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-974467
[ "Cl", "Ru" ]
[ 44, 44, 44, 44, 44, 44, 17, 17 ]
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": 4.193419933319092, "b": 4.193419933319092, "c": 6.659979820251465, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ru3Cl
hard_negative
false
null
0
1.142507
0.807465
true
[ "halide", "metallic" ]
null
mp-974584
[ "Re", "Au" ]
[ 75, 75, 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": 4.208901882171631, "b": 4.208901882171631, "c": 7.739957809448242, "alpha": 90, "beta": 90, "gamma": 90 }
139
ReAu3
hard_negative
false
null
0
0.655107
0.655107
true
[ "metallic" ]
null
mp-974613
[ "P", "Nd" ]
[ 60, 60, 15, 15, 15, 15, 15, 15 ]
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": 4.000179767608643, "b": 4.000179767608643, "c": 9.640146255493164, "alpha": 90, "beta": 90, "gamma": 90 }
139
NdP3
hard_negative
false
null
0
0.505286
-0.421956
true
[ "metallic" ]
null
mp-974616
[ "Rh", "Pt" ]
[ 78, 78, 78, 78, 78, 78, 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": 3.91198992729187, "b": 3.91198992729187, "c": 7.856931686401367, "alpha": 90, "beta": 90, "gamma": 90 }
139
Pt3Rh
hard_negative
false
null
0
0
-0.034819
true
[ "metallic" ]
null
mp-974738
[ "K", "Sr" ]
[ 19, 19, 38, 38, 38, 38, 38, 38 ]
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": 6.06018590927124, "b": 6.06018590927124, "c": 12.691340446472168, "alpha": 90, "beta": 90, "gamma": 90 }
139
KSr3
hard_negative
false
null
0
0.09926
0.09926
true
[ "metallic" ]
null
mp-974745
[ "Rb", "Tm" ]
[ 37, 37, 37, 37, 37, 37, 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": 6.28911018371582, "b": 6.28911018371582, "c": 13.218992233276367, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Tm
hard_negative
false
null
0
0.635208
0.635208
true
[ "metallic" ]
null
mp-974751
[ "Zn", "Rb" ]
[ 37, 37, 37, 37, 37, 37, 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": 6.279376029968262, "b": 6.279376029968262, "c": 12.635069847106934, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Zn
hard_negative
false
null
0
0.20174
0.1888
true
[ "metallic" ]
null
mp-974758
[ "Rb", "Tl" ]
[ 37, 37, 37, 37, 37, 37, 81, 81 ]
8
2
[ [ 0.5, 0, 0.25 ], [ 0, 0.5, 0.25 ], [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.75 ], [ 0.5, 0, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 6.211174011230469, "b": 6.211174011230469, "c": 12.611556053161621, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Tl
hard_negative
false
null
0
0.115327
0.063288
true
[ "metallic" ]
null
mp-974774
[ "Rb", "Tc" ]
[ 37, 37, 37, 37, 37, 37, 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": 6.164869785308838, "b": 6.164869785308838, "c": 11.239294052124023, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Tc
hard_negative
false
null
0
1.241443
1.241443
true
[ "metallic" ]
null
mp-974795
[ "Ti", "Rb" ]
[ 37, 37, 37, 37, 37, 37, 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": 6.402684211730957, "b": 6.402684211730957, "c": 12.197400093078613, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Ti
hard_negative
false
null
0
0.900219
0.900219
true
[ "metallic" ]
null
mp-974846
[ "Rb", "Os" ]
[ 37, 37, 37, 37, 37, 37, 76, 76 ]
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": 6.028225898742676, "b": 6.028225898742676, "c": 9.381245613098145, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Os
hard_negative
false
null
0
1.412115
1.412115
true
[ "metallic" ]
null
mp-974856
[ "Rb", "Re" ]
[ 37, 37, 37, 37, 37, 37, 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": 6.043166160583496, "b": 6.043166160583496, "c": 11.143877983093262, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Re
hard_negative
false
null
0
1.557705
1.557705
true
[ "metallic" ]
null
mp-974862
[ "Na", "Rb" ]
[ 37, 37, 37, 37, 37, 37, 11, 11 ]
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": 6.782483100891113, "b": 6.782483100891113, "c": 13.421342849731445, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Na
hard_negative
false
null
0
0.056405
0.056405
true
[ "metallic" ]
null
mp-974869
[ "Rb", "Nb" ]
[ 37, 37, 37, 37, 37, 37, 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": 6.285451889038086, "b": 6.285451889038086, "c": 11.344965934753418, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Nb
hard_negative
false
null
0
1.181302
1.181302
true
[ "metallic" ]
null
mp-974882
[ "Rb", "Mo" ]
[ 37, 37, 37, 37, 37, 37, 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": 6.429214000701904, "b": 6.429214000701904, "c": 11.436216354370117, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Mo
hard_negative
false
null
0
1.212482
1.212482
true
[ "metallic" ]
null
mp-974925
[ "Y", "Nd" ]
[ 60, 60, 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": 5.144991397857666, "b": 5.144991397857666, "c": 10.194336891174316, "alpha": 90, "beta": 90, "gamma": 90 }
139
NdY3
hard_negative
false
null
0
0.073709
0.073709
true
[ "metallic" ]
null
mp-974940
[ "Mg", "Rb" ]
[ 37, 37, 37, 37, 37, 37, 12, 12 ]
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": 6.45453405380249, "b": 6.45453405380249, "c": 12.375147819519043, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Mg
hard_negative
false
null
0
0.195889
0.195889
true
[ "metallic" ]
null
mp-974959
[ "Li", "Rb" ]
[ 37, 37, 37, 37, 37, 37, 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": 6.566564083099365, "b": 6.566564083099365, "c": 12.92125415802002, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Li
hard_negative
true
2
0
0.147674
0.147674
true
[ "li", "metallic" ]
null
mp-974966
[ "Rb", "Lu" ]
[ 37, 37, 37, 37, 37, 37, 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": 6.35687780380249, "b": 6.35687780380249, "c": 13.108712196350098, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Lu
hard_negative
false
null
0
0.623896
0.623896
true
[ "metallic" ]
null
mp-974970
[ "Mn", "Rb" ]
[ 37, 37, 37, 37, 37, 37, 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": 6.40876579284668, "b": 6.40876579284668, "c": 11.949633598327637, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Mn
hard_negative
false
null
0
0.689117
0.689117
true
[ "metallic" ]
null
mp-974972
[ "Rb", "Hf" ]
[ 37, 37, 37, 37, 37, 37, 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": 6.206089973449707, "b": 6.206089973449707, "c": 12.205692291259766, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Hf
hard_negative
false
null
0
1.210186
1.210186
true
[ "metallic" ]
null
mp-974982
[ "Rb", "In" ]
[ 37, 37, 37, 37, 37, 37, 49, 49 ]
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": 6.319176197052002, "b": 6.319176197052002, "c": 11.757060050964355, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3In
hard_negative
false
null
0
0.160121
0.102853
true
[ "metallic" ]
null
mp-974997
[ "Ge", "Rb" ]
[ 37, 37, 37, 37, 37, 37, 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": 6.255690097808838, "b": 6.255690097808838, "c": 9.66037368774414, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Ge
hard_negative
false
null
0
0.292738
0.196879
true
[ "metallic" ]
null
mp-975015
[ "Ga", "Rb" ]
[ 37, 37, 37, 37, 37, 37, 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": 6.268653869628906, "b": 6.268653869628906, "c": 11.271989822387695, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Ga
hard_negative
false
null
0
0.27169
0.215421
true
[ "metallic" ]
null
mp-975043
[ "Ca", "Rb" ]
[ 37, 37, 37, 37, 37, 37, 20, 20 ]
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": 6.596012115478516, "b": 6.596012115478516, "c": 13.591513633728027, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Ca
hard_negative
false
null
0
0.200656
0.200656
true
[ "metallic" ]
null
mp-975053
[ "Rb", "Ba" ]
[ 37, 37, 37, 37, 37, 37, 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": 6.742918014526367, "b": 6.742918014526367, "c": 14.742695808410645, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Ba
hard_negative
false
null
0
0.150171
0.150171
true
[ "metallic" ]
null
mp-975055
[ "Rb", "Ac" ]
[ 37, 37, 37, 37, 37, 37, 89, 89 ]
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": 6.342006206512451, "b": 6.342006206512451, "c": 14.261263847351074, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Ac
hard_negative
false
null
0
0.483285
0.483285
true
[ "metallic" ]
null
mp-975056
[ "Al", "Rb" ]
[ 37, 37, 37, 37, 37, 37, 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": 6.235367774963379, "b": 6.235367774963379, "c": 11.326095581054688, "alpha": 90, "beta": 90, "gamma": 90 }
139
Rb3Al
hard_negative
false
null
0
0.359604
0.359604
true
[ "metallic" ]
null
mp-975222
[ "Rb", "Sr" ]
[ 37, 37, 38, 38, 38, 38, 38, 38 ]
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": 6.181297779083252, "b": 6.181297779083252, "c": 12.752010345458984, "alpha": 90, "beta": 90, "gamma": 90 }
139
RbSr3
hard_negative
false
null
0
0.138917
0.138917
true
[ "metallic" ]
null
mp-975253
[ "Rb", "Pr" ]
[ 37, 37, 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": 5.430674076080322, "b": 5.430674076080322, "c": 11.058560371398926, "alpha": 90, "beta": 90, "gamma": 90 }
139
RbPr3
hard_negative
false
null
0
0.513183
0.513183
true
[ "metallic" ]
null
mp-975298
[ "Na", "Rb" ]
[ 37, 37, 11, 11, 11, 11, 11, 11 ]
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": 6.044174671173096, "b": 6.044174671173096, "c": 10.818145751953125, "alpha": 90, "beta": 90, "gamma": 90 }
139
RbNa3
hard_negative
false
null
0
0.071128
0.071128
true
[ "metallic" ]
null
mp-975337
[ "F", "Rb" ]
[ 37, 37, 9, 9, 9, 9, 9, 9 ]
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": 4.066726207733154, "b": 4.066726207733154, "c": 8.688061714172363, "alpha": 90, "beta": 90, "gamma": 90 }
139
RbF3
hard_negative
false
null
0
0.35774
-1.456021
true
[ "halide", "metallic" ]
null
mp-975404
[ "Ca", "Rb" ]
[ 37, 37, 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": 5.82902193069458, "b": 5.82902193069458, "c": 11.685811996459961, "alpha": 90, "beta": 90, "gamma": 90 }
139
RbCa3
hard_negative
false
null
0
0.21135
0.21135
true
[ "metallic" ]
null
mp-975411
[ "Br", "Rb" ]
[ 37, 37, 35, 35, 35, 35, 35, 35 ]
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": 4.517134189605713, "b": 4.517134189605713, "c": 12.874008178710938, "alpha": 90, "beta": 90, "gamma": 90 }
139
RbBr3
hard_negative
false
null
0
0
-1.014657
true
[ "halide", "metallic" ]
null
mp-975452
[ "Rh", "Hg" ]
[ 80, 80, 80, 80, 80, 80, 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": 4.160600185394287, "b": 4.160600185394287, "c": 9.186039924621582, "alpha": 90, "beta": 90, "gamma": 90 }
139
Hg3Rh
hard_negative
false
null
0
0.207168
0.194708
true
[ "metallic" ]
null
mp-975461
[ "Sb", "Hg" ]
[ 80, 80, 80, 80, 80, 80, 51, 51 ]
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": 4.402088165283203, "b": 4.402088165283203, "c": 10.833694458007812, "alpha": 90, "beta": 90, "gamma": 90 }
139
Hg3Sb
hard_negative
false
null
0
0.106776
0.106776
true
[ "metallic" ]
null
mp-975509
[ "Rb", "Ba" ]
[ 37, 37, 56, 56, 56, 56, 56, 56 ]
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": 6.405010223388672, "b": 6.405010223388672, "c": 13.592944145202637, "alpha": 90, "beta": 90, "gamma": 90 }
139
RbBa3
hard_negative
false
null
0
0.124393
0.124393
true
[ "metallic" ]
null
mp-975641
[ "Cd", "Pr" ]
[ 59, 59, 59, 59, 59, 59, 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": 4.933286190032959, "b": 4.933286190032959, "c": 10.254901885986328, "alpha": 90, "beta": 90, "gamma": 90 }
139
Pr3Cd
hard_negative
false
null
0
0.054997
-0.125827
true
[ "metallic" ]
null
mp-975642
[ "Cu", "Pr" ]
[ 59, 59, 59, 59, 59, 59, 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": 4.727695941925049, "b": 4.727695941925049, "c": 10.19865608215332, "alpha": 90, "beta": 90, "gamma": 90 }
139
Pr3Cu
hard_negative
false
null
0
0.233124
0.154554
true
[ "metallic" ]
null
mp-975647
[ "Ag", "Pr" ]
[ 59, 59, 59, 59, 59, 59, 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": 4.841296195983887, "b": 4.841296195983887, "c": 10.468301773071289, "alpha": 90, "beta": 90, "gamma": 90 }
139
Pr3Ag
hard_negative
false
null
0
0.139648
0.023751
true
[ "metallic" ]
null
mp-975784
[ "Y", "Pr" ]
[ 59, 59, 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": 5.163825988769531, "b": 5.163825988769531, "c": 10.197908401489258, "alpha": 90, "beta": 90, "gamma": 90 }
139
PrY3
hard_negative
false
null
0
0.077413
0.077413
true
[ "metallic" ]
null
mp-975794
[ "Li", "Be" ]
[ 3, 3, 3, 3, 3, 3, 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": 3.8311259746551514, "b": 3.8311259746551514, "c": 7.9599480628967285, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3Be
hard_negative
true
6
0
0.241679
0.241679
true
[ "li", "metallic" ]
null
mp-975795
[ "Pr", "Tm" ]
[ 59, 59, 69, 69, 69, 69, 69, 69 ]
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": 5.043830394744873, "b": 5.043830394744873, "c": 9.946402549743652, "alpha": 90, "beta": 90, "gamma": 90 }
139
PrTm3
hard_negative
false
null
0
0.059936
0.059936
true
[ "metallic" ]
null
mp-975812
[ "Pr", "Sm" ]
[ 59, 59, 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": 5.18678092956543, "b": 5.18678092956543, "c": 10.26126480102539, "alpha": 90, "beta": 90, "gamma": 90 }
139
PrSm3
hard_negative
false
null
0
0.026284
0.026284
true
[ "metallic" ]
null
mp-975868
[ "Li", "Al" ]
[ 3, 3, 3, 3, 3, 3, 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": 3.903024673461914, "b": 3.903024673461914, "c": 8.735306739807129, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3Al
hard_negative
true
6
0
0.059412
-0.077579
true
[ "li", "metallic" ]
null
mp-975882
[ "Li", "Cu" ]
[ 3, 3, 3, 3, 3, 3, 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": 4.046755790710449, "b": 4.046755790710449, "c": 7.184405326843262, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3Cu
hard_negative
true
6
0
0.059977
0.056219
true
[ "li", "metallic" ]
null
mp-975887
[ "Pr", "Nd" ]
[ 59, 59, 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": 5.240108013153076, "b": 5.240108013153076, "c": 10.417874336242676, "alpha": 90, "beta": 90, "gamma": 90 }
139
PrNd3
hard_negative
false
null
0
0.0222
0.0222
true
[ "metallic" ]
null
mp-975904
[ "Li", "Cd" ]
[ 3, 3, 3, 3, 3, 3, 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": 4.277919292449951, "b": 4.277919292449951, "c": 7.922756671905518, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3Cd
hard_negative
true
6
0
0
-0.181382
true
[ "li", "metallic" ]
null
mp-975906
[ "Li", "Al" ]
[ 3, 3, 13, 13, 13, 13, 13, 13 ]
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": 4.003296375274658, "b": 4.003296375274658, "c": 7.970208168029785, "alpha": 90, "beta": 90, "gamma": 90 }
139
LiAl3
hard_negative
true
2
0
0.026654
-0.077585
true
[ "li", "metallic" ]
null
mp-975909
[ "Li", "Au" ]
[ 3, 3, 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": 3.96876859664917, "b": 3.96876859664917, "c": 8.34774112701416, "alpha": 90, "beta": 90, "gamma": 90 }
139
LiAu3
hard_negative
true
2
0
0.004237
-0.37749
true
[ "li", "metallic" ]
null
mp-975912
[ "H", "Mo" ]
[ 42, 42, 42, 42, 42, 42, 1, 1 ]
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": 3.554042100906372, "b": 3.554042100906372, "c": 8.781018257141113, "alpha": 90, "beta": 90, "gamma": 90 }
139
Mo3H
hard_negative
false
null
0
0.850179
0.850179
true
[ "metallic" ]
null
mp-976017
[ "Li", "Co" ]
[ 3, 3, 3, 3, 3, 3, 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": 3.8116979598999023, "b": 3.8116979598999023, "c": 7.753119945526123, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3Co
hard_negative
true
6
0
0.328824
0.328824
true
[ "li", "metallic" ]
null
mp-976025
[ "Li", "Ga" ]
[ 3, 3, 3, 3, 3, 3, 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": 4.132104396820068, "b": 4.132104396820068, "c": 7.350772380828857, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3Ga
hard_negative
true
6
0
0.033745
-0.218065
true
[ "li", "metallic" ]
null
mp-976029
[ "Zr", "Ho" ]
[ 67, 67, 67, 67, 67, 67, 40, 40 ]
8
2
[ [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.862527370452881, "b": 4.862527370452881, "c": 9.697002410888672, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ho3Zr
hard_negative
false
null
0
0.085685
0.085685
true
[ "metallic" ]
null
mp-976047
[ "Li", "Hg" ]
[ 3, 3, 3, 3, 3, 3, 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": 4.20488166809082, "b": 4.20488166809082, "c": 7.681538105010986, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3Hg
hard_negative
true
6
0
0
-0.295253
true
[ "li", "metallic" ]
null
mp-976053
[ "Ge", "Te" ]
[ 32, 32, 32, 32, 32, 32, 52, 52 ]
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": 4.124385833740234, "b": 4.124385833740234, "c": 10.735708236694336, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ge3Te
hard_negative
false
null
0
0.403857
0.386123
true
[ "metallic" ]
null
mp-976055
[ "Li", "In" ]
[ 3, 3, 3, 3, 3, 3, 49, 49 ]
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": 4.161462783813477, "b": 4.161462783813477, "c": 8.456157684326172, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3In
hard_negative
true
6
0
0.01666
-0.287545
true
[ "li", "metallic" ]
null
mp-976075
[ "Li", "Ca" ]
[ 3, 3, 3, 3, 3, 3, 20, 20 ]
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": 4.664886951446533, "b": 4.664886951446533, "c": 9.780991554260254, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3Ca
hard_negative
true
6
0
0.060048
0.045541
true
[ "li", "metallic" ]
null
mp-976106
[ "Hf", "Tl" ]
[ 72, 72, 72, 72, 72, 72, 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": 4.303239345550537, "b": 4.303239345550537, "c": 9.432502746582031, "alpha": 90, "beta": 90, "gamma": 90 }
139
Hf3Tl
hard_negative
false
null
0
0
-0.024141
true
[ "metallic" ]
null
mp-976135
[ "Pr", "Er" ]
[ 59, 59, 68, 68, 68, 68, 68, 68 ]
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": 5.067404747009277, "b": 5.067404747009277, "c": 9.95726490020752, "alpha": 90, "beta": 90, "gamma": 90 }
139
PrEr3
hard_negative
false
null
0
0.066199
0.066199
true
[ "metallic" ]
null
mp-976150
[ "Na", "Al" ]
[ 11, 11, 13, 13, 13, 13, 13, 13 ]
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": 4.375442028045654, "b": 4.375442028045654, "c": 7.96041202545166, "alpha": 90, "beta": 90, "gamma": 90 }
139
NaAl3
hard_negative
false
null
0
0.187914
0.187914
true
[ "metallic" ]
null
mp-976263
[ "Li", "Nb" ]
[ 3, 3, 3, 3, 3, 3, 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": 3.8942439556121826, "b": 3.8942439556121826, "c": 9.293707847595215, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3Nb
hard_negative
true
6
0
0.703949
0.703949
true
[ "li", "metallic" ]
null
mp-976272
[ "Li", "Ca" ]
[ 3, 3, 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": 5.1986517906188965, "b": 5.1986517906188965, "c": 11.119857788085938, "alpha": 90, "beta": 90, "gamma": 90 }
139
LiCa3
hard_negative
true
2
0
0.077402
0.070149
true
[ "li", "metallic" ]
null
mp-976281
[ "Li", "Pd" ]
[ 3, 3, 3, 3, 3, 3, 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": 3.9614720344543457, "b": 3.9614720344543457, "c": 7.577035903930664, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3Pd
hard_negative
true
6
0
0.002971
-0.275359
true
[ "li", "metallic" ]
null
mp-976322
[ "Li", "Pt" ]
[ 3, 3, 3, 3, 3, 3, 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": 3.9285500049591064, "b": 3.9285500049591064, "c": 7.280595779418945, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3Pt
hard_negative
true
6
0
0.004037
-0.453104
true
[ "li", "metallic" ]
null
mp-976355
[ "Si", "Lu" ]
[ 71, 71, 71, 71, 71, 71, 14, 14 ]
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": 4.389133930206299, "b": 4.389133930206299, "c": 9.915446281433105, "alpha": 90, "beta": 90, "gamma": 90 }
139
Lu3Si
hard_negative
false
null
0
0.24223
-0.28109
true
[ "metallic" ]
null
mp-976357
[ "Sn", "Lu" ]
[ 71, 71, 71, 71, 71, 71, 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": 4.569640159606934, "b": 4.569640159606934, "c": 10.24738597869873, "alpha": 90, "beta": 90, "gamma": 90 }
139
Lu3Sn
hard_negative
false
null
0
0.079137
-0.437931
true
[ "metallic" ]
null
mp-976365
[ "Nd", "Au" ]
[ 60, 60, 60, 60, 60, 60, 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": 4.700585842132568, "b": 4.700585842132568, "c": 10.441264152526855, "alpha": 90, "beta": 90, "gamma": 90 }
139
Nd3Au
hard_negative
false
null
0
0.206785
-0.207432
true
[ "metallic" ]
null
mp-976404
[ "F", "Na" ]
[ 11, 11, 9, 9, 9, 9, 9, 9 ]
8
2
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 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 ], [ 0.5, 0.5, 0 ] ]
{ "a": 3.254721164703369, "b": 3.254721164703369, "c": 8.030776023864746, "alpha": 90, "beta": 90, "gamma": 90 }
139
NaF3
hard_negative
false
null
0
0.23796
-1.242326
true
[ "halide", "metallic" ]
null
mp-976407
[ "Li", "Ac" ]
[ 3, 3, 3, 3, 3, 3, 89, 89 ]
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": 4.780683994293213, "b": 4.780683994293213, "c": 9.848172187805176, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3Ac
hard_negative
true
6
0
0.180627
0.180627
true
[ "li", "metallic" ]
null
mp-976408
[ "Li", "Ag" ]
[ 3, 3, 3, 3, 3, 3, 47, 47 ]
8
2
[ [ 0.5, 0, 0.25 ], [ 0, 0.5, 0.25 ], [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.75 ], [ 0.5, 0, 0.75 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 4.218249320983887, "b": 4.218249320983887, "c": 7.337168216705322, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3Ag
hard_negative
true
6
0
0.001315
-0.12103
true
[ "li", "metallic" ]
null
mp-976410
[ "Cr", "Nd" ]
[ 60, 60, 60, 60, 60, 60, 24, 24 ]
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": 4.84309196472168, "b": 4.84309196472168, "c": 10.201461791992188, "alpha": 90, "beta": 90, "gamma": 90 }
139
Nd3Cr
hard_negative
false
null
0
0.36672
0.36672
true
[ "metallic" ]
null
mp-976414
[ "Li", "Zn" ]
[ 3, 3, 3, 3, 3, 3, 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": 4.283641815185547, "b": 4.283641815185547, "c": 6.963634490966797, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3Zn
hard_negative
true
6
0
0.025023
-0.08503
true
[ "li", "metallic" ]
null
mp-976417
[ "Nd", "Hg" ]
[ 60, 60, 60, 60, 60, 60, 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": 4.863694190979004, "b": 4.863694190979004, "c": 10.230956077575684, "alpha": 90, "beta": 90, "gamma": 90 }
139
Nd3Hg
hard_negative
false
null
0
0.080782
-0.234366
true
[ "metallic" ]
null
mp-976418
[ "Nd", "Ho" ]
[ 60, 60, 60, 60, 60, 60, 67, 67 ]
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": 5.170815467834473, "b": 5.170815467834473, "c": 10.243659019470215, "alpha": 90, "beta": 90, "gamma": 90 }
139
Nd3Ho
hard_negative
false
null
0
0.028584
0.028584
true
[ "metallic" ]
null
mp-976419
[ "Hf", "Bi" ]
[ 72, 72, 72, 72, 72, 72, 83, 83 ]
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": 4.4032979011535645, "b": 4.4032979011535645, "c": 9.497679710388184, "alpha": 90, "beta": 90, "gamma": 90 }
139
Hf3Bi
hard_negative
false
null
0
0.074604
-0.070509
true
[ "metallic" ]
null
mp-976421
[ "Mg", "Nd" ]
[ 60, 60, 60, 60, 60, 60, 12, 12 ]
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": 5.004243850708008, "b": 5.004243850708008, "c": 10.161237716674805, "alpha": 90, "beta": 90, "gamma": 90 }
139
Nd3Mg
hard_negative
false
null
0
0.053625
0.006732
true
[ "metallic" ]
null
mp-976422
[ "C", "Hf" ]
[ 72, 72, 72, 72, 72, 72, 6, 6 ]
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": 3.929572105407715, "b": 3.929572105407715, "c": 9.119294166564941, "alpha": 90, "beta": 90, "gamma": 90 }
139
Hf3C
hard_negative
false
null
0
1.323732
0.762284
true
[ "metallic" ]
null
mp-976423
[ "Pd", "Nd" ]
[ 60, 60, 60, 60, 60, 60, 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": 4.544834136962891, "b": 4.544834136962891, "c": 11.014116287231445, "alpha": 90, "beta": 90, "gamma": 90 }
139
Nd3Pd
hard_negative
false
null
0
0.2792
-0.131875
true
[ "metallic" ]
null
mp-976742
[ "Mg", "Pa" ]
[ 12, 12, 91, 91, 91, 91, 91, 91 ]
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": 4.584482192993164, "b": 4.584482192993164, "c": 9.16946792602539, "alpha": 90, "beta": 90, "gamma": 90 }
139
MgPa3
hard_negative
false
null
0
0.199469
0.199469
true
[ "metallic" ]
null
mp-976762
[ "Ni", "Ag" ]
[ 28, 28, 47, 47, 47, 47, 47, 47 ]
8
2
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0.25 ], [ 0, 0.5, 0.25 ], [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.75 ], [ 0.5, 0, 0.75 ], [ 0, 0, 0.5 ] ]
{ "a": 4.022235870361328, "b": 4.022235870361328, "c": 7.982172012329102, "alpha": 90, "beta": 90, "gamma": 90 }
139
NiAg3
hard_negative
false
null
0
0.184967
0.184967
true
[ "metallic" ]
null
mp-976765
[ "Na", "Au" ]
[ 11, 11, 11, 11, 11, 11, 79, 79 ]
8
2
[ [ 0.5, 0, 0.75 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.25 ], [ 0.5, 0, 0.25 ], [ 0, 0, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
{ "a": 5.021706581115723, "b": 5.021706581115723, "c": 7.502782344818115, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Au
hard_negative
false
null
0
0.043377
-0.179612
true
[ "metallic" ]
null
mp-976768
[ "Na", "Mg" ]
[ 11, 11, 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": 4.719342231750488, "b": 4.719342231750488, "c": 9.098688125610352, "alpha": 90, "beta": 90, "gamma": 90 }
139
NaMg3
hard_negative
false
null
0
0.113088
0.113088
true
[ "metallic" ]
null
mp-976774
[ "Ni", "Ge" ]
[ 28, 28, 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": 4.107508182525635, "b": 4.107508182525635, "c": 7.702469825744629, "alpha": 90, "beta": 90, "gamma": 90 }
139
NiGe3
hard_negative
false
null
0
0.413276
0.280399
true
[ "metallic" ]
null
mp-976809
[ "S", "Ni" ]
[ 28, 28, 28, 28, 28, 28, 16, 16 ]
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": 3.4860799312591553, "b": 3.4860799312591553, "c": 7.312334060668945, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ni3S
hard_negative
false
null
0
0.378432
0.021275
true
[ "sulfide", "metallic" ]
null
mp-976818
[ "Ni", "Au" ]
[ 28, 28, 28, 28, 28, 28, 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": 3.673736095428467, "b": 3.673736095428467, "c": 7.481698036193848, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ni3Au
hard_negative
false
null
0
0.097467
0.097467
true
[ "metallic" ]
null
mp-976824
[ "Mg", "Pb" ]
[ 12, 12, 82, 82, 82, 82, 82, 82 ]
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": 4.783847808837891, "b": 4.783847808837891, "c": 10.06917953491211, "alpha": 90, "beta": 90, "gamma": 90 }
139
MgPb3
hard_negative
false
null
0
0.034439
0.020799
true
[ "metallic" ]
null
mp-976870
[ "Na", "Ni" ]
[ 11, 11, 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": 3.7343199253082275, "b": 3.7343199253082275, "c": 7.312798023223877, "alpha": 90, "beta": 90, "gamma": 90 }
139
NaNi3
hard_negative
false
null
0
0.517467
0.517467
true
[ "metallic" ]
null
mp-976971
[ "Na", "Pd" ]
[ 11, 11, 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": 3.959930181503296, "b": 3.959930181503296, "c": 8.021267890930176, "alpha": 90, "beta": 90, "gamma": 90 }
139
NaPd3
hard_negative
false
null
0
0.000253
0.000253
true
[ "metallic" ]
null
mp-977057
[ "As", "Np" ]
[ 93, 93, 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": 4.040071964263916, "b": 4.040071964263916, "c": 9.721961975097656, "alpha": 90, "beta": 90, "gamma": 90 }
139
NpAs3
hard_negative
false
null
0
0.090927
-0.612199
true
[ "metallic" ]
null
mp-977128
[ "Na", "Ru" ]
[ 11, 11, 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": 3.873284101486206, "b": 3.873284101486206, "c": 7.860176086425781, "alpha": 90, "beta": 90, "gamma": 90 }
139
NaRu3
hard_negative
false
null
0
0.817024
0.817024
true
[ "metallic" ]
null
mp-977145
[ "P", "Ho" ]
[ 67, 67, 67, 67, 67, 67, 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": 4.380899906158447, "b": 4.380899906158447, "c": 10.17088794708252, "alpha": 90, "beta": 90, "gamma": 90 }
139
Ho3P
hard_negative
false
null
0
0.48146
-0.444354
true
[ "metallic" ]
null
mp-977155
[ "Fe", "Np" ]
[ 93, 93, 26, 26, 26, 26, 26, 26 ]
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": 3.723562002182007, "b": 3.723562002182007, "c": 7.375135898590088, "alpha": 90, "beta": 90, "gamma": 90 }
139
NpFe3
hard_negative
false
null
0
0.200274
0.200274
true
[ "metallic" ]
null
mp-977194
[ "Be", "Na" ]
[ 11, 11, 11, 11, 11, 11, 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": 4.668558120727539, "b": 4.668558120727539, "c": 9.473471641540527, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Be
hard_negative
false
null
0
0.53124
0.53124
true
[ "metallic" ]
null
mp-977230
[ "Li", "Tc" ]
[ 3, 3, 3, 3, 3, 3, 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": 3.750339984893799, "b": 3.750339984893799, "c": 8.311074256896973, "alpha": 90, "beta": 90, "gamma": 90 }
139
Li3Tc
hard_negative
true
6
0
0.624328
0.624328
true
[ "li", "metallic" ]
null
mp-977264
[ "Mg", "Pm" ]
[ 61, 61, 61, 61, 12, 12 ]
6
2
[ [ 0, 0, 0.844792902469635 ], [ 0, 0, 0.15520712733268738 ], [ 0.5, 0.5, 0.3447928726673126 ], [ 0.5, 0.5, 0.655207097530365 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0.5 ] ]
{ "a": 3.8314201831817627, "b": 3.8314201831817627, "c": 12.703262329101562, "alpha": 90, "beta": 90, "gamma": 90 }
139
Pm2Mg
hard_negative
false
null
0
0.017991
-0.042059
true
[ "metallic" ]
null
mp-977314
[ "Na", "Lu" ]
[ 11, 11, 71, 71, 71, 71, 71, 71 ]
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": 4.8112664222717285, "b": 4.8112664222717285, "c": 10.456348419189453, "alpha": 90, "beta": 90, "gamma": 90 }
139
NaLu3
hard_negative
false
null
0
0.340443
0.340443
true
[ "metallic" ]
null
mp-977366
[ "Sb", "Np" ]
[ 93, 93, 51, 51, 51, 51, 51, 51 ]
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": 4.461372375488281, "b": 4.461372375488281, "c": 10.79616641998291, "alpha": 90, "beta": 90, "gamma": 90 }
139
NpSb3
hard_negative
false
null
0
0
-0.292754
true
[ "metallic" ]
null
mp-977385
[ "H", "Np" ]
[ 93, 93, 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": 3.4327166080474854, "b": 3.4327166080474854, "c": 6.229922294616699, "alpha": 90, "beta": 90, "gamma": 90 }
139
NpH3
hard_negative
false
null
0
0
-0.573974
true
[ "metallic" ]
null
mp-977403
[ "Na", "Tl" ]
[ 11, 11, 11, 11, 11, 11, 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": 4.889407157897949, "b": 4.889407157897949, "c": 9.817874908447266, "alpha": 90, "beta": 90, "gamma": 90 }
139
Na3Tl
hard_negative
false
null
0
0.009274
-0.09414
true
[ "metallic" ]
null