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-978270
[ "Mg", "Zr" ]
[ 12, 12, 40, 40, 40, 40, 40, 40 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.16876065731048584, 0.3375213146209717, 0.25 ], [ 0.16876065731048584, 0.8312393426895142, 0.25 ], [ 0.6624786853790283, 0.8312393426895142, 0.25 ], [ 0.3375213146209717, 0.16876065731048584, 0.75 ], [ 0.8312393426895142, 0.16876065731048584, 0.75 ], [ 0.8312393426895142, 0.6624786853790283, 0.75 ] ]
{ "a": 6.352030277252197, "b": 6.352030277252197, "c": 5.162533760070801, "alpha": 90, "beta": 90, "gamma": 120 }
194
MgZr3
hard_negative
false
null
0
0.041416
0.041416
true
[ "metallic" ]
null
mp-978510
[ "Si", "As" ]
[ 14, 14, 14, 14, 14, 14, 33, 33 ]
8
2
[ [ 0.32339999079704285, 0.16169999539852142, 0.75 ], [ 0.8382999897003174, 0.16169999539852142, 0.75 ], [ 0.8382999897003174, 0.6765999794006348, 0.75 ], [ 0.6765999794006348, 0.8382999897003174, 0.25 ], [ 0.16169999539852142, 0.8382999897003174, 0.25 ], [ 0.16169999539852142, 0.32339999079704285, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 5.445298194885254, "b": 5.445298194885254, "c": 5.034389019012451, "alpha": 90, "beta": 90, "gamma": 120 }
194
Si3As
hard_negative
false
null
0
0.619338
0.559496
true
[ "metallic" ]
null
mp-978525
[ "Si", "Mo" ]
[ 14, 14, 14, 14, 14, 14, 42, 42 ]
8
2
[ [ 0.17457899451255798, 0.34915798902511597, 0.25 ], [ 0.17457899451255798, 0.8254209756851196, 0.25 ], [ 0.650842010974884, 0.8254209756851196, 0.25 ], [ 0.8254209756851196, 0.650842010974884, 0.75 ], [ 0.8254209756851196, 0.17457899451255798, 0.75 ], [ 0.34915798902511597, 0.17457899451255798, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 5.210284233093262, "b": 5.210284233093262, "c": 4.840019226074219, "alpha": 90, "beta": 90, "gamma": 120 }
194
Si3Mo
hard_negative
false
null
0
0.673305
0.323696
true
[ "metallic" ]
null
mp-978744
[ "Sm", "Bi" ]
[ 62, 62, 83, 83, 83, 83, 83, 83 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17500217258930206, 0.3500043451786041, 0.25 ], [ 0.17500217258930206, 0.8249978423118591, 0.25 ], [ 0.6499956846237183, 0.8249978423118591, 0.25 ], [ 0.8249978423118591, 0.6499956846237183, 0.75 ], [ 0.8249978423118591, 0.17500217258930206, 0.75 ], [ 0.3500043451786041, 0.17500217258930206, 0.75 ] ]
{ "a": 6.8856520652771, "b": 6.8856520652771, "c": 5.984091758728027, "alpha": 90, "beta": 90, "gamma": 120 }
194
SmBi3
hard_negative
false
null
0
0.155455
-0.420425
true
[ "metallic" ]
null
mp-978806
[ "Si", "Ag" ]
[ 14, 14, 14, 14, 14, 14, 47, 47 ]
8
2
[ [ 0.30740100145339966, 0.15370050072669983, 0.75 ], [ 0.8462995290756226, 0.15370050072669983, 0.75 ], [ 0.8462995290756226, 0.6925989985466003, 0.75 ], [ 0.6925989985466003, 0.8462995290756226, 0.25 ], [ 0.15370050072669983, 0.8462995290756226, 0.25 ], [ 0.15370050072669983, 0.30740100145339966, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 5.634219646453857, "b": 5.634219646453857, "c": 4.771580219268799, "alpha": 90, "beta": 90, "gamma": 120 }
194
Si3Ag
hard_negative
false
null
0
0.569952
0.569952
true
[ "metallic" ]
null
mp-978845
[ "Sc", "Sm" ]
[ 62, 62, 62, 62, 62, 62, 21, 21 ]
8
2
[ [ 0.17048189043998718, 0.34096378087997437, 0.25 ], [ 0.6590362191200256, 0.8295181393623352, 0.25 ], [ 0.17048189043998718, 0.8295181393623352, 0.25 ], [ 0.8295181393623352, 0.17048189043998718, 0.75 ], [ 0.34096378087997437, 0.17048189043998718, 0.75 ], [ 0.8295181393623352, 0.6590362191200256, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.262474536895752, "b": 7.262474536895752, "c": 5.620659351348877, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sm3Sc
hard_negative
false
null
0
0.034707
0.034707
true
[ "metallic" ]
null
mp-978919
[ "Ba", "Tb" ]
[ 56, 56, 56, 56, 56, 56, 65, 65 ]
8
2
[ [ 0.34376999735832214, 0.17188499867916107, 0.75 ], [ 0.8281149864196777, 0.17188499867916107, 0.75 ], [ 0.8281149864196777, 0.6562299728393555, 0.75 ], [ 0.6562299728393555, 0.8281149864196777, 0.25 ], [ 0.17188499867916107, 0.8281149864196777, 0.25 ], [ 0.17188499867916107, 0.34376999735832214, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 8.411483764648438, "b": 8.411483764648438, "c": 6.768603801727295, "alpha": 90, "beta": 90, "gamma": 120 }
194
Ba3Tb
hard_negative
false
null
0
0.222508
0.222508
true
[ "metallic" ]
null
mp-978927
[ "Sm", "Er" ]
[ 62, 62, 68, 68, 68, 68, 68, 68 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16482199728488922, 0.32964399456977844, 0.25 ], [ 0.670356035232544, 0.835178017616272, 0.25 ], [ 0.16482199728488922, 0.835178017616272, 0.25 ], [ 0.835178017616272, 0.670356035232544, 0.75 ], [ 0.32964399456977844, 0.16482199728488922, 0.75 ], [ 0.835178017616272, 0.16482199728488922, 0.75 ] ]
{ "a": 7.245163440704346, "b": 7.245163440704346, "c": 5.585396766662598, "alpha": 90, "beta": 90, "gamma": 120 }
194
SmEr3
hard_negative
false
null
0
0.019493
0.019493
true
[ "metallic" ]
null
mp-978963
[ "Be", "Ti" ]
[ 22, 22, 22, 22, 22, 22, 4, 4 ]
8
2
[ [ 0.3484320044517517, 0.17421600222587585, 0.75 ], [ 0.8257840275764465, 0.17421600222587585, 0.75 ], [ 0.8257840275764465, 0.6515679955482483, 0.75 ], [ 0.6515679955482483, 0.8257840275764465, 0.25 ], [ 0.17421600222587585, 0.8257840275764465, 0.25 ], [ 0.17421600222587585, 0.3484320044517517, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 5.551146030426025, "b": 5.551146030426025, "c": 4.485772132873535, "alpha": 90, "beta": 90, "gamma": 120 }
194
Ti3Be
hard_negative
false
null
0
0.074259
0.00159
true
[ "metallic" ]
null
mp-979013
[ "Ge", "Sm" ]
[ 62, 62, 32, 32, 32, 32, 32, 32 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.29657599329948425, 0.14828799664974213, 0.75 ], [ 0.8517119884490967, 0.14828799664974213, 0.75 ], [ 0.8517119884490967, 0.7034239768981934, 0.75 ], [ 0.7034239768981934, 0.8517119884490967, 0.25 ], [ 0.14828799664974213, 0.8517119884490967, 0.25 ], [ 0.14828799664974213, 0.29657599329948425, 0.25 ] ]
{ "a": 6.123568058013916, "b": 6.123568058013916, "c": 5.216063976287842, "alpha": 90, "beta": 90, "gamma": 120 }
194
SmGe3
hard_negative
false
null
0
0.100666
-0.395154
true
[ "metallic" ]
null
mp-979026
[ "Sm", "Tm" ]
[ 62, 62, 69, 69, 69, 69, 69, 69 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1647539883852005, 0.329507976770401, 0.25 ], [ 0.6704919934272766, 0.8352460265159607, 0.25 ], [ 0.1647539883852005, 0.8352460265159607, 0.25 ], [ 0.8352460265159607, 0.6704919934272766, 0.75 ], [ 0.329507976770401, 0.1647539883852005, 0.75 ], [ 0.8352460265159607, 0.1647539883852005, 0.75 ] ]
{ "a": 7.208519458770752, "b": 7.208519458770752, "c": 5.56600284576416, "alpha": 90, "beta": 90, "gamma": 120 }
194
SmTm3
hard_negative
false
null
0
0.008357
0.008357
true
[ "metallic" ]
null
mp-979040
[ "Al", "Tm" ]
[ 69, 69, 13, 13, 13, 13, 13, 13 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.8514499664306641, 0.7028999328613281, 0.75 ], [ 0.2971000671386719, 0.14855003356933594, 0.75 ], [ 0.8514499664306641, 0.14855003356933594, 0.75 ], [ 0.14855003356933594, 0.2971000671386719, 0.25 ], [ 0.7028999328613281, 0.8514499664306641, 0.25 ], [ 0.14855003356933594, 0.8514499664306641, 0.25 ] ]
{ "a": 6.145257949829102, "b": 6.145257949829102, "c": 4.590773105621338, "alpha": 90, "beta": 90, "gamma": 120 }
194
TmAl3
hard_negative
false
null
0
0
-0.453834
true
[ "metallic" ]
null
mp-979234
[ "Y", "Sm" ]
[ 62, 62, 62, 62, 62, 62, 39, 39 ]
8
2
[ [ 0.16847817599773407, 0.33695635199546814, 0.25 ], [ 0.6630436778068542, 0.8315218091011047, 0.25 ], [ 0.16847817599773407, 0.8315218091011047, 0.25 ], [ 0.8315218091011047, 0.6630436778068542, 0.75 ], [ 0.33695635199546814, 0.16847817599773407, 0.75 ], [ 0.8315218091011047, 0.16847817599773407, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 7.387303352355957, "b": 7.387303352355957, "c": 5.893924236297607, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sm3Y
hard_negative
false
null
0
0.015621
0.015621
true
[ "metallic" ]
null
mp-979263
[ "Mg", "Th" ]
[ 90, 90, 12, 12, 12, 12, 12, 12 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.16078603267669678, 0.32157206535339355, 0.25 ], [ 0.16078603267669678, 0.8392139673233032, 0.25 ], [ 0.6784279346466064, 0.8392139673233032, 0.25 ], [ 0.32157206535339355, 0.16078603267669678, 0.75 ], [ 0.8392139673233032, 0.16078603267669678, 0.75 ], [ 0.8392139673233032, 0.6784279346466064, 0.75 ] ]
{ "a": 6.762757778167725, "b": 6.762757778167725, "c": 5.214115619659424, "alpha": 90, "beta": 90, "gamma": 120 }
194
ThMg3
hard_negative
false
null
0
0.071255
0.071255
true
[ "metallic" ]
null
mp-979266
[ "Al", "Sm" ]
[ 62, 62, 62, 62, 62, 62, 13, 13 ]
8
2
[ [ 0.8218628764152527, 0.1781371384859085, 0.75 ], [ 0.356274276971817, 0.1781371384859085, 0.75 ], [ 0.8218628764152527, 0.6437256932258606, 0.75 ], [ 0.1781371384859085, 0.8218628764152527, 0.25 ], [ 0.6437256932258606, 0.8218628764152527, 0.25 ], [ 0.1781371384859085, 0.356274276971817, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.018798828125, "b": 7.018798828125, "c": 5.298597812652588, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sm3Al
hard_negative
false
null
0
0
-0.237744
true
[ "metallic" ]
null
mp-979292
[ "Y", "Sm" ]
[ 62, 62, 39, 39, 39, 39, 39, 39 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1660330444574356, 0.3320660889148712, 0.25 ], [ 0.6679338812828064, 0.8339669704437256, 0.25 ], [ 0.1660330444574356, 0.8339669704437256, 0.25 ], [ 0.8339669704437256, 0.6679338812828064, 0.75 ], [ 0.3320660889148712, 0.1660330444574356, 0.75 ], [ 0.8339669704437256, 0.1660330444574356, 0.75 ] ]
{ "a": 7.32361364364624, "b": 7.32361364364624, "c": 5.876297473907471, "alpha": 90, "beta": 90, "gamma": 120 }
194
SmY3
hard_negative
false
null
0
0.008376
0.008376
true
[ "metallic" ]
null
mp-979293
[ "I", "Sm" ]
[ 62, 62, 62, 62, 62, 62, 53, 53 ]
8
2
[ [ 0.16581499576568604, 0.33162999153137207, 0.25 ], [ 0.16581499576568604, 0.834185004234314, 0.25 ], [ 0.6683700084686279, 0.834185004234314, 0.25 ], [ 0.834185004234314, 0.6683700084686279, 0.75 ], [ 0.834185004234314, 0.16581499576568604, 0.75 ], [ 0.33162999153137207, 0.16581499576568604, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 7.022429943084717, "b": 7.022429943084717, "c": 5.75338077545166, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sm3I
hard_negative
false
null
0
0.370951
-0.188917
true
[ "halide", "metallic" ]
null
mp-979339
[ "Cd", "Sm" ]
[ 62, 62, 62, 62, 62, 62, 48, 48 ]
8
2
[ [ 0.3466329872608185, 0.17331649363040924, 0.75 ], [ 0.826683521270752, 0.17331649363040924, 0.75 ], [ 0.826683521270752, 0.6533669829368591, 0.75 ], [ 0.6533669829368591, 0.826683521270752, 0.25 ], [ 0.17331649363040924, 0.826683521270752, 0.25 ], [ 0.17331649363040924, 0.3466329872608185, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.092246055603027, "b": 7.092246055603027, "c": 5.55596399307251, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sm3Cd
hard_negative
false
null
0
0.067684
-0.082764
true
[ "metallic" ]
null
mp-979355
[ "Sm", "Dy" ]
[ 62, 62, 62, 62, 62, 62, 66, 66 ]
8
2
[ [ 0.16847439110279083, 0.33694878220558167, 0.25 ], [ 0.6630512475967407, 0.8315256237983704, 0.25 ], [ 0.16847439110279083, 0.8315256237983704, 0.25 ], [ 0.8315256237983704, 0.6630512475967407, 0.75 ], [ 0.33694878220558167, 0.16847439110279083, 0.75 ], [ 0.8315256237983704, 0.16847439110279083, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 7.355257511138916, "b": 7.355257511138916, "c": 5.873589992523193, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sm3Dy
hard_negative
false
null
0
0.011018
0.011018
true
[ "metallic" ]
null
mp-979465
[ "Cd", "Sm" ]
[ 62, 62, 48, 48, 48, 48, 48, 48 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.15890713036060333, 0.31781426072120667, 0.25 ], [ 0.6821857690811157, 0.8410928845405579, 0.25 ], [ 0.15890713036060333, 0.8410928845405579, 0.25 ], [ 0.8410928845405579, 0.6821857690811157, 0.75 ], [ 0.31781426072120667, 0.15890713036060333, 0.75 ], [ 0.8410928845405579, 0.15890713036060333, 0.75 ] ]
{ "a": 6.697394371032715, "b": 6.697394371032715, "c": 4.950801372528076, "alpha": 90, "beta": 90, "gamma": 120 }
194
SmCd3
hard_negative
false
null
0
0
-0.268553
true
[ "metallic" ]
null
mp-979614
[ "Sm", "Er" ]
[ 62, 62, 62, 62, 62, 62, 68, 68 ]
8
2
[ [ 0.1691727638244629, 0.3383455276489258, 0.25 ], [ 0.6616544723510742, 0.8308272361755371, 0.25 ], [ 0.1691727638244629, 0.8308272361755371, 0.25 ], [ 0.8308272361755371, 0.6616544723510742, 0.75 ], [ 0.3383455276489258, 0.1691727638244629, 0.75 ], [ 0.8308272361755371, 0.1691727638244629, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 7.338021278381348, "b": 7.338021278381348, "c": 5.846893310546875, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sm3Er
hard_negative
false
null
0
0.013698
0.013698
true
[ "metallic" ]
null
mp-979714
[ "Ag", "Sm" ]
[ 62, 62, 62, 62, 62, 62, 47, 47 ]
8
2
[ [ 0.34802401065826416, 0.17401200532913208, 0.75 ], [ 0.8259879946708679, 0.17401200532913208, 0.75 ], [ 0.8259879946708679, 0.6519759893417358, 0.75 ], [ 0.6519759893417358, 0.8259879946708679, 0.25 ], [ 0.17401200532913208, 0.8259879946708679, 0.25 ], [ 0.17401200532913208, 0.34802401065826416, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.014636516571045, "b": 7.014636516571045, "c": 5.426352024078369, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sm3Ag
hard_negative
false
null
0
0.157027
0.005807
true
[ "metallic" ]
null
mp-979899
[ "Sm", "Ho" ]
[ 62, 62, 62, 62, 62, 62, 67, 67 ]
8
2
[ [ 0.1691361665725708, 0.3382723331451416, 0.25 ], [ 0.6617276668548584, 0.8308638334274292, 0.25 ], [ 0.1691361665725708, 0.8308638334274292, 0.25 ], [ 0.8308638334274292, 0.6617276668548584, 0.75 ], [ 0.3382723331451416, 0.1691361665725708, 0.75 ], [ 0.8308638334274292, 0.1691361665725708, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 7.355198383331299, "b": 7.355198383331299, "c": 5.859621524810791, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sm3Ho
hard_negative
false
null
0
0.012368
0.01092
true
[ "metallic" ]
null
mp-979900
[ "As", "Tm" ]
[ 69, 69, 33, 33, 33, 33, 33, 33 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3633269965648651, 0.18166349828243256, 0.75 ], [ 0.8183364868164062, 0.18166349828243256, 0.75 ], [ 0.8183364868164062, 0.6366729736328125, 0.75 ], [ 0.6366729736328125, 0.8183364868164062, 0.25 ], [ 0.18166349828243256, 0.8183364868164062, 0.25 ], [ 0.18166349828243256, 0.3633269965648651, 0.25 ] ]
{ "a": 5.936312198638916, "b": 5.936312198638916, "c": 5.491203784942627, "alpha": 90, "beta": 90, "gamma": 120 }
194
TmAs3
hard_negative
false
null
0
0.299587
-0.588182
true
[ "metallic" ]
null
mp-979919
[ "O", "Ta" ]
[ 73, 73, 8, 8, 8, 8, 8, 8 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.36003899574279785, 0.18001949787139893, 0.75 ], [ 0.8199805021286011, 0.18001949787139893, 0.75 ], [ 0.8199805021286011, 0.6399610042572021, 0.75 ], [ 0.6399610042572021, 0.8199805021286011, 0.25 ], [ 0.18001949787139893, 0.8199805021286011, 0.25 ], [ 0.18001949787139893, 0.36003899574279785, 0.25 ] ]
{ "a": 4.67564582824707, "b": 4.67564582824707, "c": 3.724236011505127, "alpha": 90, "beta": 90, "gamma": 120 }
194
TaO3
hard_negative
false
null
0
1.122415
-1.805827
true
[ "oxide", "metallic" ]
null
mp-979923
[ "Mn", "Sm" ]
[ 62, 62, 25, 25, 25, 25, 25, 25 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1465349942445755, 0.293069988489151, 0.25 ], [ 0.1465349942445755, 0.8534650206565857, 0.25 ], [ 0.7069299817085266, 0.8534650206565857, 0.25 ], [ 0.8534650206565857, 0.7069299817085266, 0.75 ], [ 0.8534650206565857, 0.1465349942445755, 0.75 ], [ 0.293069988489151, 0.1465349942445755, 0.75 ] ]
{ "a": 6.022888660430908, "b": 6.022888660430908, "c": 4.6288981437683105, "alpha": 90, "beta": 90, "gamma": 120 }
194
SmMn3
hard_negative
false
null
0
0.346148
0.346148
true
[ "metallic" ]
null
mp-979933
[ "Si", "Tm" ]
[ 69, 69, 69, 69, 69, 69, 14, 14 ]
8
2
[ [ 0.3488839864730835, 0.17444199323654175, 0.75 ], [ 0.8255580067634583, 0.17444199323654175, 0.75 ], [ 0.8255580067634583, 0.6511160135269165, 0.75 ], [ 0.6511160135269165, 0.8255580067634583, 0.25 ], [ 0.17444199323654175, 0.8255580067634583, 0.25 ], [ 0.17444199323654175, 0.3488839864730835, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.518181800842285, "b": 6.518181800842285, "c": 5.161770820617676, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tm3Si
hard_negative
false
null
0
0.230603
-0.295615
true
[ "metallic" ]
null
mp-979973
[ "Sm", "Tm" ]
[ 62, 62, 62, 62, 62, 62, 69, 69 ]
8
2
[ [ 0.1694919615983963, 0.3389839231967926, 0.25 ], [ 0.6610161066055298, 0.8305080533027649, 0.25 ], [ 0.1694919615983963, 0.8305080533027649, 0.25 ], [ 0.8305080533027649, 0.6610161066055298, 0.75 ], [ 0.3389839231967926, 0.1694919615983963, 0.75 ], [ 0.8305080533027649, 0.1694919615983963, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 7.323258399963379, "b": 7.323258399963379, "c": 5.838526248931885, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sm3Tm
hard_negative
false
null
0
0.010108
0.010108
true
[ "metallic" ]
null
mp-979980
[ "V", "Pd" ]
[ 23, 23, 46, 46, 46, 46, 46, 46 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1688520759344101, 0.3377041518688202, 0.25 ], [ 0.6622958779335022, 0.8311479091644287, 0.25 ], [ 0.1688520759344101, 0.8311479091644287, 0.25 ], [ 0.8311479091644287, 0.6622958779335022, 0.75 ], [ 0.3377041518688202, 0.1688520759344101, 0.75 ], [ 0.8311479091644287, 0.1688520759344101, 0.75 ] ]
{ "a": 5.484891891479492, "b": 5.484891891479492, "c": 4.463481903076172, "alpha": 90, "beta": 90, "gamma": 120 }
194
VPd3
hard_negative
false
null
0
0.001083
-0.265271
true
[ "metallic" ]
null
mp-979983
[ "Cs", "Yb" ]
[ 55, 55, 55, 55, 55, 55, 70, 70 ]
8
2
[ [ 0.822722315788269, 0.17727768421173096, 0.75 ], [ 0.3545553684234619, 0.17727768421173096, 0.75 ], [ 0.822722315788269, 0.6454446315765381, 0.75 ], [ 0.6454446315765381, 0.822722315788269, 0.25 ], [ 0.17727768421173096, 0.822722315788269, 0.25 ], [ 0.17727768421173096, 0.3545553684234619, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 9.492300033569336, "b": 9.492300033569336, "c": 7.793972015380859, "alpha": 90, "beta": 90, "gamma": 120 }
194
Cs3Yb
hard_negative
false
null
0
0.658644
0.658644
true
[ "metallic" ]
null
mp-979985
[ "Yb", "Au" ]
[ 70, 70, 79, 79, 79, 79, 79, 79 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3284279704093933, 0.16421398520469666, 0.75 ], [ 0.835785984992981, 0.16421398520469666, 0.75 ], [ 0.835785984992981, 0.6715720295906067, 0.75 ], [ 0.6715720295906067, 0.835785984992981, 0.25 ], [ 0.16421398520469666, 0.835785984992981, 0.25 ], [ 0.16421398520469666, 0.3284279704093933, 0.25 ] ]
{ "a": 6.045151233673096, "b": 6.045151233673096, "c": 4.844961166381836, "alpha": 90, "beta": 90, "gamma": 120 }
194
YbAu3
hard_negative
false
null
0
0.048429
-0.74827
true
[ "metallic" ]
null
mp-980038
[ "Ru", "Tl" ]
[ 81, 81, 81, 81, 81, 81, 44, 44 ]
8
2
[ [ 0.3447990119457245, 0.17239950597286224, 0.75 ], [ 0.8276004791259766, 0.17239950597286224, 0.75 ], [ 0.8276004791259766, 0.6552010178565979, 0.75 ], [ 0.6552010178565979, 0.8276004791259766, 0.25 ], [ 0.17239950597286224, 0.8276004791259766, 0.25 ], [ 0.17239950597286224, 0.3447990119457245, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.380996227264404, "b": 6.380996227264404, "c": 5.298245906829834, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tl3Ru
hard_negative
false
null
0
0.652726
0.652726
true
[ "metallic" ]
null
mp-980061
[ "As", "Tb" ]
[ 65, 65, 33, 33, 33, 33, 33, 33 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.371071994304657, 0.1855359971523285, 0.75 ], [ 0.8144639730453491, 0.1855359971523285, 0.75 ], [ 0.8144639730453491, 0.628928005695343, 0.75 ], [ 0.628928005695343, 0.8144639730453491, 0.25 ], [ 0.1855359971523285, 0.8144639730453491, 0.25 ], [ 0.1855359971523285, 0.371071994304657, 0.25 ] ]
{ "a": 6.014998435974121, "b": 6.014998435974121, "c": 5.5835747718811035, "alpha": 90, "beta": 90, "gamma": 120 }
194
TbAs3
hard_negative
false
null
0
0.268601
-0.641216
true
[ "metallic" ]
null
mp-980109
[ "Sn", "Au" ]
[ 50, 50, 79, 79, 79, 79, 79, 79 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16524916887283325, 0.3304983377456665, 0.25 ], [ 0.6695016622543335, 0.8347508311271667, 0.25 ], [ 0.16524916887283325, 0.8347508311271667, 0.25 ], [ 0.8347508311271667, 0.6695016622543335, 0.75 ], [ 0.3304983377456665, 0.16524916887283325, 0.75 ], [ 0.8347508311271667, 0.16524916887283325, 0.75 ] ]
{ "a": 5.864640235900879, "b": 5.864640235900879, "c": 5.143099784851074, "alpha": 90, "beta": 90, "gamma": 120 }
194
SnAu3
hard_negative
false
null
0
0.066113
-0.005658
true
[ "metallic" ]
null
mp-980200
[ "Zn", "Rh" ]
[ 30, 30, 30, 30, 30, 30, 45, 45 ]
8
2
[ [ 0.16860461235046387, 0.33720922470092773, 0.25 ], [ 0.6627907752990723, 0.8313953876495361, 0.25 ], [ 0.16860461235046387, 0.8313953876495361, 0.25 ], [ 0.8313953876495361, 0.6627907752990723, 0.75 ], [ 0.33720922470092773, 0.16860461235046387, 0.75 ], [ 0.8313953876495361, 0.16860461235046387, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 5.355210304260254, "b": 5.355210304260254, "c": 4.344949245452881, "alpha": 90, "beta": 90, "gamma": 120 }
194
Zn3Rh
hard_negative
false
null
0
0.005578
-0.34694
true
[ "metallic" ]
null
mp-980429
[ "Sm", "Hg" ]
[ 62, 62, 62, 62, 62, 62, 80, 80 ]
8
2
[ [ 0.17579405009746552, 0.35158810019493103, 0.25 ], [ 0.6484119296073914, 0.8242059350013733, 0.25 ], [ 0.17579405009746552, 0.8242059350013733, 0.25 ], [ 0.8242059350013733, 0.6484119296073914, 0.75 ], [ 0.35158810019493103, 0.17579405009746552, 0.75 ], [ 0.8242059350013733, 0.17579405009746552, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 6.999099254608154, "b": 6.999099254608154, "c": 5.475268840789795, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sm3Hg
hard_negative
false
null
0
0
-0.222143
true
[ "metallic" ]
null
mp-980660
[ "Mg", "Tm" ]
[ 69, 69, 69, 69, 69, 69, 12, 12 ]
8
2
[ [ 0.16915260255336761, 0.33830520510673523, 0.25 ], [ 0.16915260255336761, 0.8308473825454712, 0.25 ], [ 0.6616948246955872, 0.8308473825454712, 0.25 ], [ 0.33830520510673523, 0.16915260255336761, 0.75 ], [ 0.8308473825454712, 0.16915260255336761, 0.75 ], [ 0.8308473825454712, 0.6616948246955872, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.89600133895874, "b": 6.89600133895874, "c": 5.500317096710205, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tm3Mg
hard_negative
false
null
0
0.0483
0.006878
true
[ "metallic" ]
null
mp-980667
[ "Br", "Sr" ]
[ 38, 38, 35, 35, 35, 35, 35, 35 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.34539398550987244, 0.17269699275493622, 0.75 ], [ 0.8273029923439026, 0.17269699275493622, 0.75 ], [ 0.8273029923439026, 0.6546059846878052, 0.75 ], [ 0.6546059846878052, 0.8273029923439026, 0.25 ], [ 0.17269699275493622, 0.8273029923439026, 0.25 ], [ 0.17269699275493622, 0.34539398550987244, 0.25 ] ]
{ "a": 6.764062404632568, "b": 6.764062404632568, "c": 6.024258136749268, "alpha": 90, "beta": 90, "gamma": 120 }
194
SrBr3
hard_negative
false
null
0
0.188862
-1.690155
true
[ "halide", "metallic" ]
null
mp-980750
[ "As", "Y" ]
[ 39, 39, 33, 33, 33, 33, 33, 33 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.37219399213790894, 0.18609699606895447, 0.75 ], [ 0.8139029741287231, 0.18609699606895447, 0.75 ], [ 0.8139029741287231, 0.6278060078620911, 0.75 ], [ 0.6278060078620911, 0.8139029741287231, 0.25 ], [ 0.18609699606895447, 0.8139029741287231, 0.25 ], [ 0.18609699606895447, 0.37219399213790894, 0.25 ] ]
{ "a": 6.025543689727783, "b": 6.025543689727783, "c": 5.566368103027344, "alpha": 90, "beta": 90, "gamma": 120 }
194
YAs3
hard_negative
false
null
0
0.285011
-0.624048
true
[ "metallic" ]
null
mp-980944
[ "Y", "Yb" ]
[ 70, 70, 70, 70, 70, 70, 39, 39 ]
8
2
[ [ 0.33075448870658875, 0.16537724435329437, 0.75 ], [ 0.8346227407455444, 0.16537724435329437, 0.75 ], [ 0.8346227407455444, 0.6692454814910889, 0.75 ], [ 0.6692454814910889, 0.8346227407455444, 0.25 ], [ 0.16537724435329437, 0.8346227407455444, 0.25 ], [ 0.16537724435329437, 0.33075448870658875, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.158139705657959, "b": 7.158139705657959, "c": 5.519337177276611, "alpha": 90, "beta": 90, "gamma": 120 }
194
Yb3Y
hard_negative
false
null
0
0.002564
0.002564
true
[ "metallic" ]
null
mp-981249
[ "Y", "Tm" ]
[ 39, 39, 39, 39, 39, 39, 69, 69 ]
8
2
[ [ 0.1678244024515152, 0.3356488049030304, 0.25 ], [ 0.664351224899292, 0.832175612449646, 0.25 ], [ 0.1678244024515152, 0.832175612449646, 0.25 ], [ 0.832175612449646, 0.664351224899292, 0.75 ], [ 0.3356488049030304, 0.1678244024515152, 0.75 ], [ 0.832175612449646, 0.1678244024515152, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 7.227336406707764, "b": 7.227336406707764, "c": 5.822317600250244, "alpha": 90, "beta": 90, "gamma": 120 }
194
Y3Tm
hard_negative
false
null
0
0
-0.001166
true
[ "metallic" ]
null
mp-981310
[ "Ge", "Tl" ]
[ 81, 81, 81, 81, 81, 81, 32, 32 ]
8
2
[ [ 0.34579798579216003, 0.17289899289608002, 0.75 ], [ 0.8271009922027588, 0.17289899289608002, 0.75 ], [ 0.8271009922027588, 0.6542019844055176, 0.75 ], [ 0.6542019844055176, 0.8271009922027588, 0.25 ], [ 0.17289899289608002, 0.8271009922027588, 0.25 ], [ 0.17289899289608002, 0.34579798579216003, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.047539710998535, "b": 7.047539710998535, "c": 5.3499908447265625, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tl3Ge
hard_negative
false
null
0
0.168976
0.168976
true
[ "metallic" ]
null
mp-981364
[ "Sm", "Yb" ]
[ 70, 70, 62, 62, 62, 62, 62, 62 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.33670201897621155, 0.16835100948810577, 0.75 ], [ 0.8316490054130554, 0.16835100948810577, 0.75 ], [ 0.8316490054130554, 0.6632980108261108, 0.75 ], [ 0.6632980108261108, 0.8316490054130554, 0.25 ], [ 0.16835100948810577, 0.8316490054130554, 0.25 ], [ 0.16835100948810577, 0.33670201897621155, 0.25 ] ]
{ "a": 7.334608554840088, "b": 7.334608554840088, "c": 5.7526936531066895, "alpha": 90, "beta": 90, "gamma": 120 }
194
YbSm3
hard_negative
false
null
0
0.00831
0.006505
true
[ "metallic" ]
null
mp-981375
[ "Mg", "Hf" ]
[ 72, 72, 12, 12, 12, 12, 12, 12 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3356730043888092, 0.1678365021944046, 0.75 ], [ 0.8321635127067566, 0.1678365021944046, 0.75 ], [ 0.8321635127067566, 0.6643270254135132, 0.75 ], [ 0.1678365021944046, 0.3356730043888092, 0.25 ], [ 0.1678365021944046, 0.8321635127067566, 0.25 ], [ 0.6643270254135132, 0.8321635127067566, 0.25 ] ]
{ "a": 6.309974193572998, "b": 6.309974193572998, "c": 5.031020164489746, "alpha": 90, "beta": 90, "gamma": 120 }
194
HfMg3
hard_negative
false
null
0
0.173282
0.173282
true
[ "metallic" ]
null
mp-981549
[ "Y", "Th" ]
[ 39, 39, 39, 39, 39, 39, 90, 90 ]
8
2
[ [ 0.16812951862812042, 0.33625903725624084, 0.25 ], [ 0.6637409925460815, 0.8318704962730408, 0.25 ], [ 0.16812951862812042, 0.8318704962730408, 0.25 ], [ 0.8318704962730408, 0.6637409925460815, 0.75 ], [ 0.33625903725624084, 0.16812951862812042, 0.75 ], [ 0.8318704962730408, 0.16812951862812042, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 7.289078712463379, "b": 7.289078712463379, "c": 5.825890064239502, "alpha": 90, "beta": 90, "gamma": 120 }
194
Y3Th
hard_negative
false
null
0
0.075502
0.075502
true
[ "metallic" ]
null
mp-981563
[ "Pm", "Yb" ]
[ 70, 70, 61, 61, 61, 61, 61, 61 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3371344208717346, 0.1685672104358673, 0.75 ], [ 0.8314327597618103, 0.1685672104358673, 0.75 ], [ 0.8314327597618103, 0.6628655791282654, 0.75 ], [ 0.6628655791282654, 0.8314327597618103, 0.25 ], [ 0.1685672104358673, 0.8314327597618103, 0.25 ], [ 0.1685672104358673, 0.3371344208717346, 0.25 ] ]
{ "a": 7.370787143707275, "b": 7.370787143707275, "c": 5.741207122802734, "alpha": 90, "beta": 90, "gamma": 120 }
194
YbPm3
hard_negative
false
null
0
0.014246
0.014246
true
[ "metallic" ]
null
mp-981748
[ "Ag", "Tb" ]
[ 65, 65, 47, 47, 47, 47, 47, 47 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.1551354080438614, 0.3102708160877228, 0.25 ], [ 0.6897291541099548, 0.8448646068572998, 0.25 ], [ 0.1551354080438614, 0.8448646068572998, 0.25 ], [ 0.8448646068572998, 0.6897291541099548, 0.75 ], [ 0.3102708160877228, 0.1551354080438614, 0.75 ], [ 0.8448646068572998, 0.1551354080438614, 0.75 ] ]
{ "a": 6.280534744262695, "b": 6.280534744262695, "c": 4.814937591552734, "alpha": 90, "beta": 90, "gamma": 120 }
194
TbAg3
hard_negative
false
null
0
0.051268
-0.208986
true
[ "metallic" ]
null
mp-982013
[ "Sr", "Tm" ]
[ 38, 38, 38, 38, 38, 38, 69, 69 ]
8
2
[ [ 0.3436709940433502, 0.1718354970216751, 0.75 ], [ 0.8281645178794861, 0.1718354970216751, 0.75 ], [ 0.8281645178794861, 0.6563289761543274, 0.75 ], [ 0.6563289761543274, 0.8281645178794861, 0.25 ], [ 0.1718354970216751, 0.8281645178794861, 0.25 ], [ 0.1718354970216751, 0.3436709940433502, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 8.04819393157959, "b": 8.04819393157959, "c": 6.578367233276367, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sr3Tm
hard_negative
false
null
0
0.229104
0.229104
true
[ "metallic" ]
null
mp-982016
[ "Ga", "Tm" ]
[ 69, 69, 69, 69, 69, 69, 31, 31 ]
8
2
[ [ 0.3470430076122284, 0.1735215038061142, 0.75 ], [ 0.8264784812927246, 0.1735215038061142, 0.75 ], [ 0.8264784812927246, 0.652957022190094, 0.75 ], [ 0.652957022190094, 0.8264784812927246, 0.25 ], [ 0.1735215038061142, 0.8264784812927246, 0.25 ], [ 0.1735215038061142, 0.3470430076122284, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.676209926605225, "b": 6.676209926605225, "c": 5.223805904388428, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tm3Ga
hard_negative
false
null
0
0.101288
-0.302525
true
[ "metallic" ]
null
mp-982044
[ "Zn", "Sm" ]
[ 62, 62, 62, 62, 62, 62, 30, 30 ]
8
2
[ [ 0.353316992521286, 0.176658496260643, 0.75 ], [ 0.8233414888381958, 0.176658496260643, 0.75 ], [ 0.8233414888381958, 0.6466829776763916, 0.75 ], [ 0.6466829776763916, 0.8233414888381958, 0.25 ], [ 0.176658496260643, 0.8233414888381958, 0.25 ], [ 0.176658496260643, 0.353316992521286, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.981429576873779, "b": 6.981429576873779, "c": 5.3003058433532715, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sm3Zn
hard_negative
false
null
0
0.122644
-0.042215
true
[ "metallic" ]
null
mp-982064
[ "Br", "Tl" ]
[ 81, 81, 81, 81, 81, 81, 35, 35 ]
8
2
[ [ 0.33473700284957886, 0.16736850142478943, 0.75 ], [ 0.832631528377533, 0.16736850142478943, 0.75 ], [ 0.832631528377533, 0.6652629971504211, 0.75 ], [ 0.6652629971504211, 0.832631528377533, 0.25 ], [ 0.16736850142478943, 0.832631528377533, 0.25 ], [ 0.16736850142478943, 0.33473700284957886, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.978886127471924, "b": 6.978886127471924, "c": 6.269834995269775, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tl3Br
hard_negative
false
null
0
0.176553
-0.398958
true
[ "halide", "metallic" ]
null
mp-982243
[ "Y", "Sn" ]
[ 39, 39, 39, 39, 39, 39, 50, 50 ]
8
2
[ [ 0.34229400753974915, 0.17114700376987457, 0.75 ], [ 0.8288530111312866, 0.17114700376987457, 0.75 ], [ 0.8288530111312866, 0.6577060222625732, 0.75 ], [ 0.6577060222625732, 0.8288530111312866, 0.25 ], [ 0.17114700376987457, 0.8288530111312866, 0.25 ], [ 0.17114700376987457, 0.34229400753974915, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.880671977996826, "b": 6.880671977996826, "c": 5.600688934326172, "alpha": 90, "beta": 90, "gamma": 120 }
194
Y3Sn
hard_negative
false
null
0
0.121179
-0.374432
true
[ "metallic" ]
null
mp-982244
[ "H", "Pa" ]
[ 91, 91, 91, 91, 91, 91, 1, 1 ]
8
2
[ [ 0.378493994474411, 0.1892469972372055, 0.75 ], [ 0.8107529878616333, 0.1892469972372055, 0.75 ], [ 0.8107529878616333, 0.6215059757232666, 0.75 ], [ 0.6215059757232666, 0.8107529878616333, 0.25 ], [ 0.1892469972372055, 0.8107529878616333, 0.25 ], [ 0.1892469972372055, 0.378493994474411, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.910436153411865, "b": 6.910436153411865, "c": 3.8449440002441406, "alpha": 90, "beta": 90, "gamma": 120 }
194
Pa3H
hard_negative
false
null
0
0.664727
0.523777
true
[ "metallic" ]
null
mp-982321
[ "Yb", "W" ]
[ 70, 70, 70, 70, 70, 70, 74, 74 ]
8
2
[ [ 0.3436921536922455, 0.17184607684612274, 0.75 ], [ 0.8281539082527161, 0.17184607684612274, 0.75 ], [ 0.8281539082527161, 0.6563078165054321, 0.75 ], [ 0.6563078165054321, 0.8281539082527161, 0.25 ], [ 0.17184607684612274, 0.8281539082527161, 0.25 ], [ 0.17184607684612274, 0.3436921536922455, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.553484916687012, "b": 6.553484916687012, "c": 5.120655536651611, "alpha": 90, "beta": 90, "gamma": 120 }
194
Yb3W
hard_negative
false
null
0
0.320694
0.320694
true
[ "metallic" ]
null
mp-982377
[ "Nd", "Yb" ]
[ 70, 70, 60, 60, 60, 60, 60, 60 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3375116288661957, 0.16875581443309784, 0.75 ], [ 0.831244170665741, 0.16875581443309784, 0.75 ], [ 0.831244170665741, 0.6624884009361267, 0.75 ], [ 0.6624884009361267, 0.831244170665741, 0.25 ], [ 0.16875581443309784, 0.831244170665741, 0.25 ], [ 0.16875581443309784, 0.3375116288661957, 0.25 ] ]
{ "a": 7.413564682006836, "b": 7.413564682006836, "c": 5.788166522979736, "alpha": 90, "beta": 90, "gamma": 120 }
194
YbNd3
hard_negative
false
null
0
0.019074
0.019074
true
[ "metallic" ]
null
mp-982557
[ "Ga", "Ho" ]
[ 67, 67, 31, 31, 31, 31, 31, 31 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.14602361619472504, 0.2920472323894501, 0.25 ], [ 0.7079527974128723, 0.8539763689041138, 0.25 ], [ 0.14602361619472504, 0.8539763689041138, 0.25 ], [ 0.8539763689041138, 0.7079527974128723, 0.75 ], [ 0.2920472323894501, 0.14602361619472504, 0.75 ], [ 0.8539763689041138, 0.14602361619472504, 0.75 ] ]
{ "a": 6.22579288482666, "b": 6.22579288482666, "c": 4.479467391967773, "alpha": 90, "beta": 90, "gamma": 120 }
194
HoGa3
hard_negative
false
null
0
0
-0.55943
true
[ "metallic" ]
null
mp-982619
[ "Ho", "Tm" ]
[ 67, 67, 67, 67, 67, 67, 69, 69 ]
8
2
[ [ 0.16687119007110596, 0.3337423801422119, 0.25 ], [ 0.6662576198577881, 0.833128809928894, 0.25 ], [ 0.16687119007110596, 0.833128809928894, 0.25 ], [ 0.833128809928894, 0.6662576198577881, 0.75 ], [ 0.3337423801422119, 0.16687119007110596, 0.75 ], [ 0.833128809928894, 0.16687119007110596, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 7.19903039932251, "b": 7.19903039932251, "c": 5.5356035232543945, "alpha": 90, "beta": 90, "gamma": 120 }
194
Ho3Tm
hard_negative
false
null
0
0.008873
0.002351
true
[ "metallic" ]
null
mp-982729
[ "Sm", "Np" ]
[ 62, 62, 62, 62, 62, 62, 93, 93 ]
8
2
[ [ 0.33862701058387756, 0.16931350529193878, 0.75 ], [ 0.8306865096092224, 0.16931350529193878, 0.75 ], [ 0.8306865096092224, 0.6613730192184448, 0.75 ], [ 0.6613730192184448, 0.8306865096092224, 0.25 ], [ 0.16931350529193878, 0.8306865096092224, 0.25 ], [ 0.16931350529193878, 0.33862701058387756, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.194187641143799, "b": 7.194187641143799, "c": 5.730751037597656, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sm3Np
hard_negative
false
null
0
0.380203
0.380203
true
[ "metallic" ]
null
mp-982778
[ "Zn", "Se" ]
[ 30, 30, 30, 30, 30, 30, 34, 34 ]
8
2
[ [ 0.31904900074005127, 0.15952450037002563, 0.75 ], [ 0.8404754996299744, 0.15952450037002563, 0.75 ], [ 0.8404754996299744, 0.6809509992599487, 0.75 ], [ 0.6809509992599487, 0.8404754996299744, 0.25 ], [ 0.15952450037002563, 0.8404754996299744, 0.25 ], [ 0.15952450037002563, 0.31904900074005127, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 5.880620002746582, "b": 5.880620002746582, "c": 4.785090923309326, "alpha": 90, "beta": 90, "gamma": 120 }
194
Zn3Se
hard_negative
false
null
0
0.493525
0.017745
true
[ "metallic" ]
null
mp-982981
[ "Na", "Rh" ]
[ 11, 11, 11, 11, 11, 11, 45, 45 ]
8
2
[ [ 0.35493698716163635, 0.17746849358081818, 0.75 ], [ 0.822531521320343, 0.17746849358081818, 0.75 ], [ 0.822531521320343, 0.6450629830360413, 0.75 ], [ 0.6450629830360413, 0.822531521320343, 0.25 ], [ 0.17746849358081818, 0.822531521320343, 0.25 ], [ 0.17746849358081818, 0.35493698716163635, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.358475685119629, "b": 6.358475685119629, "c": 5.213929176330566, "alpha": 90, "beta": 90, "gamma": 120 }
194
Na3Rh
hard_negative
false
null
0
0.371893
0.371893
true
[ "metallic" ]
null
mp-983152
[ "Li", "Re" ]
[ 3, 3, 3, 3, 3, 3, 75, 75 ]
8
2
[ [ 0.3391979932785034, 0.1695989966392517, 0.75 ], [ 0.8304010033607483, 0.1695989966392517, 0.75 ], [ 0.8304010033607483, 0.6608020067214966, 0.75 ], [ 0.6608020067214966, 0.8304010033607483, 0.25 ], [ 0.1695989966392517, 0.8304010033607483, 0.25 ], [ 0.1695989966392517, 0.3391979932785034, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 5.415116310119629, "b": 5.415116310119629, "c": 4.517162799835205, "alpha": 90, "beta": 90, "gamma": 120 }
194
Li3Re
hard_negative
true
6
0
0.835999
0.835999
true
[ "li", "metallic" ]
null
mp-983235
[ "Tl", "Pb" ]
[ 81, 81, 81, 81, 81, 81, 82, 82 ]
8
2
[ [ 0.8324770331382751, 0.16752299666404724, 0.75 ], [ 0.3350459933280945, 0.16752299666404724, 0.75 ], [ 0.8324770331382751, 0.6649540066719055, 0.75 ], [ 0.16752299666404724, 0.8324770331382751, 0.25 ], [ 0.6649540066719055, 0.8324770331382751, 0.25 ], [ 0.16752299666404724, 0.3350459933280945, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.081437587738037, "b": 7.081437587738037, "c": 5.590282917022705, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tl3Pb
hard_negative
false
null
0
0.011133
0.011133
true
[ "metallic" ]
null
mp-983407
[ "H", "Pd" ]
[ 1, 1, 46, 46, 46, 46, 46, 46 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.34887999296188354, 0.17443999648094177, 0.75 ], [ 0.8255599737167358, 0.17443999648094177, 0.75 ], [ 0.8255599737167358, 0.6511200070381165, 0.75 ], [ 0.6511200070381165, 0.8255599737167358, 0.25 ], [ 0.17443999648094177, 0.8255599737167358, 0.25 ], [ 0.17443999648094177, 0.34887999296188354, 0.25 ] ]
{ "a": 5.550725936889648, "b": 5.550725936889648, "c": 4.081002235412598, "alpha": 90, "beta": 90, "gamma": 120 }
194
HPd3
hard_negative
false
null
0
0.528606
0.483932
true
[ "metallic" ]
null
mp-983445
[ "Na", "Pt" ]
[ 11, 11, 11, 11, 11, 11, 78, 78 ]
8
2
[ [ 0.35645198822021484, 0.17822599411010742, 0.75 ], [ 0.8217740058898926, 0.17822599411010742, 0.75 ], [ 0.8217740058898926, 0.6435480117797852, 0.75 ], [ 0.6435480117797852, 0.8217740058898926, 0.25 ], [ 0.17822599411010742, 0.8217740058898926, 0.25 ], [ 0.17822599411010742, 0.35645198822021484, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.380660057067871, "b": 6.380660057067871, "c": 5.158949851989746, "alpha": 90, "beta": 90, "gamma": 120 }
194
Na3Pt
hard_negative
false
null
0
0.101913
-0.07107
true
[ "metallic" ]
null
mp-983458
[ "Cl", "Tl" ]
[ 81, 81, 81, 81, 81, 81, 17, 17 ]
8
2
[ [ 0.33649399876594543, 0.16824699938297272, 0.75 ], [ 0.8317530155181885, 0.16824699938297272, 0.75 ], [ 0.8317530155181885, 0.6635059714317322, 0.75 ], [ 0.6635059714317322, 0.8317530155181885, 0.25 ], [ 0.16824699938297272, 0.8317530155181885, 0.25 ], [ 0.16824699938297272, 0.33649399876594543, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.861785888671875, "b": 6.861785888671875, "c": 6.163691997528076, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tl3Cl
hard_negative
false
null
0
0.197982
-0.464927
true
[ "halide", "metallic" ]
null
mp-983479
[ "Si", "Sm" ]
[ 62, 62, 62, 62, 62, 62, 14, 14 ]
8
2
[ [ 0.3598470091819763, 0.17992350459098816, 0.75 ], [ 0.8200765252113342, 0.17992350459098816, 0.75 ], [ 0.8200765252113342, 0.6401529908180237, 0.75 ], [ 0.6401529908180237, 0.8200765252113342, 0.25 ], [ 0.17992350459098816, 0.8200765252113342, 0.25 ], [ 0.17992350459098816, 0.3598470091819763, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.935640335083008, "b": 6.935640335083008, "c": 5.075284957885742, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sm3Si
hard_negative
false
null
0
0.159887
-0.306616
true
[ "metallic" ]
null
mp-983509
[ "Na", "Cd" ]
[ 11, 11, 11, 11, 11, 11, 48, 48 ]
8
2
[ [ 0.17411856353282928, 0.34823712706565857, 0.25 ], [ 0.651762843132019, 0.8258814215660095, 0.25 ], [ 0.17411856353282928, 0.8258814215660095, 0.25 ], [ 0.8258814215660095, 0.651762843132019, 0.75 ], [ 0.34823712706565857, 0.17411856353282928, 0.75 ], [ 0.8258814215660095, 0.17411856353282928, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 6.971323490142822, "b": 6.971323490142822, "c": 5.615610599517822, "alpha": 90, "beta": 90, "gamma": 120 }
194
Na3Cd
hard_negative
false
null
0
0.00322
-0.014539
true
[ "metallic" ]
null
mp-983550
[ "Nb", "Pa" ]
[ 91, 91, 91, 91, 91, 91, 41, 41 ]
8
2
[ [ 0.34564098715782166, 0.17282049357891083, 0.75 ], [ 0.827179491519928, 0.17282049357891083, 0.75 ], [ 0.827179491519928, 0.654358983039856, 0.75 ], [ 0.654358983039856, 0.827179491519928, 0.25 ], [ 0.17282049357891083, 0.827179491519928, 0.25 ], [ 0.17282049357891083, 0.34564098715782166, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.237208366394043, "b": 6.237208366394043, "c": 5.609166145324707, "alpha": 90, "beta": 90, "gamma": 120 }
194
Pa3Nb
hard_negative
false
null
0
0.175583
0.175583
true
[ "metallic" ]
null
mp-983562
[ "Na", "Nd" ]
[ 11, 11, 11, 11, 11, 11, 60, 60 ]
8
2
[ [ 0.16137400269508362, 0.32274800539016724, 0.25 ], [ 0.16137400269508362, 0.8386260271072388, 0.25 ], [ 0.32274800539016724, 0.16137400269508362, 0.75 ], [ 0.6772519946098328, 0.8386260271072388, 0.25 ], [ 0.8386260271072388, 0.6772519946098328, 0.75 ], [ 0.8386260271072388, 0.16137400269508362, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.383930206298828, "b": 7.383930206298828, "c": 5.875308036804199, "alpha": 90, "beta": 90, "gamma": 120 }
194
Na3Nd
hard_negative
false
null
0
0.316944
0.316944
true
[ "metallic" ]
null
mp-983567
[ "Ca", "Ac" ]
[ 20, 20, 89, 89, 89, 89, 89, 89 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16790512204170227, 0.33581024408340454, 0.25 ], [ 0.6641897559165955, 0.8320949077606201, 0.25 ], [ 0.16790512204170227, 0.8320949077606201, 0.25 ], [ 0.8320949077606201, 0.6641897559165955, 0.75 ], [ 0.33581024408340454, 0.16790512204170227, 0.75 ], [ 0.8320949077606201, 0.16790512204170227, 0.75 ] ]
{ "a": 8.05192756652832, "b": 8.05192756652832, "c": 6.608949661254883, "alpha": 90, "beta": 90, "gamma": 120 }
194
CaAc3
hard_negative
false
null
0
0.027833
0.027833
true
[ "metallic" ]
null
mp-983582
[ "Ca", "Nd" ]
[ 20, 20, 60, 60, 60, 60, 60, 60 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.32813000679016113, 0.16406500339508057, 0.75 ], [ 0.8359349966049194, 0.16406500339508057, 0.75 ], [ 0.8359349966049194, 0.6718699932098389, 0.75 ], [ 0.6718699932098389, 0.8359349966049194, 0.25 ], [ 0.16406500339508057, 0.8359349966049194, 0.25 ], [ 0.16406500339508057, 0.32813000679016113, 0.25 ] ]
{ "a": 7.483453750610352, "b": 7.483453750610352, "c": 6.0118608474731445, "alpha": 90, "beta": 90, "gamma": 120 }
194
CaNd3
hard_negative
false
null
0
0.089137
0.089137
true
[ "metallic" ]
null
mp-983607
[ "V", "Cd" ]
[ 23, 23, 23, 23, 23, 23, 48, 48 ]
8
2
[ [ 0.3019990026950836, 0.1509995013475418, 0.75 ], [ 0.8490005135536194, 0.1509995013475418, 0.75 ], [ 0.8490005135536194, 0.6980010271072388, 0.75 ], [ 0.6980010271072388, 0.8490005135536194, 0.25 ], [ 0.1509995013475418, 0.8490005135536194, 0.25 ], [ 0.1509995013475418, 0.3019990026950836, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 5.65568208694458, "b": 5.65568208694458, "c": 4.485405921936035, "alpha": 90, "beta": 90, "gamma": 120 }
194
V3Cd
hard_negative
false
null
0
0.332783
0.332783
true
[ "metallic" ]
null
mp-984100
[ "P", "Pb" ]
[ 15, 15, 82, 82, 82, 82, 82, 82 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.17126700282096863, 0.34253400564193726, 0.25 ], [ 0.17126700282096863, 0.8287330269813538, 0.25 ], [ 0.6574659943580627, 0.8287330269813538, 0.25 ], [ 0.8287330269813538, 0.6574659943580627, 0.75 ], [ 0.8287330269813538, 0.17126700282096863, 0.75 ], [ 0.34253400564193726, 0.17126700282096863, 0.75 ] ]
{ "a": 6.699375629425049, "b": 6.699375629425049, "c": 5.742342948913574, "alpha": 90, "beta": 90, "gamma": 120 }
194
PPb3
hard_negative
false
null
0
0.259414
0.250683
true
[ "metallic" ]
null
mp-984102
[ "H", "Fe" ]
[ 26, 26, 26, 26, 26, 26, 1, 1 ]
8
2
[ [ 0.34545400738716125, 0.17272700369358063, 0.75 ], [ 0.8272730112075806, 0.17272700369358063, 0.75 ], [ 0.8272730112075806, 0.6545460224151611, 0.75 ], [ 0.6545460224151611, 0.8272730112075806, 0.25 ], [ 0.17272700369358063, 0.8272730112075806, 0.25 ], [ 0.17272700369358063, 0.34545400738716125, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 5.152725696563721, "b": 5.152725696563721, "c": 3.6130878925323486, "alpha": 90, "beta": 90, "gamma": 120 }
194
Fe3H
hard_negative
false
null
0
0.600378
0.566751
true
[ "metallic" ]
null
mp-984106
[ "Na", "Re" ]
[ 11, 11, 11, 11, 11, 11, 75, 75 ]
8
2
[ [ 0.34789299964904785, 0.17394649982452393, 0.75 ], [ 0.8260535001754761, 0.17394649982452393, 0.75 ], [ 0.8260535001754761, 0.6521070003509521, 0.75 ], [ 0.6521070003509521, 0.8260535001754761, 0.25 ], [ 0.17394649982452393, 0.8260535001754761, 0.25 ], [ 0.17394649982452393, 0.34789299964904785, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.618611812591553, "b": 6.618611812591553, "c": 5.47343111038208, "alpha": 90, "beta": 90, "gamma": 120 }
194
Na3Re
hard_negative
false
null
0
1.299978
1.299978
true
[ "metallic" ]
null
mp-984315
[ "Be", "Ni" ]
[ 4, 4, 4, 4, 4, 4, 28, 28 ]
8
2
[ [ 0.8331390023231506, 0.16686101257801056, 0.75 ], [ 0.3337220251560211, 0.16686101257801056, 0.75 ], [ 0.8331390023231506, 0.6662779450416565, 0.75 ], [ 0.16686101257801056, 0.8331390023231506, 0.25 ], [ 0.6662779450416565, 0.8331390023231506, 0.25 ], [ 0.16686101257801056, 0.3337220251560211, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 4.581920146942139, "b": 4.581920146942139, "c": 3.6859169006347656, "alpha": 90, "beta": 90, "gamma": 120 }
194
Be3Ni
hard_negative
false
null
0
0.005405
-0.278281
true
[ "metallic" ]
null
mp-984351
[ "Cu", "Ag" ]
[ 29, 29, 47, 47, 47, 47, 47, 47 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.338793009519577, 0.1693965047597885, 0.75 ], [ 0.8306034803390503, 0.1693965047597885, 0.75 ], [ 0.8306034803390503, 0.6612070202827454, 0.75 ], [ 0.6612070202827454, 0.8306034803390503, 0.25 ], [ 0.1693965047597885, 0.8306034803390503, 0.25 ], [ 0.1693965047597885, 0.338793009519577, 0.25 ] ]
{ "a": 5.746017932891846, "b": 5.746017932891846, "c": 4.639822959899902, "alpha": 90, "beta": 90, "gamma": 120 }
194
CuAg3
hard_negative
false
null
0
0.085708
0.085708
true
[ "metallic" ]
null
mp-984353
[ "As", "Au" ]
[ 33, 33, 79, 79, 79, 79, 79, 79 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3336629867553711, 0.16683149337768555, 0.75 ], [ 0.8331685066223145, 0.16683149337768555, 0.75 ], [ 0.8331685066223145, 0.6663370132446289, 0.75 ], [ 0.6663370132446289, 0.8331685066223145, 0.25 ], [ 0.16683149337768555, 0.8331685066223145, 0.25 ], [ 0.16683149337768555, 0.3336629867553711, 0.25 ] ]
{ "a": 5.958985328674316, "b": 5.958985328674316, "c": 4.8089070320129395, "alpha": 90, "beta": 90, "gamma": 120 }
194
AsAu3
hard_negative
false
null
0
0.150763
0.150763
true
[ "metallic" ]
null
mp-984358
[ "O", "Au" ]
[ 79, 79, 79, 79, 79, 79, 8, 8 ]
8
2
[ [ 0.18666699528694153, 0.37333399057388306, 0.25 ], [ 0.18666699528694153, 0.8133329749107361, 0.25 ], [ 0.6266660094261169, 0.8133329749107361, 0.25 ], [ 0.8133329749107361, 0.6266660094261169, 0.75 ], [ 0.8133329749107361, 0.18666699528694153, 0.75 ], [ 0.37333399057388306, 0.18666699528694153, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 7.458232402801514, "b": 7.458232402801514, "c": 2.9351279735565186, "alpha": 90, "beta": 90, "gamma": 120 }
194
Au3O
hard_negative
false
null
0
0.387308
0.196536
true
[ "oxide", "metallic" ]
null
mp-984359
[ "O", "Dy" ]
[ 66, 66, 8, 8, 8, 8, 8, 8 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.36204299330711365, 0.18102149665355682, 0.75 ], [ 0.818978488445282, 0.18102149665355682, 0.75 ], [ 0.818978488445282, 0.637956976890564, 0.75 ], [ 0.637956976890564, 0.818978488445282, 0.25 ], [ 0.18102149665355682, 0.818978488445282, 0.25 ], [ 0.18102149665355682, 0.36204299330711365, 0.25 ] ]
{ "a": 4.652964115142822, "b": 4.652964115142822, "c": 4.659951210021973, "alpha": 90, "beta": 90, "gamma": 120 }
194
DyO3
hard_negative
false
null
0
0.509399
-1.993754
true
[ "oxide", "metallic" ]
null
mp-984597
[ "S", "Au" ]
[ 79, 79, 79, 79, 79, 79, 16, 16 ]
8
2
[ [ 0.3325220048427582, 0.1662610024213791, 0.75 ], [ 0.8337389826774597, 0.1662610024213791, 0.75 ], [ 0.8337389826774597, 0.6674780249595642, 0.75 ], [ 0.6674780249595642, 0.8337389826774597, 0.25 ], [ 0.1662610024213791, 0.8337389826774597, 0.25 ], [ 0.1662610024213791, 0.3325220048427582, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 5.887958526611328, "b": 5.887958526611328, "c": 4.8245930671691895, "alpha": 90, "beta": 90, "gamma": 120 }
194
Au3S
hard_negative
false
null
0
0.404246
0.31549
true
[ "sulfide", "metallic" ]
null
mp-984612
[ "Be", "Ru" ]
[ 4, 4, 4, 4, 4, 4, 44, 44 ]
8
2
[ [ 0.16086560487747192, 0.32173120975494385, 0.25 ], [ 0.6782687902450562, 0.8391343951225281, 0.25 ], [ 0.16086560487747192, 0.8391343951225281, 0.25 ], [ 0.8391343951225281, 0.6782687902450562, 0.75 ], [ 0.32173120975494385, 0.16086560487747192, 0.75 ], [ 0.8391343951225281, 0.16086560487747192, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 4.77756404876709, "b": 4.77756404876709, "c": 3.756812572479248, "alpha": 90, "beta": 90, "gamma": 120 }
194
Be3Ru
hard_negative
false
null
0
0.024404
-0.310026
true
[ "metallic" ]
null
mp-984699
[ "Sr", "Ba" ]
[ 56, 56, 38, 38, 38, 38, 38, 38 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16502827405929565, 0.3300565481185913, 0.25 ], [ 0.6699434518814087, 0.8349717259407043, 0.25 ], [ 0.16502827405929565, 0.8349717259407043, 0.25 ], [ 0.8349717259407043, 0.6699434518814087, 0.75 ], [ 0.3300565481185913, 0.16502827405929565, 0.75 ], [ 0.8349717259407043, 0.16502827405929565, 0.75 ] ]
{ "a": 8.76061725616455, "b": 8.76061725616455, "c": 7.118805885314941, "alpha": 90, "beta": 90, "gamma": 120 }
194
BaSr3
hard_negative
false
null
0
0.025372
0.021909
true
[ "metallic" ]
null
mp-984725
[ "Ba", "Tl" ]
[ 56, 56, 81, 81, 81, 81, 81, 81 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.146879643201828, 0.293759286403656, 0.25 ], [ 0.706240713596344, 0.8531203866004944, 0.25 ], [ 0.146879643201828, 0.8531203866004944, 0.25 ], [ 0.8531203866004944, 0.706240713596344, 0.75 ], [ 0.293759286403656, 0.146879643201828, 0.75 ], [ 0.8531203866004944, 0.146879643201828, 0.75 ] ]
{ "a": 7.822203636169434, "b": 7.822203636169434, "c": 5.083938121795654, "alpha": 90, "beta": 90, "gamma": 120 }
194
BaTl3
hard_negative
false
null
0
0.002586
-0.289495
true
[ "metallic" ]
null
mp-984744
[ "Ca", "Tl" ]
[ 20, 20, 20, 20, 20, 20, 81, 81 ]
8
2
[ [ 0.17632734775543213, 0.35265469551086426, 0.25 ], [ 0.6473453044891357, 0.8236726522445679, 0.25 ], [ 0.17632734775543213, 0.8236726522445679, 0.25 ], [ 0.8236726522445679, 0.6473453044891357, 0.75 ], [ 0.35265469551086426, 0.17632734775543213, 0.75 ], [ 0.8236726522445679, 0.17632734775543213, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 7.375839710235596, "b": 7.375839710235596, "c": 5.568697929382324, "alpha": 90, "beta": 90, "gamma": 120 }
194
Ca3Tl
hard_negative
false
null
0
0
-0.270518
true
[ "metallic" ]
null
mp-984754
[ "Pm", "Ho" ]
[ 61, 61, 67, 67, 67, 67, 67, 67 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16526009142398834, 0.3305201828479767, 0.25 ], [ 0.6694798469543457, 0.8347399234771729, 0.25 ], [ 0.16526009142398834, 0.8347399234771729, 0.25 ], [ 0.8347399234771729, 0.6694798469543457, 0.75 ], [ 0.3305201828479767, 0.16526009142398834, 0.75 ], [ 0.8347399234771729, 0.16526009142398834, 0.75 ] ]
{ "a": 7.300995349884033, "b": 7.300995349884033, "c": 5.616143703460693, "alpha": 90, "beta": 90, "gamma": 120 }
194
PmHo3
hard_negative
false
null
0
0.011891
0.011891
true
[ "metallic" ]
null
mp-984765
[ "Te", "Ba" ]
[ 56, 56, 56, 56, 56, 56, 52, 52 ]
8
2
[ [ 0.3550879955291748, 0.1775439977645874, 0.75 ], [ 0.8224560022354126, 0.1775439977645874, 0.75 ], [ 0.8224560022354126, 0.6449120044708252, 0.75 ], [ 0.6449120044708252, 0.8224560022354126, 0.25 ], [ 0.1775439977645874, 0.8224560022354126, 0.25 ], [ 0.1775439977645874, 0.3550879955291748, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.9810638427734375, "b": 7.9810638427734375, "c": 6.237486839294434, "alpha": 90, "beta": 90, "gamma": 120 }
194
Ba3Te
hard_negative
false
null
0
0.353252
-0.648536
true
[ "metallic" ]
null
mp-984873
[ "Al", "Fe" ]
[ 13, 13, 13, 13, 13, 13, 26, 26 ]
8
2
[ [ 0.3426060080528259, 0.17130300402641296, 0.75 ], [ 0.8286970257759094, 0.17130300402641296, 0.75 ], [ 0.8286970257759094, 0.6573939919471741, 0.75 ], [ 0.6573939919471741, 0.8286970257759094, 0.25 ], [ 0.17130300402641296, 0.8286970257759094, 0.25 ], [ 0.17130300402641296, 0.3426060080528259, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 5.374975681304932, "b": 5.374975681304932, "c": 4.373848915100098, "alpha": 90, "beta": 90, "gamma": 120 }
194
Al3Fe
hard_negative
false
null
0
0.172696
-0.154062
true
[ "metallic" ]
null
mp-985284
[ "Ce", "Pa" ]
[ 58, 58, 58, 58, 58, 58, 91, 91 ]
8
2
[ [ 0.16975699365139008, 0.33951398730278015, 0.25 ], [ 0.16975699365139008, 0.8302429914474487, 0.25 ], [ 0.6604859828948975, 0.8302429914474487, 0.25 ], [ 0.8302429914474487, 0.6604859828948975, 0.75 ], [ 0.8302429914474487, 0.16975699365139008, 0.75 ], [ 0.33951398730278015, 0.16975699365139008, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 6.505978107452393, "b": 6.505978107452393, "c": 5.665678024291992, "alpha": 90, "beta": 90, "gamma": 120 }
194
Ce3Pa
hard_negative
false
null
0
0.11435
0.11435
true
[ "metallic" ]
null
mp-985287
[ "Ag", "Au" ]
[ 47, 47, 79, 79, 79, 79, 79, 79 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3345314860343933, 0.16726574301719666, 0.75 ], [ 0.832734227180481, 0.16726574301719666, 0.75 ], [ 0.832734227180481, 0.6654685139656067, 0.75 ], [ 0.6654685139656067, 0.832734227180481, 0.25 ], [ 0.16726574301719666, 0.832734227180481, 0.25 ], [ 0.16726574301719666, 0.3345314860343933, 0.25 ] ]
{ "a": 5.778217792510986, "b": 5.778217792510986, "c": 4.8629984855651855, "alpha": 90, "beta": 90, "gamma": 120 }
194
AgAu3
hard_negative
false
null
0
0.01118
-0.053705
true
[ "metallic" ]
null
mp-985288
[ "As", "W" ]
[ 33, 33, 33, 33, 33, 33, 74, 74 ]
8
2
[ [ 0.37414100766181946, 0.18707050383090973, 0.75 ], [ 0.8129295110702515, 0.18707050383090973, 0.75 ], [ 0.8129295110702515, 0.6258590221405029, 0.75 ], [ 0.6258590221405029, 0.8129295110702515, 0.25 ], [ 0.18707050383090973, 0.8129295110702515, 0.25 ], [ 0.18707050383090973, 0.37414100766181946, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.061816215515137, "b": 6.061816215515137, "c": 4.612785816192627, "alpha": 90, "beta": 90, "gamma": 120 }
194
As3W
hard_negative
false
null
0
0.663019
0.605038
true
[ "metallic" ]
null
mp-985291
[ "Hg", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 80, 80 ]
8
2
[ [ 0.35193800926208496, 0.17596900463104248, 0.75 ], [ 0.8240309953689575, 0.17596900463104248, 0.75 ], [ 0.8240309953689575, 0.648061990737915, 0.75 ], [ 0.648061990737915, 0.8240309953689575, 0.25 ], [ 0.17596900463104248, 0.8240309953689575, 0.25 ], [ 0.17596900463104248, 0.35193800926208496, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.7049560546875, "b": 7.7049560546875, "c": 5.912549018859863, "alpha": 90, "beta": 90, "gamma": 120 }
194
Ac3Hg
hard_negative
false
null
0
0.067723
-0.091357
true
[ "metallic" ]
null
mp-985294
[ "Er", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 68, 68 ]
8
2
[ [ 0.3392550051212311, 0.16962750256061554, 0.75 ], [ 0.8303725123405457, 0.16962750256061554, 0.75 ], [ 0.8303725123405457, 0.6607450246810913, 0.75 ], [ 0.6607450246810913, 0.8303725123405457, 0.25 ], [ 0.16962750256061554, 0.8303725123405457, 0.25 ], [ 0.16962750256061554, 0.3392550051212311, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.816836357116699, "b": 7.816836357116699, "c": 6.258408069610596, "alpha": 90, "beta": 90, "gamma": 120 }
194
Ac3Er
hard_negative
false
null
0
0.071818
0.071818
true
[ "metallic" ]
null
mp-985302
[ "Pr", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 59, 59 ]
8
2
[ [ 0.16825509071350098, 0.33651018142700195, 0.25 ], [ 0.663489818572998, 0.831744909286499, 0.25 ], [ 0.16825509071350098, 0.831744909286499, 0.25 ], [ 0.831744909286499, 0.663489818572998, 0.75 ], [ 0.33651018142700195, 0.16825509071350098, 0.75 ], [ 0.831744909286499, 0.16825509071350098, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 8.010202407836914, "b": 8.010202407836914, "c": 6.3588056564331055, "alpha": 90, "beta": 90, "gamma": 120 }
194
Ac3Pr
hard_negative
false
null
0
0.0178
0.0178
true
[ "metallic" ]
null
mp-985303
[ "Ac", "Th" ]
[ 89, 89, 89, 89, 89, 89, 90, 90 ]
8
2
[ [ 0.34132200479507446, 0.17066100239753723, 0.75 ], [ 0.8293390274047852, 0.17066100239753723, 0.75 ], [ 0.8293390274047852, 0.6586779952049255, 0.75 ], [ 0.6586779952049255, 0.8293390274047852, 0.25 ], [ 0.17066100239753723, 0.8293390274047852, 0.25 ], [ 0.17066100239753723, 0.34132200479507446, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.779495716094971, "b": 7.779495716094971, "c": 6.322327136993408, "alpha": 90, "beta": 90, "gamma": 120 }
194
Ac3Th
hard_negative
false
null
0
0.129703
0.129703
true
[ "metallic" ]
null
mp-985305
[ "In", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 49, 49 ]
8
2
[ [ 0.17718903720378876, 0.3543780744075775, 0.25 ], [ 0.6456218957901001, 0.82281094789505, 0.25 ], [ 0.17718903720378876, 0.82281094789505, 0.25 ], [ 0.82281094789505, 0.6456218957901001, 0.75 ], [ 0.3543780744075775, 0.17718903720378876, 0.75 ], [ 0.82281094789505, 0.17718903720378876, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 7.726781845092773, "b": 7.726781845092773, "c": 5.980658531188965, "alpha": 90, "beta": 90, "gamma": 120 }
194
Ac3In
hard_negative
false
null
0
0
-0.250224
true
[ "metallic" ]
null
mp-985437
[ "Er", "Lu" ]
[ 68, 68, 71, 71, 71, 71, 71, 71 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16625483334064484, 0.3325096666812897, 0.25 ], [ 0.6674903035163879, 0.8337451815605164, 0.25 ], [ 0.16625483334064484, 0.8337451815605164, 0.25 ], [ 0.8337451815605164, 0.6674903035163879, 0.75 ], [ 0.3325096666812897, 0.16625483334064484, 0.75 ], [ 0.8337451815605164, 0.16625483334064484, 0.75 ] ]
{ "a": 7.070101737976074, "b": 7.070101737976074, "c": 5.4647345542907715, "alpha": 90, "beta": 90, "gamma": 120 }
194
ErLu3
hard_negative
false
null
0
0.004061
0.004061
true
[ "metallic" ]
null
mp-985475
[ "Fe", "Mo" ]
[ 26, 26, 26, 26, 26, 26, 42, 42 ]
8
2
[ [ 0.16079600155353546, 0.3215920031070709, 0.25 ], [ 0.16079600155353546, 0.8392040133476257, 0.25 ], [ 0.6784080266952515, 0.8392040133476257, 0.25 ], [ 0.8392040133476257, 0.6784080266952515, 0.75 ], [ 0.8392040133476257, 0.16079600155353546, 0.75 ], [ 0.3215920031070709, 0.16079600155353546, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 5.128984451293945, "b": 5.128984451293945, "c": 4.109243869781494, "alpha": 90, "beta": 90, "gamma": 120 }
194
Fe3Mo
hard_negative
false
null
0
0.08415
0.081491
true
[ "metallic" ]
null
mp-985506
[ "Tl", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 81, 81 ]
8
2
[ [ 0.17724911868572235, 0.3544982373714447, 0.25 ], [ 0.6455017924308777, 0.8227508664131165, 0.25 ], [ 0.17724911868572235, 0.8227508664131165, 0.25 ], [ 0.8227508664131165, 0.6455017924308777, 0.75 ], [ 0.3544982373714447, 0.17724911868572235, 0.75 ], [ 0.8227508664131165, 0.17724911868572235, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 7.764830589294434, "b": 7.764830589294434, "c": 5.922165870666504, "alpha": 90, "beta": 90, "gamma": 120 }
194
Ac3Tl
hard_negative
false
null
0
0
-0.163814
true
[ "metallic" ]
null
mp-985540
[ "La", "Ac" ]
[ 89, 89, 89, 89, 89, 89, 57, 57 ]
8
2
[ [ 0.8318799138069153, 0.16812007129192352, 0.75 ], [ 0.33624014258384705, 0.16812007129192352, 0.75 ], [ 0.8318799138069153, 0.6637598872184753, 0.75 ], [ 0.16812007129192352, 0.8318799138069153, 0.25 ], [ 0.6637598872184753, 0.8318799138069153, 0.25 ], [ 0.16812007129192352, 0.33624014258384705, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 8.021584510803223, "b": 8.021584510803223, "c": 6.506244659423828, "alpha": 90, "beta": 90, "gamma": 120 }
194
Ac3La
hard_negative
false
null
0
0.024142
0.024142
true
[ "metallic" ]
null