901962280273, "alpha": 90, "beta": 90, "gamma": 90 }
139
LiSi3
hard_negative
true
2
0
0.323749
0.23659
true
[ "li", "metallic" ]
null
mp-1185455
[ "Li", "Rh" ]
[ 3, 3, 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": 3.777332067489624, "b": 3.777332067489624, "c": 7.678423881530762, "alpha": 90, "beta": 90, "gamma": 90 }
139
LiRh3
hard_negative
true
2
0
0.068323
-0.07861
true
[ "li", "metallic" ]
null
mp-1185461
[ "Li", "Sn" ]
[ 3, 3, 50, 50, 50, 50, 50, 50 ]
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": 4.550724506378174, "b": 4.550724506378174, "c": 9.487159729003906, "alpha": 90, "beta": 90, "gamma": 90 }
139
LiSn3
hard_negative
true
2
0
0.033759
-0.129175
true
[ "li", "metallic" ]
null
mp-1185469
[ "Li", "Yb" ]
[ 3, 3, 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": 4.724343299865723, "b": 4.724343299865723, "c": 10.02621078491211, "alpha": 90, "beta": 90, "gamma": 90 }
139
LiYb3
hard_negative
true
2
0
0.218128
0.218128
true
[ "li", "metallic" ]
null
mp-1185471
[ "Li", "Tb" ]
[ 3, 3, 65, 65, 65, 65, 65, 65 ]
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": 4.898324012756348, "b": 4.898324012756348, "c": 9.679047584533691, "alpha": 90, "beta": 90, "gamma": 90 }
139
LiTb3
hard_negative
true
2
0
0.182201
0.182201
true
[ "li", "metallic" ]
null
mp-1185519
[ "Ru", "Lu" ]
[ 71, 71, 44, 44, 44, 44, 44, 44 ]
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": 3.96683406829834, "b": 3.96683406829834, "c": 8.154208183288574, "alpha": 90, "beta": 90, "gamma": 90 }
139
LuRu3
hard_negative
false
null
0
0.358758
0.057154
true
[ "metallic" ]
null
mp-1185606
[ "La", "Ho" ]
[ 57, 57, 57, 57, 57, 57, 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": 5.216971397399902, "b": 5.216971397399902, "c": 10.490823745727539, "alpha": 90, "beta": 90, "gamma": 90 }
139
La3Ho
hard_negative
false
null
0
0.030853
0.030853
true
[ "metallic" ]
null
mp-1185608
[ "La", "Gd" ]
[ 57, 57, 64, 64, 64, 64, 64, 64 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 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 ] ]
{ "a": 5.088160514831543, "b": 5.088160514831543, "c": 10.539397239685059, "alpha": 90, "beta": 90, "gamma": 90 }
139
LaGd3
hard_negative
false
null
0
0.107608
0.107608
true
[ "metallic" ]
null
mp-1185611
[ "Lu", "Pu" ]
[ 71, 71, 71, 71, 71, 71, 94, 94 ]
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": 4.677128314971924, "b": 4.677128314971924, "c": 9.304537773132324, "alpha": 90, "beta": 90, "gamma": 90 }
139
Lu3Pu
hard_negative
false
null
0
0.705381
0.705381
true
[ "metallic" ]
null
mp-1185771
[ "Mg", "Pd" ]
[ 12, 12, 12, 12, 46, 46 ]
6
2
[ [ 0.5, 0.5, 0.14721660315990448 ], [ 0, 0, 0.3527833819389343 ], [ 0, 0, 0.6472166180610657 ], [ 0.5, 0.5, 0.8527833819389343 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.240051746368408, "b": 3.240051746368408, "c": 10.08022689819336, "alpha": 90, "beta": 90, "gamma": 90 }
139
Mg2Pd
hard_negative
false
null
0
0.006991
-0.504959
true
[ "metallic" ]
null
mp-1185792
[ "Mg", "Tl" ]
[ 12, 12, 12, 12, 12, 12, 81, 81 ]
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": 4.49606466293335, "b": 4.49606466293335, "c": 8.986957550048828, "alpha": 90, "beta": 90, "gamma": 90 }
139
Mg3Tl
hard_negative
false
null
0
0.023516
0.009535
true
[ "metallic" ]
null
mp-1185793
[ "Mg", "Tc" ]
[ 12, 12, 12, 12, 12, 12, 43, 43 ]
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": 4.089762210845947, "b": 4.089762210845947, "c": 8.503142356872559, "alpha": 90, "beta": 90, "gamma": 90 }
139
Mg3Tc
hard_negative
false
null
0
0.237342
0.237342
true
[ "metallic" ]
null
mp-1185795
[ "Mg", "Ru" ]
[ 12, 12, 12, 12, 12, 12, 44, 44 ]
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": 4.0650739669799805, "b": 4.0650739669799805, "c": 8.496049880981445, "alpha": 90, "beta": 90, "gamma": 90 }
139
Mg3Ru
hard_negative
false
null
0
0.114128
0.035897
true
[ "metallic" ]
null
mp-1185797
[ "Mg", "Te" ]
[ 12, 12, 12, 12, 12, 12, 52, 52 ]
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": 4.278719902038574, "b": 4.278719902038574, "c": 10.56497573852539, "alpha": 90, "beta": 90, "gamma": 90 }
139
Mg3Te
hard_negative
false
null
0
0.296568
-0.239217
true
[ "metallic" ]
null
mp-1185836
[ "Mg", "Ag" ]
[ 12, 12, 47, 47, 47, 47, 47, 47 ]
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": 4.099722385406494, "b": 4.099722385406494, "c": 8.3087797164917, "alpha": 90, "beta": 90, "gamma": 90 }
139
MgAg3
hard_negative
false
null
0
0.004002
-0.142501
true
[ "metallic" ]
null
mp-1185848
[ "Mg", "Au" ]
[ 12, 12, 79, 79, 79, 79, 79, 79 ]
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": 4.082076072692871, "b": 4.082076072692871, "c": 8.32019329071045, "alpha": 90, "beta": 90, "gamma": 90 }
139
MgAu3
hard_negative
false
null
0
0.011778
-0.388538
true
[ "metallic" ]
null
mp-1185856
[ "Mg", "Cu" ]
[ 12, 12, 29, 29, 29, 29, 29, 29 ]
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": 3.718059539794922, "b": 3.718059539794922, "c": 7.455655097961426, "alpha": 90, "beta": 90, "gamma": 90 }
139
MgCu3
hard_negative
false
null
0
0.069798
-0.023269
true
[ "metallic" ]
null
mp-1185862
[ "F", "Mg" ]
[ 12, 12, 9, 9, 9, 9, 9, 9 ]
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": 3.142307996749878, "b": 3.142307996749878, "c": 7.882698059082031, "alpha": 90, "beta": 90, "gamma": 90 }
139
MgF3
hard_negative
false
null
0
0.484992
-2.383039
true
[ "halide", "metallic" ]
null
mp-1185864
[ "Mg", "Ge" ]
[ 12, 12, 32, 32, 32, 32, 32, 32 ]
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": 4.183142185211182, "b": 4.183142185211182, "c": 8.944330215454102, "alpha": 90, "beta": 90, "gamma": 90 }
139
MgGe3
hard_negative
false
null
0
0.213683
0.084721
true
[ "metallic" ]
null
mp-1185866
[ "Mg", "Ga" ]
[ 12, 12, 31, 31, 31, 31, 31, 31 ]
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": 4.10219669342041, "b": 4.10219669342041, "c": 8.479913711547852, "alpha": 90, "beta": 90, "gamma": 90 }
139
MgGa3
hard_negative
false
null
0
0.035345
-0.065871
true
[ "metallic" ]
null
mp-1185879
[ "Mg", "Hg" ]
[ 12, 12, 80, 80, 80, 80, 80, 80 ]
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": 4.480018138885498, "b": 4.480018138885498, "c": 8.927838325500488, "alpha": 90, "beta": 90, "gamma": 90 }
139
MgHg3
hard_negative
false
null
0
0.047009
-0.051605
true
[ "metallic" ]
null
mp-1185904
[ "Mg", "Nb" ]
[ 12, 12, 41, 41, 41, 41, 41, 41 ]
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": 4.461989879608154, "b": 4.461989879608154, "c": 7.390254020690918, "alpha": 90, "beta": 90, "gamma": 90 }
139
MgNb3
hard_negative
false
null
0
0.279973
0.279973
true
[ "metallic" ]
null
mp-1185909
[ "Mg", "Ni" ]
[ 12, 12, 28, 28, 28, 28, 28, 28 ]
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": 3.664773941040039, "b": 3.664773941040039, "c": 7.233602046966553, "alpha": 90, "beta": 90, "gamma": 90 }
139
MgNi3
hard_negative
false
null
0
0.115869
-0.041993
true
[ "metallic" ]
null
mp-1185927
[ "Mg", "Pd" ]
[ 12, 12, 46, 46, 46, 46, 46, 46 ]
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": 3.97623348236084, "b": 3.97623348236084, "c": 7.736271381378174, "alpha": 90, "beta": 90, "gamma": 90 }
139
MgPd3
hard_negative
false
null
0
0.009281
-0.479337
true
[ "metallic" ]
null
mp-1185951
[ "Mn", "Br" ]
[ 25, 25, 25, 25, 25, 25, 35, 35 ]
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": 3.9417929649353027, "b": 3.9417929649353027, "c": 9.197320938110352, "alpha": 90, "beta": 90, "gamma": 90 }
139
Mn3Br
hard_negative
false
null
0
0.988199
0.549812
true
[ "halide", "metallic" ]
null
mp-1185969
[ "Mg", "Np" ]
[ 12, 12, 93, 93, 93, 93, 93, 93 ]
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": 4.383796215057373, "b": 4.383796215057373, "c": 8.566351890563965, "alpha": 90, "beta": 90, "gamma": 90 }
139
MgNp3
hard_negative
false
null
0
0.667894
0.667894
true
[ "metallic" ]
null
mp-1185983
[ "Mg", "Ta" ]
[ 12, 12, 73, 73, 73, 73, 73, 73 ]
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": 4.279751777648926, "b": 4.279751777648926, "c": 8.107029914855957, "alpha": 90, "beta": 90, "gamma": 90 }
139
MgTa3
hard_negative
false
null
0
0.32146
0.32146
true
[ "metallic" ]
null
mp-1185990
[ "Mg", "Tl" ]
[ 12, 12, 81, 81, 81, 81, 81, 81 ]
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": 4.650600433349609, "b": 4.650600433349609, "c": 10.061433792114258, "alpha": 90, "beta": 90, "gamma": 90 }
139
MgTl3
hard_negative
false
null
0
0.042815
0.034321
true
[ "metallic" ]
null
mp-1186009
[ "Mn", "Tl" ]
[ 25, 25, 81, 81, 81, 81, 81, 81 ]
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": 4.583312034606934, "b": 4.583312034606934, "c": 9.90063190460205, "alpha": 90, "beta": 90, "gamma": 90 }
139
MnTl3
hard_negative
false
null
0
0.390602
0.390602
true
[ "metallic" ]
null
mp-1186012
[ "Mn", "In" ]
[ 25, 25, 49, 49, 49, 49, 49, 49 ]
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": 4.339466094970703, "b": 4.339466094970703, "c": 9.488256454467773, "alpha": 90, "beta": 90, "gamma": 90 }
139
MnIn3
hard_negative
false
null
0
0.238397
0.238397
true
[ "metallic" ]
null
mp-1186025
[ "B", "Na" ]
[ 11, 11, 11, 11, 11, 11, 5, 5 ]
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": 4.558176040649414, "b": 4.558176040649414, "c": 8.409582138061523, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3B
hard_negative
false
null
0
0.859713
0.831017
true
[ "metallic" ]
null
mp-1186031
[ "Na", "Cd" ]
[ 11, 11, 11, 11, 11, 11, 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": 5.168991565704346, "b": 5.168991565704346, "c": 8.743453025817871, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Cd
hard_negative
false
null
0
0.004128
-0.013631
true
[ "metallic" ]
null
mp-1186034
[ "Na", "Ag" ]
[ 11, 11, 11, 11, 11, 11, 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": 4.9611687660217285, "b": 4.9611687660217285, "c": 8.595532417297363, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Ag
hard_negative
false
null
0
0.083527
0.054059
true
[ "metallic" ]
null
mp-1186036
[ "Na", "Cu" ]
[ 11, 11, 11, 11, 11, 11, 29, 29 ]
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": 4.860909938812256, "b": 4.860909938812256, "c": 8.578357696533203, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Cu
hard_negative
false
null
0
0.223885
0.223885
true
[ "metallic" ]
null
mp-1186041
[ "Mn", "Sn" ]
[ 25, 25, 50, 50, 50, 50, 50, 50 ]
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": 4.526492118835449, "b": 4.526492118835449, "c": 9.579398155212402, "alpha": 90, "beta": 90, "gamma": 90 }
139
MnSn3
hard_negative
false
null
0
0.266341
0.266341
true
[ "metallic" ]
null
mp-1186049
[ "Na", "Ir" ]
[ 11, 11, 11, 11, 11, 11, 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": 4.4698262214660645, "b": 4.4698262214660645, "c": 8.580907821655273, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Ir
hard_negative
false
null
0
0.529465
0.529465
true
[ "metallic" ]
null
mp-1186050
[ "Na", "Hg" ]
[ 11, 11, 11, 11, 11, 11, 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": 4.901730537414551, "b": 4.901730537414551, "c": 9.219809532165527, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Hg
hard_negative
false
null
0
0.021215
-0.130423
true
[ "metallic" ]
null
mp-1186052
[ "Na", "Mn" ]
[ 11, 11, 11, 11, 11, 11, 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": 4.767149925231934, "b": 4.767149925231934, "c": 10.2263822555542, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Mn
hard_negative
false
null
0
0.521118
0.521118
true
[ "metallic" ]
null
mp-1186053
[ "Na", "Nb" ]
[ 11, 11, 11, 11, 11, 11, 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": 4.7631120681762695, "b": 4.7631120681762695, "c": 10.375404357910156, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Nb
hard_negative
false
null
0
0.980759
0.980759
true
[ "metallic" ]
null
mp-1186059
[ "Na", "Mo" ]
[ 11, 11, 11, 11, 11, 11, 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": 4.796708106994629, "b": 4.796708106994629, "c": 10.078311920166016, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Mo
hard_negative
false
null
0
1.037157
1.037157
true
[ "metallic" ]
null
mp-1186066
[ "Na", "Ni" ]
[ 11, 11, 11, 11, 11, 11, 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": 4.631005764007568, "b": 4.631005764007568, "c": 8.89753246307373, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Ni
hard_negative
false
null
0
0.41955
0.41955
true
[ "metallic" ]
null
mp-1186067
[ "Na", "Pd" ]
[ 11, 11, 11, 11, 11, 11, 46, 46 ]
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": 4.750646114349365, "b": 4.750646114349365, "c": 8.40454387664795, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Pd
hard_negative
false
null
0
0.005685
0.005685
true
[ "metallic" ]
null
mp-1186070
[ "Na", "Pr" ]
[ 11, 11, 11, 11, 11, 11, 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": 5.095213890075684, "b": 5.095213890075684, "c": 11.055252075195312, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Pr
hard_negative
false
null
0
0.315254
0.315254
true
[ "metallic" ]
null
mp-1186072
[ "Na", "Rh" ]
[ 11, 11, 11, 11, 11, 11, 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": 4.587187767028809, "b": 4.587187767028809, "c": 8.567556381225586, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Rh
hard_negative
false
null
0
0.356793
0.356793
true
[ "metallic" ]
null
mp-1186076
[ "Na", "Ru" ]
[ 11, 11, 11, 11, 11, 11, 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": 4.4785661697387695, "b": 4.4785661697387695, "c": 9.15904426574707, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Ru
hard_negative
false
null
0
0.842064
0.842064
true
[ "metallic" ]
null
mp-1186083
[ "Na", "Sm" ]
[ 11, 11, 11, 11, 11, 11, 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": 4.985030174255371, "b": 4.985030174255371, "c": 11.0966796875, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Sm
hard_negative
false
null
0
0.347847
0.347847
true
[ "metallic" ]
null
mp-1186085
[ "Na", "Ta" ]
[ 11, 11, 11, 11, 11, 11, 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": 4.7270660400390625, "b": 4.7270660400390625, "c": 10.23735237121582, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Ta
hard_negative
false
null
0
1.241105
1.241105
true
[ "metallic" ]
null
mp-1186087
[ "Na", "Tc" ]
[ 11, 11, 11, 11, 11, 11, 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": 4.720635890960693, "b": 4.720635890960693, "c": 9.497331619262695, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Tc
hard_negative
false
null
0
0.99176
0.99176
true
[ "metallic" ]
null
mp-1186091
[ "Na", "Zn" ]
[ 11, 11, 11, 11, 11, 11, 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": 4.819101810455322, "b": 4.819101810455322, "c": 10.03231430053711, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Zn
hard_negative
false
null
0
0.090685
0.06888
true
[ "metallic" ]
null
mp-1186093
[ "Na", "W" ]
[ 11, 11, 11, 11, 11, 11, 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": 4.8881402015686035, "b": 4.8881402015686035, "c": 9.626376152038574, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3W
hard_negative
false
null
0
1.370425
1.370425
true
[ "metallic" ]
null
mp-1186109
[ "Na", "Au" ]
[ 11, 11, 79, 79, 79, 79, 79, 79 ]
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": 4.099966049194336, "b": 4.099966049194336, "c": 8.83460807800293, "alpha": 90, "beta": 90, "gamma": 90 }
139
NaAu3
hard_negative
false
null
0
0.091739
-0.212274
true
[ "metallic" ]
null
mp-1186127
[ "Na", "Cd" ]
[ 11, 11, 48, 48, 48, 48, 48, 48 ]
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": 4.929218292236328, "b": 4.929218292236328, "c": 7.278189659118652, "alpha": 90, "beta": 90, "gamma": 90 }
139
NaCd3
hard_negative
false
null
0
0
-0.044948
true
[ "metallic" ]
null
mp-1186130
[ "Ag", "Np" ]
[ 93, 93, 47, 47, 47, 47, 47, 47 ]
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": 4.520837783813477, "b": 4.520837783813477, "c": 8.527502059936523, "alpha": 90, "beta": 90, "gamma": 90 }
139
NpAg3
hard_negative
false
null
0
0.337992
0.337992
true
[ "metallic" ]
null
mp-1186132
[ "Na", "Ca" ]
[ 11, 11, 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": 5.426130294799805, "b": 5.426130294799805, "c": 11.47326946258545, "alpha": 90, "beta": 90, "gamma": 90 }
139
NaCa3
hard_negative
false
null
0
0.081488
0.081488
true
[ "metallic" ]
null
mp-1186150
[ "Na", "Ho" ]
[ 11, 11, 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": 4.846846103668213, "b": 4.846846103668213, "c": 10.646876335144043, "alpha": 90, "beta": 90, "gamma": 90 }
139
NaHo3
hard_negative
false
null
0
0.314332
0.314332
true
[ "metallic" ]
null
mp-1186151
[ "Li", "Na" ]
[ 11, 11, 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": 4.631665229797363, "b": 4.631665229797363, "c": 9.296316146850586, "alpha": 90, "beta": 90, "gamma": 90 }
139
NaLi3
hard_negative
true
6
0
0.043195
0.043195
true
[ "li", "metallic" ]
null
mp-1186156
[ "Hg", "Np" ]
[ 93, 93, 93, 93, 93, 93, 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": 4.537211894989014, "b": 4.537211894989014, "c": 9.434643745422363, "alpha": 90, "beta": 90, "gamma": 90 }
139
Np3Hg
hard_negative
false
null
0
0.549173
0.549173
true
[ "metallic" ]
null
mp-1186158
[ "Na", "In" ]
[ 11, 11, 49, 49, 49, 49, 49, 49 ]
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": 4.645568370819092, "b": 4.645568370819092, "c": 9.3801851272583, "alpha": 90, "beta": 90, "gamma": 90 }
139
NaIn3
hard_negative
false
null
0
0.009501
-0.146255
true
[ "metallic" ]
null
mp-1186163
[ "As", "Np" ]
[ 93, 93, 93, 93, 93, 93, 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": 4.271726131439209, "b": 4.271726131439209, "c": 8.37398624420166, "alpha": 90, "beta": 90, "gamma": 90 }
139
Np3As
hard_negative
false
null
0
0.322424
-0.335106
true
[ "metallic" ]
null
mp-1186165
[ "P", "Np" ]
[ 93, 93, 93, 93, 93, 93, 15, 15 ]
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": 4.193697929382324, "b": 4.193697929382324, "c": 8.128321647644043, "alpha": 90, "beta": 90, "gamma": 90 }
139
Np3P
hard_negative
false
null
0
0.242408
-0.472386
true
[ "metallic" ]
null
mp-1186172
[ "Na", "Eu" ]
[ 11, 11, 63, 63, 63, 63, 63, 63 ]
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": 5.467294216156006, "b": 5.467294216156006, "c": 11.877553939819336, "alpha": 90, "beta": 90, "gamma": 90 }
139
NaEu3
hard_negative
false
null
0
0.099303
0.099303
true
[ "metallic" ]
null
mp-1186176
[ "Na", "Sn" ]
[ 11, 11, 50, 50, 50, 50, 50, 50 ]
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": 4.662291049957275, "b": 4.662291049957275, "c": 9.666006088256836, "alpha": 90, "beta": 90, "gamma": 90 }
139
NaSn3
hard_negative
false
null
0
0.10751
-0.034178
true
[ "metallic" ]
null
mp-1186180
[ "Na", "Sc" ]
[ 11, 11, 21, 21, 21, 21, 21, 21 ]
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": 4.674530029296875, "b": 4.674530029296875, "c": 9.636664390563965, "alpha": 90, "beta": 90, "gamma": 90 }
139
NaSc3
hard_negative
false
null
0
0.382292
0.382292
true
[ "metallic" ]
null
mp-1186182
[ "Cd", "Np" ]
[ 93, 93, 93, 93, 93, 93, 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": 4.555049896240234, "b": 4.555049896240234, "c": 9.304141998291016, "alpha": 90, "beta": 90, "gamma": 90 }
139
Np3Cd
hard_negative
false
null
0
0.615704
0.615704
true
[ "metallic" ]
null
mp-1186189
[ "Na", "Tl" ]
[ 11, 11, 81, 81, 81, 81, 81, 81 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 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 ] ]
{ "a": 4.7682952880859375, "b": 4.7682952880859375, "c": 9.881808280944824, "alpha": 90, "beta": 90, "gamma": 90 }
139
NaTl3
hard_negative
false
null
0
0
-0.097258
true
[ "metallic" ]
null
mp-1186195
[ "Na", "Np" ]
[ 11, 11, 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": 4.664194107055664, "b": 4.664194107055664, "c": 8.647303581237793, "alpha": 90, "beta": 90, "gamma": 90 }
139
NaNp3
hard_negative
false
null
0
1.090683
1.090683
true
[ "metallic" ]
null
mp-1186202
[ "Na", "Y" ]
[ 11, 11, 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": 4.871240139007568, "b": 4.871240139007568, "c": 11.005827903747559, "alpha": 90, "beta": 90, "gamma": 90 }
139
NaY3
hard_negative
false
null
0
0.299119
0.299119
true
[ "metallic" ]
null
mp-1186217
[ "As", "Nb" ]
[ 41, 41, 33, 33, 33, 33, 33, 33 ]
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": 3.9792320728302, "b": 3.9792320728302, "c": 9.1354341506958, "alpha": 90, "beta": 90, "gamma": 90 }
139
NbAs3
hard_negative
false
null
0
0.566177
0.176859
true
[ "metallic" ]
null
mp-1186244
[ "Nd", "Pm" ]
[ 61, 61, 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": 5.217506408691406, "b": 5.217506408691406, "c": 10.363543510437012, "alpha": 90, "beta": 90, "gamma": 90 }
139
PmNd3
hard_negative
false
null
0
0.019321
0.019321
true
[ "metallic" ]
null
mp-1186250
[ "Mg", "Nd" ]
[ 60, 60, 60, 60, 12, 12 ]
6
2
[ [ 0.5, 0.5, 0.15506382286548615 ], [ 0, 0, 0.34493616223335266 ], [ 0, 0, 0.655063807964325 ], [ 0.5, 0.5, 0.844936192035675 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 3.8585493564605713, "b": 3.8585493564605713, "c": 12.801115036010742, "alpha": 90, "beta": 90, "gamma": 90 }
139
Nd2Mg
hard_negative
false
null
0
0.025336
-0.037188
true
[ "metallic" ]
null
mp-1186263
[ "Cd", "Nd" ]
[ 60, 60, 60, 60, 60, 60, 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": 4.88757848739624, "b": 4.88757848739624, "c": 10.18994140625, "alpha": 90, "beta": 90, "gamma": 90 }
139
Nd3Cd
hard_negative
false
null
0
0.059909
-0.090035
true
[ "metallic" ]
null
mp-1186270
[ "Nd", "Hf" ]
[ 60, 60, 60, 60, 60, 60, 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": 5.008481979370117, "b": 5.008481979370117, "c": 9.927884101867676, "alpha": 90, "beta": 90, "gamma": 90 }
139
Nd3Hf
hard_negative
false
null
0
0.200203
0.200203
true
[ "metallic" ]
null
mp-1186272
[ "Cu", "Nd" ]
[ 60, 60, 60, 60, 60, 60, 29, 29 ]
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": 4.674498081207275, "b": 4.674498081207275, "c": 10.050308227539062, "alpha": 90, "beta": 90, "gamma": 90 }
139
Nd3Cu
hard_negative
false
null
0
0.26132
0.169491
true
[ "metallic" ]
null
mp-1186273
[ "I", "Nd" ]
[ 60, 60, 60, 60, 60, 60, 53, 53 ]
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": 4.94130802154541, "b": 4.94130802154541, "c": 10.934537887573242, "alpha": 90, "beta": 90, "gamma": 90 }
139
Nd3I
hard_negative
false
null
0
0.359945
-0.224228
true
[ "halide", "metallic" ]
null
mp-1186280
[ "Ti", "Nd" ]
[ 60, 60, 60, 60, 60, 60, 22, 22 ]
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": 4.959961891174316, "b": 4.959961891174316, "c": 9.852771759033203, "alpha": 90, "beta": 90, "gamma": 90 }
139
Nd3Ti
hard_negative
false
null
0
0.258233
0.258233
true
[ "metallic" ]
null
mp-1186284
[ "Nd", "Pa" ]
[ 60, 60, 60, 60, 60, 60, 91, 91 ]
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": 4.999792098999023, "b": 4.999792098999023, "c": 10.181103706359863, "alpha": 90, "beta": 90, "gamma": 90 }
139
Nd3Pa
hard_negative
false
null
0
0.295365
0.295365
true
[ "metallic" ]
null