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-1187056
[ "N", "Sn" ]
[ 50, 50, 50, 50, 50, 50, 7, 7 ]
8
2
[ [ 0.3431819975376129, 0.17159099876880646, 0.75 ], [ 0.8284090161323547, 0.17159099876880646, 0.75 ], [ 0.8284090161323547, 0.6568179726600647, 0.75 ], [ 0.6568179726600647, 0.8284090161323547, 0.25 ], [ 0.17159099876880646, 0.8284090161323547, 0.25 ], [ 0.17159099876880646, 0.3431819975376129, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.165924072265625, "b": 6.165924072265625, "c": 5.298299789428711, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sn3N
hard_negative
false
null
0
0.921124
0.921124
true
[ "metallic" ]
null
mp-1187058
[ "Ti", "Th" ]
[ 90, 90, 90, 90, 90, 90, 22, 22 ]
8
2
[ [ 0.35085800290107727, 0.17542900145053864, 0.75 ], [ 0.8245710134506226, 0.17542900145053864, 0.75 ], [ 0.8245710134506226, 0.6491420269012451, 0.75 ], [ 0.6491420269012451, 0.8245710134506226, 0.25 ], [ 0.17542900145053864, 0.8245710134506226, 0.25 ], [ 0.17542900145053864, 0.35085800290107727, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.8873820304870605, "b": 6.8873820304870605, "c": 5.644445896148682, "alpha": 90, "beta": 90, "gamma": 120 }
194
Th3Ti
hard_negative
false
null
0
0.188334
0.188334
true
[ "metallic" ]
null
mp-1187059
[ "Pt", "Th" ]
[ 90, 90, 90, 90, 90, 90, 78, 78 ]
8
2
[ [ 0.17773200571537018, 0.35546401143074036, 0.25 ], [ 0.644536018371582, 0.822268009185791, 0.25 ], [ 0.17773200571537018, 0.822268009185791, 0.25 ], [ 0.822268009185791, 0.644536018371582, 0.75 ], [ 0.35546401143074036, 0.17773200571537018, 0.75 ], [ 0.822268009185791, 0.17773200571537018, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 7.005908489227295, "b": 7.005908489227295, "c": 5.145029067993164, "alpha": 90, "beta": 90, "gamma": 120 }
194
Th3Pt
hard_negative
false
null
0
0.374532
-0.302362
true
[ "metallic" ]
null
mp-1187060
[ "V", "Th" ]
[ 90, 90, 90, 90, 90, 90, 23, 23 ]
8
2
[ [ 0.35424599051475525, 0.17712299525737762, 0.75 ], [ 0.8228769898414612, 0.17712299525737762, 0.75 ], [ 0.8228769898414612, 0.6457539796829224, 0.75 ], [ 0.6457539796829224, 0.8228769898414612, 0.25 ], [ 0.17712299525737762, 0.8228769898414612, 0.25 ], [ 0.17712299525737762, 0.35424599051475525, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.884759426116943, "b": 6.884759426116943, "c": 5.4875922203063965, "alpha": 90, "beta": 90, "gamma": 120 }
194
Th3V
hard_negative
false
null
0
0.356615
0.356615
true
[ "metallic" ]
null
mp-1187061
[ "Ta", "Th" ]
[ 90, 90, 90, 90, 90, 90, 73, 73 ]
8
2
[ [ 0.35273298621177673, 0.17636649310588837, 0.75 ], [ 0.8236334919929504, 0.17636649310588837, 0.75 ], [ 0.8236334919929504, 0.6472669839859009, 0.75 ], [ 0.6472669839859009, 0.8236334919929504, 0.25 ], [ 0.17636649310588837, 0.8236334919929504, 0.25 ], [ 0.17636649310588837, 0.35273298621177673, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.7561445236206055, "b": 6.7561445236206055, "c": 5.772393226623535, "alpha": 90, "beta": 90, "gamma": 120 }
194
Th3Ta
hard_negative
false
null
0
0.29896
0.29896
true
[ "metallic" ]
null
mp-1187062
[ "Se", "Th" ]
[ 90, 90, 90, 90, 90, 90, 34, 34 ]
8
2
[ [ 0.16990000009536743, 0.33980000019073486, 0.25 ], [ 0.16990000009536743, 0.8300999999046326, 0.25 ], [ 0.6601999998092651, 0.8300999999046326, 0.25 ], [ 0.33980000019073486, 0.16990000009536743, 0.75 ], [ 0.8300999999046326, 0.16990000009536743, 0.75 ], [ 0.8300999999046326, 0.6601999998092651, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 6.856331825256348, "b": 6.856331825256348, "c": 5.591728210449219, "alpha": 90, "beta": 90, "gamma": 120 }
194
Th3Se
hard_negative
false
null
0
0.50036
-0.360713
true
[ "metallic" ]
null
mp-1187063
[ "Nb", "Th" ]
[ 90, 90, 90, 90, 90, 90, 41, 41 ]
8
2
[ [ 0.17538000643253326, 0.35076001286506653, 0.25 ], [ 0.17538000643253326, 0.8246200084686279, 0.25 ], [ 0.6492400169372559, 0.8246200084686279, 0.25 ], [ 0.8246200084686279, 0.6492400169372559, 0.75 ], [ 0.8246200084686279, 0.17538000643253326, 0.75 ], [ 0.35076001286506653, 0.17538000643253326, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 6.7373762130737305, "b": 6.7373762130737305, "c": 5.821206092834473, "alpha": 90, "beta": 90, "gamma": 120 }
194
Th3Nb
hard_negative
false
null
0
0.262691
0.262691
true
[ "metallic" ]
null
mp-1187069
[ "Mo", "Th" ]
[ 90, 90, 90, 90, 90, 90, 42, 42 ]
8
2
[ [ 0.17622199654579163, 0.35244399309158325, 0.25 ], [ 0.17622199654579163, 0.823777973651886, 0.25 ], [ 0.6475560069084167, 0.823777973651886, 0.25 ], [ 0.823777973651886, 0.6475560069084167, 0.75 ], [ 0.823777973651886, 0.17622199654579163, 0.75 ], [ 0.35244399309158325, 0.17622199654579163, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 6.669098377227783, "b": 6.669098377227783, "c": 5.730653762817383, "alpha": 90, "beta": 90, "gamma": 120 }
194
Th3Mo
hard_negative
false
null
0
0.352057
0.352057
true
[ "metallic" ]
null
mp-1187077
[ "Rh", "Sn" ]
[ 50, 50, 45, 45, 45, 45, 45, 45 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.325671911239624, 0.162835955619812, 0.75 ], [ 0.837164044380188, 0.162835955619812, 0.75 ], [ 0.837164044380188, 0.674328088760376, 0.75 ], [ 0.674328088760376, 0.837164044380188, 0.25 ], [ 0.162835955619812, 0.837164044380188, 0.25 ], [ 0.162835955619812, 0.325671911239624, 0.25 ] ]
{ "a": 5.598989486694336, "b": 5.598989486694336, "c": 4.472457408905029, "alpha": 90, "beta": 90, "gamma": 120 }
194
SnRh3
hard_negative
false
null
0
0.01429
-0.257691
true
[ "metallic" ]
null
mp-1187083
[ "Re", "Th" ]
[ 90, 90, 90, 90, 90, 90, 75, 75 ]
8
2
[ [ 0.357246994972229, 0.1786234974861145, 0.75 ], [ 0.8213765025138855, 0.1786234974861145, 0.75 ], [ 0.8213765025138855, 0.642753005027771, 0.75 ], [ 0.642753005027771, 0.8213765025138855, 0.25 ], [ 0.1786234974861145, 0.8213765025138855, 0.25 ], [ 0.1786234974861145, 0.357246994972229, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.689921855926514, "b": 6.689921855926514, "c": 5.548313140869141, "alpha": 90, "beta": 90, "gamma": 120 }
194
Th3Re
hard_negative
false
null
0
0.362391
0.322746
true
[ "metallic" ]
null
mp-1187088
[ "Sn", "Hg" ]
[ 50, 50, 80, 80, 80, 80, 80, 80 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.33109399676322937, 0.16554699838161469, 0.75 ], [ 0.8344529867172241, 0.16554699838161469, 0.75 ], [ 0.8344529867172241, 0.6689059734344482, 0.75 ], [ 0.6689059734344482, 0.8344529867172241, 0.25 ], [ 0.16554699838161469, 0.8344529867172241, 0.25 ], [ 0.16554699838161469, 0.33109399676322937, 0.25 ] ]
{ "a": 6.835132122039795, "b": 6.835132122039795, "c": 5.215253829956055, "alpha": 90, "beta": 90, "gamma": 120 }
194
SnHg3
hard_negative
false
null
0
0.096064
0.096064
true
[ "metallic" ]
null
mp-1187093
[ "Sn", "Ir" ]
[ 50, 50, 77, 77, 77, 77, 77, 77 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.32558199763298035, 0.16279099881649017, 0.75 ], [ 0.8372089862823486, 0.16279099881649017, 0.75 ], [ 0.8372089862823486, 0.6744179725646973, 0.75 ], [ 0.6744179725646973, 0.8372089862823486, 0.25 ], [ 0.16279099881649017, 0.8372089862823486, 0.25 ], [ 0.16279099881649017, 0.32558199763298035, 0.25 ] ]
{ "a": 5.686030387878418, "b": 5.686030387878418, "c": 4.537938117980957, "alpha": 90, "beta": 90, "gamma": 120 }
194
SnIr3
hard_negative
false
null
0
0.159915
0.022549
true
[ "metallic" ]
null
mp-1187108
[ "Ru", "Sn" ]
[ 50, 50, 50, 50, 50, 50, 44, 44 ]
8
2
[ [ 0.3676869869232178, 0.1838434934616089, 0.75 ], [ 0.8161565065383911, 0.1838434934616089, 0.75 ], [ 0.8161565065383911, 0.6323130130767822, 0.75 ], [ 0.6323130130767822, 0.8161565065383911, 0.25 ], [ 0.1838434934616089, 0.8161565065383911, 0.25 ], [ 0.1838434934616089, 0.3676869869232178, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.984379768371582, "b": 6.984379768371582, "c": 4.442434787750244, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sn3Ru
hard_negative
false
null
0
0.522273
0.384358
true
[ "metallic" ]
null
mp-1187109
[ "Sr", "Ac" ]
[ 38, 38, 38, 38, 38, 38, 89, 89 ]
8
2
[ [ 0.33985498547554016, 0.16992749273777008, 0.75 ], [ 0.8300725221633911, 0.16992749273777008, 0.75 ], [ 0.8300725221633911, 0.6601449847221375, 0.75 ], [ 0.6601449847221375, 0.8300725221633911, 0.25 ], [ 0.16992749273777008, 0.8300725221633911, 0.25 ], [ 0.16992749273777008, 0.33985498547554016, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 8.371709823608398, "b": 8.371709823608398, "c": 6.745701789855957, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sr3Ac
hard_negative
false
null
0
0.09577
0.09577
true
[ "metallic" ]
null
mp-1187112
[ "Sr", "Dy" ]
[ 38, 38, 38, 38, 38, 38, 66, 66 ]
8
2
[ [ 0.34349900484085083, 0.17174950242042542, 0.75 ], [ 0.828250527381897, 0.17174950242042542, 0.75 ], [ 0.828250527381897, 0.6565009951591492, 0.75 ], [ 0.6565009951591492, 0.828250527381897, 0.25 ], [ 0.17174950242042542, 0.828250527381897, 0.25 ], [ 0.17174950242042542, 0.34349900484085083, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 8.09557819366455, "b": 8.09557819366455, "c": 6.553654193878174, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sr3Dy
hard_negative
false
null
0
0.21468
0.21468
true
[ "metallic" ]
null
mp-1187113
[ "Sr", "Er" ]
[ 38, 38, 38, 38, 38, 38, 68, 68 ]
8
2
[ [ 0.3434610068798065, 0.17173050343990326, 0.75 ], [ 0.8282694816589355, 0.17173050343990326, 0.75 ], [ 0.8282694816589355, 0.6565390229225159, 0.75 ], [ 0.6565390229225159, 0.8282694816589355, 0.25 ], [ 0.17173050343990326, 0.8282694816589355, 0.25 ], [ 0.17173050343990326, 0.3434610068798065, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 8.10078239440918, "b": 8.10078239440918, "c": 6.571191787719727, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sr3Er
hard_negative
false
null
0
0.224849
0.224849
true
[ "metallic" ]
null
mp-1187116
[ "Ca", "Sr" ]
[ 38, 38, 38, 38, 38, 38, 20, 20 ]
8
2
[ [ 0.33708828687667847, 0.16854414343833923, 0.75 ], [ 0.8314558863639832, 0.16854414343833923, 0.75 ], [ 0.8314558863639832, 0.6629117131233215, 0.75 ], [ 0.6629117131233215, 0.8314558863639832, 0.25 ], [ 0.16854414343833923, 0.8314558863639832, 0.25 ], [ 0.16854414343833923, 0.33708828687667847, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 8.438146591186523, "b": 8.438146591186523, "c": 6.890777587890625, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sr3Ca
hard_negative
false
null
0
0.005636
0.005636
true
[ "metallic" ]
null
mp-1187117
[ "Sn", "Pb" ]
[ 50, 50, 50, 50, 50, 50, 82, 82 ]
8
2
[ [ 0.3205699920654297, 0.16028499603271484, 0.75 ], [ 0.8397150039672852, 0.16028499603271484, 0.75 ], [ 0.8397150039672852, 0.6794300079345703, 0.75 ], [ 0.6794300079345703, 0.8397150039672852, 0.25 ], [ 0.16028499603271484, 0.8397150039672852, 0.25 ], [ 0.16028499603271484, 0.3205699920654297, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.692844867706299, "b": 6.692844867706299, "c": 5.833837032318115, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sn3Pb
hard_negative
false
null
0
0.200882
0.200882
true
[ "metallic" ]
null
mp-1187118
[ "Sn", "Pb" ]
[ 50, 50, 82, 82, 82, 82, 82, 82 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3372124433517456, 0.1686062216758728, 0.75 ], [ 0.8313937783241272, 0.1686062216758728, 0.75 ], [ 0.8313937783241272, 0.6627875566482544, 0.75 ], [ 0.6627875566482544, 0.8313937783241272, 0.25 ], [ 0.1686062216758728, 0.8313937783241272, 0.25 ], [ 0.1686062216758728, 0.3372124433517456, 0.25 ] ]
{ "a": 6.871701240539551, "b": 6.871701240539551, "c": 5.960959434509277, "alpha": 90, "beta": 90, "gamma": 120 }
194
SnPb3
hard_negative
false
null
0
0.089252
0.089252
true
[ "metallic" ]
null
mp-1187126
[ "Li", "Sr" ]
[ 38, 38, 38, 38, 38, 38, 3, 3 ]
8
2
[ [ 0.3395169973373413, 0.16975849866867065, 0.75 ], [ 0.8302415013313293, 0.16975849866867065, 0.75 ], [ 0.8302415013313293, 0.6604830026626587, 0.75 ], [ 0.6604830026626587, 0.8302415013313293, 0.25 ], [ 0.16975849866867065, 0.8302415013313293, 0.25 ], [ 0.16975849866867065, 0.3395169973373413, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 8.11299991607666, "b": 8.11299991607666, "c": 6.596996784210205, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sr3Li
hard_negative
true
2
0
0.072006
0.072006
true
[ "li", "metallic" ]
null
mp-1187129
[ "H", "Sr" ]
[ 38, 38, 38, 38, 38, 38, 1, 1 ]
8
2
[ [ 0.33427301049232483, 0.16713650524616241, 0.75 ], [ 0.8328635096549988, 0.16713650524616241, 0.75 ], [ 0.8328635096549988, 0.6657270193099976, 0.75 ], [ 0.6657270193099976, 0.8328635096549988, 0.25 ], [ 0.16713650524616241, 0.8328635096549988, 0.25 ], [ 0.16713650524616241, 0.33427301049232483, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.866178512573242, "b": 7.866178512573242, "c": 6.672555923461914, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sr3H
hard_negative
false
null
0
0.68131
0.438468
true
[ "metallic" ]
null
mp-1187131
[ "Sr", "Ho" ]
[ 38, 38, 38, 38, 38, 38, 67, 67 ]
8
2
[ [ 0.3434379994869232, 0.1717189997434616, 0.75 ], [ 0.8282809853553772, 0.1717189997434616, 0.75 ], [ 0.8282809853553772, 0.6565619707107544, 0.75 ], [ 0.6565619707107544, 0.8282809853553772, 0.25 ], [ 0.1717189997434616, 0.8282809853553772, 0.25 ], [ 0.1717189997434616, 0.3434379994869232, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 8.087798118591309, "b": 8.087798118591309, "c": 6.565645217895508, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sr3Ho
hard_negative
false
null
0
0.220267
0.220267
true
[ "metallic" ]
null
mp-1187132
[ "Sr", "Nd" ]
[ 38, 38, 38, 38, 38, 38, 60, 60 ]
8
2
[ [ 0.17183400690555573, 0.34366801381111145, 0.25 ], [ 0.17183400690555573, 0.8281660079956055, 0.25 ], [ 0.6563320159912109, 0.8281660079956055, 0.25 ], [ 0.8281660079956055, 0.6563320159912109, 0.75 ], [ 0.8281660079956055, 0.17183400690555573, 0.75 ], [ 0.34366801381111145, 0.17183400690555573, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 8.191447257995605, "b": 8.191447257995605, "c": 6.587409973144531, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sr3Nd
hard_negative
false
null
0
0.164179
0.164179
true
[ "metallic" ]
null
mp-1187133
[ "Fe", "Sr" ]
[ 38, 38, 38, 38, 38, 38, 26, 26 ]
8
2
[ [ 0.35668298602104187, 0.17834149301052094, 0.75 ], [ 0.8216584920883179, 0.17834149301052094, 0.75 ], [ 0.8216584920883179, 0.6433169841766357, 0.75 ], [ 0.6433169841766357, 0.8216584920883179, 0.25 ], [ 0.17834149301052094, 0.8216584920883179, 0.25 ], [ 0.17834149301052094, 0.35668298602104187, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.851848125457764, "b": 7.851848125457764, "c": 5.887357234954834, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sr3Fe
hard_negative
false
null
0
0.57164
0.57164
true
[ "metallic" ]
null
mp-1187135
[ "P", "Sr" ]
[ 38, 38, 38, 38, 38, 38, 15, 15 ]
8
2
[ [ 0.358599990606308, 0.179299995303154, 0.75 ], [ 0.8206999897956848, 0.179299995303154, 0.75 ], [ 0.8206999897956848, 0.6413999795913696, 0.75 ], [ 0.6413999795913696, 0.8206999897956848, 0.25 ], [ 0.179299995303154, 0.8206999897956848, 0.25 ], [ 0.179299995303154, 0.358599990606308, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.534121513366699, "b": 7.534121513366699, "c": 5.480463981628418, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sr3P
hard_negative
false
null
0
0.45157
-0.318771
true
[ "metallic" ]
null
mp-1187157
[ "Cl", "Sr" ]
[ 38, 38, 17, 17, 17, 17, 17, 17 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.34607601165771484, 0.17303800582885742, 0.75 ], [ 0.8269619941711426, 0.17303800582885742, 0.75 ], [ 0.8269619941711426, 0.6539239883422852, 0.75 ], [ 0.6539239883422852, 0.8269619941711426, 0.25 ], [ 0.17303800582885742, 0.8269619941711426, 0.25 ], [ 0.17303800582885742, 0.34607601165771484, 0.25 ] ]
{ "a": 6.339846134185791, "b": 6.339846134185791, "c": 5.721023082733154, "alpha": 90, "beta": 90, "gamma": 120 }
194
SrCl3
hard_negative
false
null
0
0.190995
-1.871575
true
[ "halide", "metallic" ]
null
mp-1187160
[ "Sr", "Tb" ]
[ 38, 38, 38, 38, 38, 38, 65, 65 ]
8
2
[ [ 0.34349799156188965, 0.17174899578094482, 0.75 ], [ 0.8282510042190552, 0.17174899578094482, 0.75 ], [ 0.8282510042190552, 0.6565020084381104, 0.75 ], [ 0.6565020084381104, 0.8282510042190552, 0.25 ], [ 0.17174899578094482, 0.8282510042190552, 0.25 ], [ 0.17174899578094482, 0.34349799156188965, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 8.137218475341797, "b": 8.137218475341797, "c": 6.53577184677124, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sr3Tb
hard_negative
false
null
0
0.208437
0.208437
true
[ "metallic" ]
null
mp-1187161
[ "Sr", "Pm" ]
[ 38, 38, 38, 38, 38, 38, 61, 61 ]
8
2
[ [ 0.3431850075721741, 0.17159250378608704, 0.75 ], [ 0.8284075260162354, 0.17159250378608704, 0.75 ], [ 0.8284075260162354, 0.6568149924278259, 0.75 ], [ 0.6568149924278259, 0.8284075260162354, 0.25 ], [ 0.17159250378608704, 0.8284075260162354, 0.25 ], [ 0.17159250378608704, 0.3431850075721741, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 8.179594039916992, "b": 8.179594039916992, "c": 6.563958168029785, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sr3Pm
hard_negative
false
null
0
0.177456
0.177456
true
[ "metallic" ]
null
mp-1187163
[ "Sr", "Yb" ]
[ 38, 38, 38, 38, 38, 38, 70, 70 ]
8
2
[ [ 0.3448844254016876, 0.1724422127008438, 0.75 ], [ 0.8275578022003174, 0.1724422127008438, 0.75 ], [ 0.8275578022003174, 0.6551156044006348, 0.75 ], [ 0.6551156044006348, 0.8275578022003174, 0.25 ], [ 0.1724422127008438, 0.8275578022003174, 0.25 ], [ 0.1724422127008438, 0.3448844254016876, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 8.171076774597168, "b": 8.171076774597168, "c": 6.569339275360107, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sr3Yb
hard_negative
false
null
0
0.231208
0.231208
true
[ "metallic" ]
null
mp-1187164
[ "Sr", "Ac" ]
[ 38, 38, 89, 89, 89, 89, 89, 89 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.32813701033592224, 0.16406850516796112, 0.75 ], [ 0.8359314799308777, 0.16406850516796112, 0.75 ], [ 0.8359314799308777, 0.6718630194664001, 0.75 ], [ 0.6718630194664001, 0.8359314799308777, 0.25 ], [ 0.16406850516796112, 0.8359314799308777, 0.25 ], [ 0.16406850516796112, 0.32813701033592224, 0.25 ] ]
{ "a": 8.145544052124023, "b": 8.145544052124023, "c": 6.549817085266113, "alpha": 90, "beta": 90, "gamma": 120 }
194
SrAc3
hard_negative
false
null
0
0.09052
0.09052
true
[ "metallic" ]
null
mp-1187166
[ "Sr", "Sm" ]
[ 38, 38, 38, 38, 38, 38, 62, 62 ]
8
2
[ [ 0.3441849946975708, 0.1720924973487854, 0.75 ], [ 0.8279075026512146, 0.1720924973487854, 0.75 ], [ 0.8279075026512146, 0.6558150053024292, 0.75 ], [ 0.6558150053024292, 0.8279075026512146, 0.25 ], [ 0.1720924973487854, 0.8279075026512146, 0.25 ], [ 0.1720924973487854, 0.3441849946975708, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 8.177131652832031, "b": 8.177131652832031, "c": 6.548460006713867, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sr3Sm
hard_negative
false
null
0
0.18267
0.18267
true
[ "metallic" ]
null
mp-1187167
[ "Sm", "Eu" ]
[ 62, 62, 63, 63, 63, 63, 63, 63 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.16933900117874146, 0.3386780023574829, 0.25 ], [ 0.16933900117874146, 0.8306609988212585, 0.25 ], [ 0.6613219976425171, 0.8306609988212585, 0.25 ], [ 0.8306609988212585, 0.6613219976425171, 0.75 ], [ 0.8306609988212585, 0.16933900117874146, 0.75 ], [ 0.3386780023574829, 0.16933900117874146, 0.75 ] ]
{ "a": 7.703632354736328, "b": 7.703632354736328, "c": 6.236598014831543, "alpha": 90, "beta": 90, "gamma": 120 }
194
SmEu3
hard_negative
false
null
0
0.064695
0.064695
true
[ "metallic" ]
null
mp-1187176
[ "Ca", "Sr" ]
[ 38, 38, 20, 20, 20, 20, 20, 20 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3287224769592285, 0.16436123847961426, 0.75 ], [ 0.8356387615203857, 0.16436123847961426, 0.75 ], [ 0.8356387615203857, 0.6712775230407715, 0.75 ], [ 0.6712775230407715, 0.8356387615203857, 0.25 ], [ 0.16436123847961426, 0.8356387615203857, 0.25 ], [ 0.16436123847961426, 0.3287224769592285, 0.25 ] ]
{ "a": 8.087807655334473, "b": 8.087807655334473, "c": 6.588070392608643, "alpha": 90, "beta": 90, "gamma": 120 }
194
SrCa3
hard_negative
false
null
0
0.000965
0.000965
true
[ "metallic" ]
null
mp-1187218
[ "C", "Ta" ]
[ 73, 73, 73, 73, 73, 73, 6, 6 ]
8
2
[ [ 0.3347660005092621, 0.16738300025463104, 0.75 ], [ 0.8326169848442078, 0.16738300025463104, 0.75 ], [ 0.8326169848442078, 0.6652340292930603, 0.75 ], [ 0.6652340292930603, 0.8326169848442078, 0.25 ], [ 0.16738300025463104, 0.8326169848442078, 0.25 ], [ 0.16738300025463104, 0.3347660005092621, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 5.448177814483643, "b": 5.448177814483643, "c": 4.703155994415283, "alpha": 90, "beta": 90, "gamma": 120 }
194
Ta3C
hard_negative
false
null
0
1.427167
0.917875
true
[ "metallic" ]
null
mp-1187221
[ "Sr", "Nd" ]
[ 38, 38, 60, 60, 60, 60, 60, 60 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3198780119419098, 0.1599390059709549, 0.75 ], [ 0.8400610089302063, 0.1599390059709549, 0.75 ], [ 0.8400610089302063, 0.6801220178604126, 0.75 ], [ 0.6801220178604126, 0.8400610089302063, 0.25 ], [ 0.1599390059709549, 0.8400610089302063, 0.25 ], [ 0.1599390059709549, 0.3198780119419098, 0.25 ] ]
{ "a": 7.661492347717285, "b": 7.661492347717285, "c": 6.082824230194092, "alpha": 90, "beta": 90, "gamma": 120 }
194
SrNd3
hard_negative
false
null
0
0.142788
0.142788
true
[ "metallic" ]
null
mp-1187228
[ "Sr", "Pd" ]
[ 38, 38, 46, 46, 46, 46, 46, 46 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.2998569905757904, 0.1499284952878952, 0.75 ], [ 0.8500714898109436, 0.1499284952878952, 0.75 ], [ 0.8500714898109436, 0.7001429796218872, 0.75 ], [ 0.7001429796218872, 0.8500714898109436, 0.25 ], [ 0.1499284952878952, 0.8500714898109436, 0.25 ], [ 0.1499284952878952, 0.2998569905757904, 0.25 ] ]
{ "a": 6.2548322677612305, "b": 6.2548322677612305, "c": 4.715195178985596, "alpha": 90, "beta": 90, "gamma": 120 }
194
SrPd3
hard_negative
false
null
0
0.150498
-0.353604
true
[ "metallic" ]
null
mp-1187234
[ "Sr", "Pr" ]
[ 38, 38, 59, 59, 59, 59, 59, 59 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3208000063896179, 0.16040000319480896, 0.75 ], [ 0.8396000266075134, 0.16040000319480896, 0.75 ], [ 0.8396000266075134, 0.6791999936103821, 0.75 ], [ 0.6791999936103821, 0.8396000266075134, 0.25 ], [ 0.16040000319480896, 0.8396000266075134, 0.25 ], [ 0.16040000319480896, 0.3208000063896179, 0.25 ] ]
{ "a": 7.729853630065918, "b": 7.729853630065918, "c": 6.124811172485352, "alpha": 90, "beta": 90, "gamma": 120 }
194
SrPr3
hard_negative
false
null
0
0.133552
0.133552
true
[ "metallic" ]
null
mp-1187235
[ "Sr", "Pm" ]
[ 38, 38, 61, 61, 61, 61, 61, 61 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.32006698846817017, 0.16003349423408508, 0.75 ], [ 0.8399664759635925, 0.16003349423408508, 0.75 ], [ 0.8399664759635925, 0.6799330115318298, 0.75 ], [ 0.6799330115318298, 0.8399664759635925, 0.25 ], [ 0.16003349423408508, 0.8399664759635925, 0.25 ], [ 0.16003349423408508, 0.32006698846817017, 0.25 ] ]
{ "a": 7.611689567565918, "b": 7.611689567565918, "c": 6.028204917907715, "alpha": 90, "beta": 90, "gamma": 120 }
194
SrPm3
hard_negative
false
null
0
0.160218
0.160218
true
[ "metallic" ]
null
mp-1187237
[ "Sr", "Ce" ]
[ 38, 38, 38, 38, 38, 38, 58, 58 ]
8
2
[ [ 0.34111401438713074, 0.17055700719356537, 0.75 ], [ 0.8294429779052734, 0.17055700719356537, 0.75 ], [ 0.8294429779052734, 0.6588860154151917, 0.75 ], [ 0.6588860154151917, 0.8294429779052734, 0.25 ], [ 0.17055700719356537, 0.8294429779052734, 0.25 ], [ 0.17055700719356537, 0.34111401438713074, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 8.193236351013184, "b": 8.193236351013184, "c": 6.489148139953613, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sr3Ce
hard_negative
false
null
0
0.279904
0.279904
true
[ "metallic" ]
null
mp-1187241
[ "Ta", "Ir" ]
[ 73, 73, 77, 77, 77, 77, 77, 77 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3282225728034973, 0.16411128640174866, 0.75 ], [ 0.8358887434005737, 0.16411128640174866, 0.75 ], [ 0.8358887434005737, 0.6717774271965027, 0.75 ], [ 0.6717774271965027, 0.8358887434005737, 0.25 ], [ 0.16411128640174866, 0.8358887434005737, 0.25 ], [ 0.16411128640174866, 0.3282225728034973, 0.25 ] ]
{ "a": 5.552122592926025, "b": 5.552122592926025, "c": 4.460285186767578, "alpha": 90, "beta": 90, "gamma": 120 }
194
TaIr3
hard_negative
false
null
0
0.016255
-0.741387
true
[ "metallic" ]
null
mp-1187248
[ "Ta", "Os" ]
[ 73, 73, 76, 76, 76, 76, 76, 76 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.33075594902038574, 0.16537797451019287, 0.75 ], [ 0.8346220254898071, 0.16537797451019287, 0.75 ], [ 0.8346220254898071, 0.6692440509796143, 0.75 ], [ 0.6692440509796143, 0.8346220254898071, 0.25 ], [ 0.16537797451019287, 0.8346220254898071, 0.25 ], [ 0.16537797451019287, 0.33075594902038574, 0.25 ] ]
{ "a": 5.58131217956543, "b": 5.58131217956543, "c": 4.445751667022705, "alpha": 90, "beta": 90, "gamma": 120 }
194
TaOs3
hard_negative
false
null
0
0.029551
-0.13347
true
[ "metallic" ]
null
mp-1187249
[ "Sr", "La" ]
[ 38, 38, 57, 57, 57, 57, 57, 57 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.32077398896217346, 0.16038699448108673, 0.75 ], [ 0.8396130204200745, 0.16038699448108673, 0.75 ], [ 0.8396130204200745, 0.6792259812355042, 0.75 ], [ 0.6792259812355042, 0.8396130204200745, 0.25 ], [ 0.16038699448108673, 0.8396130204200745, 0.25 ], [ 0.16038699448108673, 0.32077398896217346, 0.25 ] ]
{ "a": 7.815783977508545, "b": 7.815783977508545, "c": 6.187689781188965, "alpha": 90, "beta": 90, "gamma": 120 }
194
SrLa3
hard_negative
false
null
0
0.145661
0.145661
true
[ "metallic" ]
null
mp-1187258
[ "Ru", "Ta" ]
[ 73, 73, 44, 44, 44, 44, 44, 44 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.33181697130203247, 0.16590848565101624, 0.75 ], [ 0.8340915441513062, 0.16590848565101624, 0.75 ], [ 0.8340915441513062, 0.6681830286979675, 0.75 ], [ 0.6681830286979675, 0.8340915441513062, 0.25 ], [ 0.16590848565101624, 0.8340915441513062, 0.25 ], [ 0.16590848565101624, 0.33181697130203247, 0.25 ] ]
{ "a": 5.560871124267578, "b": 5.560871124267578, "c": 4.360493183135986, "alpha": 90, "beta": 90, "gamma": 120 }
194
TaRu3
hard_negative
false
null
0
0.077445
-0.18363
true
[ "metallic" ]
null
mp-1187261
[ "Sn", "Ta" ]
[ 73, 73, 50, 50, 50, 50, 50, 50 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3484640121459961, 0.17423200607299805, 0.75 ], [ 0.825767993927002, 0.17423200607299805, 0.75 ], [ 0.825767993927002, 0.6515359878540039, 0.75 ], [ 0.6515359878540039, 0.825767993927002, 0.25 ], [ 0.17423200607299805, 0.825767993927002, 0.25 ], [ 0.17423200607299805, 0.3484640121459961, 0.25 ] ]
{ "a": 6.2917280197143555, "b": 6.2917280197143555, "c": 5.405506134033203, "alpha": 90, "beta": 90, "gamma": 120 }
194
TaSn3
hard_negative
false
null
0
0.478538
0.453029
true
[ "metallic" ]
null
mp-1187282
[ "Ta", "Pb" ]
[ 73, 73, 82, 82, 82, 82, 82, 82 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3460890054702759, 0.17304450273513794, 0.75 ], [ 0.8269554972648621, 0.17304450273513794, 0.75 ], [ 0.8269554972648621, 0.6539109945297241, 0.75 ], [ 0.6539109945297241, 0.8269554972648621, 0.25 ], [ 0.17304450273513794, 0.8269554972648621, 0.25 ], [ 0.17304450273513794, 0.3460890054702759, 0.25 ] ]
{ "a": 6.608874320983887, "b": 6.608874320983887, "c": 5.553102016448975, "alpha": 90, "beta": 90, "gamma": 120 }
194
TaPb3
hard_negative
false
null
0
0.730089
0.730089
true
[ "metallic" ]
null
mp-1187290
[ "Sr", "Eu" ]
[ 38, 38, 63, 63, 63, 63, 63, 63 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3119698464870453, 0.15598492324352264, 0.75 ], [ 0.8440150618553162, 0.15598492324352264, 0.75 ], [ 0.8440150618553162, 0.6880301833152771, 0.75 ], [ 0.6880301833152771, 0.8440150618553162, 0.25 ], [ 0.15598492324352264, 0.8440150618553162, 0.25 ], [ 0.15598492324352264, 0.3119698464870453, 0.25 ] ]
{ "a": 8.274725914001465, "b": 8.274725914001465, "c": 6.47707986831665, "alpha": 90, "beta": 90, "gamma": 120 }
194
SrEu3
hard_negative
false
null
0
0.047558
0.047558
true
[ "metallic" ]
null
mp-1187296
[ "Mg", "Tb" ]
[ 65, 65, 65, 65, 65, 65, 12, 12 ]
8
2
[ [ 0.3418513834476471, 0.17092569172382355, 0.75 ], [ 0.8290743231773376, 0.17092569172382355, 0.75 ], [ 0.8290743231773376, 0.6581485867500305, 0.75 ], [ 0.17092569172382355, 0.3418513834476471, 0.25 ], [ 0.17092569172382355, 0.8290743231773376, 0.25 ], [ 0.6581485867500305, 0.8290743231773376, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 7.0481791496276855, "b": 7.0481791496276855, "c": 5.534795761108398, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tb3Mg
hard_negative
false
null
0
0.054079
0.019777
true
[ "metallic" ]
null
mp-1187297
[ "Ce", "Tb" ]
[ 65, 65, 65, 65, 65, 65, 58, 58 ]
8
2
[ [ 0.33443400263786316, 0.16721700131893158, 0.75 ], [ 0.8327829837799072, 0.16721700131893158, 0.75 ], [ 0.8327829837799072, 0.6655660271644592, 0.75 ], [ 0.6655660271644592, 0.8327829837799072, 0.25 ], [ 0.16721700131893158, 0.8327829837799072, 0.25 ], [ 0.16721700131893158, 0.33443400263786316, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.157931804656982, "b": 7.157931804656982, "c": 5.741224765777588, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tb3Ce
hard_negative
false
null
0
0.075382
0.075382
true
[ "metallic" ]
null
mp-1187298
[ "Sr", "Eu" ]
[ 38, 38, 38, 38, 38, 38, 63, 63 ]
8
2
[ [ 0.3358358144760132, 0.1679179072380066, 0.75 ], [ 0.8320820927619934, 0.1679179072380066, 0.75 ], [ 0.8320820927619934, 0.6641641855239868, 0.75 ], [ 0.6641641855239868, 0.8320820927619934, 0.25 ], [ 0.1679179072380066, 0.8320820927619934, 0.25 ], [ 0.1679179072380066, 0.3358358144760132, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 8.519990921020508, "b": 8.519990921020508, "c": 6.944583892822266, "alpha": 90, "beta": 90, "gamma": 120 }
194
Sr3Eu
hard_negative
false
null
0
0.037141
0.037141
true
[ "metallic" ]
null
mp-1187299
[ "In", "Tb" ]
[ 65, 65, 65, 65, 65, 65, 49, 49 ]
8
2
[ [ 0.17182545363903046, 0.3436509072780609, 0.25 ], [ 0.17182545363903046, 0.8281745314598083, 0.25 ], [ 0.6563491225242615, 0.8281745314598083, 0.25 ], [ 0.8281745314598083, 0.6563491225242615, 0.75 ], [ 0.8281745314598083, 0.17182545363903046, 0.75 ], [ 0.3436509072780609, 0.17182545363903046, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 6.861023902893066, "b": 6.861023902893066, "c": 5.639533042907715, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tb3In
hard_negative
false
null
0
0.007641
-0.359123
true
[ "metallic" ]
null
mp-1187308
[ "Pm", "Tb" ]
[ 65, 65, 65, 65, 65, 65, 61, 61 ]
8
2
[ [ 0.16516782343387604, 0.3303356468677521, 0.25 ], [ 0.16516782343387604, 0.8348321914672852, 0.25 ], [ 0.6696643233299255, 0.8348321914672852, 0.25 ], [ 0.8348321914672852, 0.6696643233299255, 0.75 ], [ 0.8348321914672852, 0.16516782343387604, 0.75 ], [ 0.3303356468677521, 0.16516782343387604, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 7.308372974395752, "b": 7.308372974395752, "c": 5.8462700843811035, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tb3Pm
hard_negative
false
null
0
0
-0.000211
true
[ "metallic" ]
null
mp-1187318
[ "Pr", "Tb" ]
[ 65, 65, 65, 65, 65, 65, 59, 59 ]
8
2
[ [ 0.3274463713169098, 0.1637231856584549, 0.75 ], [ 0.8362768292427063, 0.1637231856584549, 0.75 ], [ 0.8362768292427063, 0.6725536584854126, 0.75 ], [ 0.6725536584854126, 0.8362768292427063, 0.25 ], [ 0.1637231856584549, 0.8362768292427063, 0.25 ], [ 0.1637231856584549, 0.3274463713169098, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.348130226135254, "b": 7.348130226135254, "c": 5.869288921356201, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tb3Pr
hard_negative
false
null
0
0.012096
0.012096
true
[ "metallic" ]
null
mp-1187319
[ "Sm", "Tb" ]
[ 65, 65, 65, 65, 65, 65, 62, 62 ]
8
2
[ [ 0.33145442605018616, 0.16572721302509308, 0.75 ], [ 0.8342728018760681, 0.16572721302509308, 0.75 ], [ 0.8342728018760681, 0.6685456037521362, 0.75 ], [ 0.6685456037521362, 0.8342728018760681, 0.25 ], [ 0.16572721302509308, 0.8342728018760681, 0.25 ], [ 0.16572721302509308, 0.33145442605018616, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.293535232543945, "b": 7.293535232543945, "c": 5.836795806884766, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tb3Sm
hard_negative
false
null
0
0
-0.002754
true
[ "metallic" ]
null
mp-1187328
[ "Tb", "Th" ]
[ 65, 65, 65, 65, 65, 65, 90, 90 ]
8
2
[ [ 0.33580565452575684, 0.16790282726287842, 0.75 ], [ 0.8320971727371216, 0.16790282726287842, 0.75 ], [ 0.8320971727371216, 0.6641943454742432, 0.75 ], [ 0.6641943454742432, 0.8320971727371216, 0.25 ], [ 0.16790282726287842, 0.8320971727371216, 0.25 ], [ 0.16790282726287842, 0.33580565452575684, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.221557140350342, "b": 7.221557140350342, "c": 5.781558513641357, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tb3Th
hard_negative
false
null
0
0.047697
0.047697
true
[ "metallic" ]
null
mp-1187332
[ "Tb", "Bi" ]
[ 65, 65, 83, 83, 83, 83, 83, 83 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3440130054950714, 0.1720065027475357, 0.75 ], [ 0.8279935121536255, 0.1720065027475357, 0.75 ], [ 0.8279935121536255, 0.655987024307251, 0.75 ], [ 0.655987024307251, 0.8279935121536255, 0.25 ], [ 0.1720065027475357, 0.8279935121536255, 0.25 ], [ 0.1720065027475357, 0.3440130054950714, 0.25 ] ]
{ "a": 6.83905029296875, "b": 6.83905029296875, "c": 6.066328048706055, "alpha": 90, "beta": 90, "gamma": 120 }
194
TbBi3
hard_negative
false
null
0
0.08637
-0.464502
true
[ "metallic" ]
null
mp-1187358
[ "Nd", "Tb" ]
[ 65, 65, 60, 60, 60, 60, 60, 60 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3344877362251282, 0.1672438681125641, 0.75 ], [ 0.8327561616897583, 0.1672438681125641, 0.75 ], [ 0.8327561616897583, 0.6655122637748718, 0.75 ], [ 0.6655122637748718, 0.8327561616897583, 0.25 ], [ 0.1672438681125641, 0.8327561616897583, 0.25 ], [ 0.1672438681125641, 0.3344877362251282, 0.25 ] ]
{ "a": 7.455145835876465, "b": 7.455145835876465, "c": 5.836409091949463, "alpha": 90, "beta": 90, "gamma": 120 }
194
TbNd3
hard_negative
false
null
0
0.025011
0.025011
true
[ "metallic" ]
null
mp-1187361
[ "Mg", "Tb" ]
[ 65, 65, 12, 12, 12, 12, 12, 12 ]
8
2
[ [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.32606056332588196, 0.16303028166294098, 0.75 ], [ 0.8369697332382202, 0.16303028166294098, 0.75 ], [ 0.8369697332382202, 0.6739394664764404, 0.75 ], [ 0.16303028166294098, 0.32606056332588196, 0.25 ], [ 0.16303028166294098, 0.8369697332382202, 0.25 ], [ 0.6739394664764404, 0.8369697332382202, 0.25 ] ]
{ "a": 6.67671537399292, "b": 6.67671537399292, "c": 5.1679792404174805, "alpha": 90, "beta": 90, "gamma": 120 }
194
TbMg3
hard_negative
false
null
0
0.017298
-0.038787
true
[ "metallic" ]
null
mp-1187362
[ "Tb", "Os" ]
[ 65, 65, 76, 76, 76, 76, 76, 76 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.310698002576828, 0.155349001288414, 0.75 ], [ 0.8446509838104248, 0.155349001288414, 0.75 ], [ 0.8446509838104248, 0.6893020272254944, 0.75 ], [ 0.6893020272254944, 0.8446509838104248, 0.25 ], [ 0.155349001288414, 0.8446509838104248, 0.25 ], [ 0.155349001288414, 0.310698002576828, 0.25 ] ]
{ "a": 5.896167755126953, "b": 5.896167755126953, "c": 4.5795698165893555, "alpha": 90, "beta": 90, "gamma": 120 }
194
TbOs3
hard_negative
false
null
0
0.65824
0.381699
true
[ "metallic" ]
null
mp-1187368
[ "Mn", "Tb" ]
[ 65, 65, 25, 25, 25, 25, 25, 25 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.29805898666381836, 0.14902949333190918, 0.75 ], [ 0.8509705066680908, 0.14902949333190918, 0.75 ], [ 0.8509705066680908, 0.7019410133361816, 0.75 ], [ 0.7019410133361816, 0.8509705066680908, 0.25 ], [ 0.14902949333190918, 0.8509705066680908, 0.25 ], [ 0.14902949333190918, 0.29805898666381836, 0.25 ] ]
{ "a": 5.951079845428467, "b": 5.951079845428467, "c": 4.579601764678955, "alpha": 90, "beta": 90, "gamma": 120 }
194
TbMn3
hard_negative
false
null
0
0.296372
0.296372
true
[ "metallic" ]
null
mp-1187369
[ "Pm", "Tb" ]
[ 65, 65, 61, 61, 61, 61, 61, 61 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3339797556400299, 0.16698987782001495, 0.75 ], [ 0.8330101370811462, 0.16698987782001495, 0.75 ], [ 0.8330101370811462, 0.6660202741622925, 0.75 ], [ 0.6660202741622925, 0.8330101370811462, 0.25 ], [ 0.16698987782001495, 0.8330101370811462, 0.25 ], [ 0.16698987782001495, 0.3339797556400299, 0.25 ] ]
{ "a": 7.407904148101807, "b": 7.407904148101807, "c": 5.796023368835449, "alpha": 90, "beta": 90, "gamma": 120 }
194
TbPm3
hard_negative
false
null
0
0.021419
0.021349
true
[ "metallic" ]
null
mp-1187373
[ "Pr", "Tb" ]
[ 65, 65, 59, 59, 59, 59, 59, 59 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.33623206615448, 0.16811603307724, 0.75 ], [ 0.83188396692276, 0.16811603307724, 0.75 ], [ 0.83188396692276, 0.66376793384552, 0.75 ], [ 0.66376793384552, 0.83188396692276, 0.25 ], [ 0.16811603307724, 0.83188396692276, 0.25 ], [ 0.16811603307724, 0.33623206615448, 0.25 ] ]
{ "a": 7.491004943847656, "b": 7.491004943847656, "c": 5.955939292907715, "alpha": 90, "beta": 90, "gamma": 120 }
194
TbPr3
hard_negative
false
null
0
0.039278
0.039278
true
[ "metallic" ]
null
mp-1187375
[ "Eu", "Tb" ]
[ 65, 65, 63, 63, 63, 63, 63, 63 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.33954301476478577, 0.16977150738239288, 0.75 ], [ 0.8302285075187683, 0.16977150738239288, 0.75 ], [ 0.8302285075187683, 0.6604570150375366, 0.75 ], [ 0.6604570150375366, 0.8302285075187683, 0.25 ], [ 0.16977150738239288, 0.8302285075187683, 0.25 ], [ 0.16977150738239288, 0.33954301476478577, 0.25 ] ]
{ "a": 7.669130325317383, "b": 7.669130325317383, "c": 6.209737777709961, "alpha": 90, "beta": 90, "gamma": 120 }
194
TbEu3
hard_negative
false
null
0
0.076251
0.076251
true
[ "metallic" ]
null
mp-1187379
[ "Sm", "Tb" ]
[ 65, 65, 62, 62, 62, 62, 62, 62 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.33604058623313904, 0.16802029311656952, 0.75 ], [ 0.8319796919822693, 0.16802029311656952, 0.75 ], [ 0.8319796919822693, 0.6639594435691833, 0.75 ], [ 0.6639594435691833, 0.8319796919822693, 0.25 ], [ 0.16802029311656952, 0.8319796919822693, 0.25 ], [ 0.16802029311656952, 0.33604058623313904, 0.25 ] ]
{ "a": 7.361461639404297, "b": 7.361461639404297, "c": 5.893476486206055, "alpha": 90, "beta": 90, "gamma": 120 }
194
TbSm3
hard_negative
false
null
0
0.01172
0.010802
true
[ "metallic" ]
null
mp-1187391
[ "C", "Tc" ]
[ 43, 43, 43, 43, 43, 43, 6, 6 ]
8
2
[ [ 0.348704993724823, 0.1743524968624115, 0.75 ], [ 0.8256474733352661, 0.1743524968624115, 0.75 ], [ 0.8256474733352661, 0.651295006275177, 0.75 ], [ 0.651295006275177, 0.8256474733352661, 0.25 ], [ 0.1743524968624115, 0.8256474733352661, 0.25 ], [ 0.1743524968624115, 0.348704993724823, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 5.33721399307251, "b": 5.33721399307251, "c": 4.097024917602539, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tc3C
hard_negative
false
null
0
1.045194
1.045194
true
[ "metallic" ]
null
mp-1187393
[ "Tb", "Yb" ]
[ 65, 65, 70, 70, 70, 70, 70, 70 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3327708840370178, 0.1663854420185089, 0.75 ], [ 0.8336145281791687, 0.1663854420185089, 0.75 ], [ 0.8336145281791687, 0.6672291159629822, 0.75 ], [ 0.6672291159629822, 0.8336145281791687, 0.25 ], [ 0.1663854420185089, 0.8336145281791687, 0.25 ], [ 0.1663854420185089, 0.3327708840370178, 0.25 ] ]
{ "a": 7.135977268218994, "b": 7.135977268218994, "c": 5.512012004852295, "alpha": 90, "beta": 90, "gamma": 120 }
194
TbYb3
hard_negative
false
null
0
0
-0.011291
true
[ "metallic" ]
null
mp-1187397
[ "Tc", "Sn" ]
[ 43, 43, 43, 43, 43, 43, 50, 50 ]
8
2
[ [ 0.32983800768852234, 0.16491900384426117, 0.75 ], [ 0.8350809812545776, 0.16491900384426117, 0.75 ], [ 0.8350809812545776, 0.6701620221138, 0.75 ], [ 0.6701620221138, 0.8350809812545776, 0.25 ], [ 0.16491900384426117, 0.8350809812545776, 0.25 ], [ 0.16491900384426117, 0.32983800768852234, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 5.65335750579834, "b": 5.65335750579834, "c": 4.60313606262207, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tc3Sn
hard_negative
false
null
0
0.229102
0.229102
true
[ "metallic" ]
null
mp-1187398
[ "Tc", "W" ]
[ 43, 43, 43, 43, 43, 43, 74, 74 ]
8
2
[ [ 0.3341340124607086, 0.1670670062303543, 0.75 ], [ 0.8329330086708069, 0.1670670062303543, 0.75 ], [ 0.8329330086708069, 0.6658660173416138, 0.75 ], [ 0.6658660173416138, 0.8329330086708069, 0.25 ], [ 0.1670670062303543, 0.8329330086708069, 0.25 ], [ 0.1670670062303543, 0.3341340124607086, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 5.5645060539245605, "b": 5.5645060539245605, "c": 4.480905055999756, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tc3W
hard_negative
false
null
0
0.107239
0.107239
true
[ "metallic" ]
null
mp-1187404
[ "Se", "Te" ]
[ 52, 52, 52, 52, 52, 52, 34, 34 ]
8
2
[ [ 0.34251999855041504, 0.17125999927520752, 0.75 ], [ 0.8287400007247925, 0.17125999927520752, 0.75 ], [ 0.8287400007247925, 0.657480001449585, 0.75 ], [ 0.657480001449585, 0.8287400007247925, 0.25 ], [ 0.17125999927520752, 0.8287400007247925, 0.25 ], [ 0.17125999927520752, 0.34251999855041504, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.860085964202881, "b": 7.860085964202881, "c": 4.302164077758789, "alpha": 90, "beta": 90, "gamma": 120 }
194
Te3Se
hard_negative
false
null
0
0.205517
0.200052
true
[ "metallic" ]
null
mp-1187407
[ "S", "Te" ]
[ 52, 52, 16, 16, 16, 16, 16, 16 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.36190342903137207, 0.18095171451568604, 0.75 ], [ 0.819048285484314, 0.18095171451568604, 0.75 ], [ 0.819048285484314, 0.6380965709686279, 0.75 ], [ 0.6380965709686279, 0.819048285484314, 0.25 ], [ 0.18095171451568604, 0.819048285484314, 0.25 ], [ 0.18095171451568604, 0.36190342903137207, 0.25 ] ]
{ "a": 7.353387832641602, "b": 7.353387832641602, "c": 3.6856818199157715, "alpha": 90, "beta": 90, "gamma": 120 }
194
TeS3
hard_negative
false
null
0
0.612817
0.612817
true
[ "sulfide", "metallic" ]
null
mp-1187413
[ "Ag", "Th" ]
[ 90, 90, 47, 47, 47, 47, 47, 47 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.30232301354408264, 0.15116150677204132, 0.75 ], [ 0.8488385081291199, 0.15116150677204132, 0.75 ], [ 0.8488385081291199, 0.6976770162582397, 0.75 ], [ 0.6976770162582397, 0.8488385081291199, 0.25 ], [ 0.15116150677204132, 0.8488385081291199, 0.25 ], [ 0.15116150677204132, 0.30232301354408264, 0.25 ] ]
{ "a": 6.562830448150635, "b": 6.562830448150635, "c": 4.876809120178223, "alpha": 90, "beta": 90, "gamma": 120 }
194
ThAg3
hard_negative
false
null
0
0.100336
-0.047416
true
[ "metallic" ]
null
mp-1187415
[ "Ge", "Tc" ]
[ 43, 43, 43, 43, 43, 43, 32, 32 ]
8
2
[ [ 0.3392980098724365, 0.16964900493621826, 0.75 ], [ 0.8303509950637817, 0.16964900493621826, 0.75 ], [ 0.8303509950637817, 0.6607019901275635, 0.75 ], [ 0.6607019901275635, 0.8303509950637817, 0.25 ], [ 0.16964900493621826, 0.8303509950637817, 0.25 ], [ 0.16964900493621826, 0.3392980098724365, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 5.47406005859375, "b": 5.47406005859375, "c": 4.478653907775879, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tc3Ge
hard_negative
false
null
0
0.063807
-0.01908
true
[ "metallic" ]
null
mp-1187449
[ "Cr", "Th" ]
[ 90, 90, 90, 90, 90, 90, 24, 24 ]
8
2
[ [ 0.3517960011959076, 0.1758980005979538, 0.75 ], [ 0.824101984500885, 0.1758980005979538, 0.75 ], [ 0.824101984500885, 0.6482040286064148, 0.75 ], [ 0.6482040286064148, 0.824101984500885, 0.25 ], [ 0.1758980005979538, 0.824101984500885, 0.25 ], [ 0.1758980005979538, 0.3517960011959076, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.925536155700684, "b": 6.925536155700684, "c": 5.481441974639893, "alpha": 90, "beta": 90, "gamma": 120 }
194
Th3Cr
hard_negative
false
null
0
0.377927
0.377927
true
[ "metallic" ]
null
mp-1187462
[ "Zr", "Th" ]
[ 90, 90, 40, 40, 40, 40, 40, 40 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.31348899006843567, 0.15674449503421783, 0.75 ], [ 0.8432555198669434, 0.15674449503421783, 0.75 ], [ 0.8432555198669434, 0.6865109801292419, 0.75 ], [ 0.6865109801292419, 0.8432555198669434, 0.25 ], [ 0.15674449503421783, 0.8432555198669434, 0.25 ], [ 0.15674449503421783, 0.31348899006843567, 0.25 ] ]
{ "a": 6.650578022003174, "b": 6.650578022003174, "c": 5.391708850860596, "alpha": 90, "beta": 90, "gamma": 120 }
194
ThZr3
hard_negative
false
null
0
0.078779
0.078779
true
[ "metallic" ]
null
mp-1187477
[ "Ti", "Te" ]
[ 22, 22, 22, 22, 22, 22, 52, 52 ]
8
2
[ [ 0.3222140073776245, 0.16110700368881226, 0.75 ], [ 0.8388929963111877, 0.16110700368881226, 0.75 ], [ 0.8388929963111877, 0.6777859926223755, 0.75 ], [ 0.6777859926223755, 0.8388929963111877, 0.25 ], [ 0.16110700368881226, 0.8388929963111877, 0.25 ], [ 0.16110700368881226, 0.3222140073776245, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 5.819178581237793, "b": 5.819178581237793, "c": 4.818871974945068, "alpha": 90, "beta": 90, "gamma": 120 }
194
Ti3Te
hard_negative
false
null
0
0.127476
-0.298777
true
[ "metallic" ]
null
mp-1187478
[ "Ti", "Cd" ]
[ 22, 22, 48, 48, 48, 48, 48, 48 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3399670124053955, 0.16998350620269775, 0.75 ], [ 0.8300164937973022, 0.16998350620269775, 0.75 ], [ 0.8300164937973022, 0.6600329875946045, 0.75 ], [ 0.6600329875946045, 0.8300164937973022, 0.25 ], [ 0.16998350620269775, 0.8300164937973022, 0.25 ], [ 0.16998350620269775, 0.3399670124053955, 0.25 ] ]
{ "a": 6.203150272369385, "b": 6.203150272369385, "c": 4.831737041473389, "alpha": 90, "beta": 90, "gamma": 120 }
194
TiCd3
hard_negative
false
null
0
0.072804
0.036667
true
[ "metallic" ]
null
mp-1187514
[ "Ti", "Nb" ]
[ 22, 22, 22, 22, 22, 22, 41, 41 ]
8
2
[ [ 0.33161699771881104, 0.16580849885940552, 0.75 ], [ 0.8341915011405945, 0.16580849885940552, 0.75 ], [ 0.8341915011405945, 0.668383002281189, 0.75 ], [ 0.668383002281189, 0.8341915011405945, 0.25 ], [ 0.16580849885940552, 0.8341915011405945, 0.25 ], [ 0.16580849885940552, 0.33161699771881104, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 5.835964202880859, "b": 5.835964202880859, "c": 4.795905113220215, "alpha": 90, "beta": 90, "gamma": 120 }
194
Ti3Nb
hard_negative
false
null
0
0.077854
0.077854
true
[ "metallic" ]
null
mp-1187525
[ "Si", "Ti" ]
[ 22, 22, 22, 22, 22, 22, 14, 14 ]
8
2
[ [ 0.34359994530677795, 0.17179997265338898, 0.75 ], [ 0.8282000422477722, 0.17179997265338898, 0.75 ], [ 0.8282000422477722, 0.6564000248908997, 0.75 ], [ 0.6564000248908997, 0.8282000422477722, 0.25 ], [ 0.17179997265338898, 0.8282000422477722, 0.25 ], [ 0.17179997265338898, 0.34359994530677795, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 5.631313800811768, "b": 5.631313800811768, "c": 4.505452632904053, "alpha": 90, "beta": 90, "gamma": 120 }
194
Ti3Si
hard_negative
false
null
0
0.0565
-0.469852
true
[ "metallic" ]
null
mp-1187531
[ "Ti", "Zn" ]
[ 22, 22, 30, 30, 30, 30, 30, 30 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.329534649848938, 0.164767324924469, 0.75 ], [ 0.835232675075531, 0.164767324924469, 0.75 ], [ 0.835232675075531, 0.670465350151062, 0.75 ], [ 0.670465350151062, 0.835232675075531, 0.25 ], [ 0.164767324924469, 0.835232675075531, 0.25 ], [ 0.164767324924469, 0.329534649848938, 0.25 ] ]
{ "a": 5.571461200714111, "b": 5.571461200714111, "c": 4.301974296569824, "alpha": 90, "beta": 90, "gamma": 120 }
194
TiZn3
hard_negative
false
null
0
0
-0.206192
true
[ "metallic" ]
null
mp-1187534
[ "Te", "Pb" ]
[ 52, 52, 82, 82, 82, 82, 82, 82 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.33482301235198975, 0.16741150617599487, 0.75 ], [ 0.8325884938240051, 0.16741150617599487, 0.75 ], [ 0.8325884938240051, 0.6651769876480103, 0.75 ], [ 0.6651769876480103, 0.8325884938240051, 0.25 ], [ 0.16741150617599487, 0.8325884938240051, 0.25 ], [ 0.16741150617599487, 0.33482301235198975, 0.25 ] ]
{ "a": 7.067307472229004, "b": 7.067307472229004, "c": 5.9632368087768555, "alpha": 90, "beta": 90, "gamma": 120 }
194
TePb3
hard_negative
false
null
0
0.299897
0.047982
true
[ "metallic" ]
null
mp-1187540
[ "Rh", "Tl" ]
[ 81, 81, 45, 45, 45, 45, 45, 45 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.320933997631073, 0.1604669988155365, 0.75 ], [ 0.8395329713821411, 0.1604669988155365, 0.75 ], [ 0.8395329713821411, 0.679066002368927, 0.75 ], [ 0.679066002368927, 0.8395329713821411, 0.25 ], [ 0.1604669988155365, 0.8395329713821411, 0.25 ], [ 0.1604669988155365, 0.320933997631073, 0.25 ] ]
{ "a": 5.711971759796143, "b": 5.711971759796143, "c": 4.571290016174316, "alpha": 90, "beta": 90, "gamma": 120 }
194
TlRh3
hard_negative
false
null
0
0.1457
0.1457
true
[ "metallic" ]
null
mp-1187543
[ "S", "Tl" ]
[ 81, 81, 16, 16, 16, 16, 16, 16 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.27112799882888794, 0.13556399941444397, 0.75 ], [ 0.8644359707832336, 0.13556399941444397, 0.75 ], [ 0.8644359707832336, 0.7288720011711121, 0.75 ], [ 0.7288720011711121, 0.8644359707832336, 0.25 ], [ 0.13556399941444397, 0.8644359707832336, 0.25 ], [ 0.13556399941444397, 0.27112799882888794, 0.25 ] ]
{ "a": 7.716194152832031, "b": 7.716194152832031, "c": 3.533384084701538, "alpha": 90, "beta": 90, "gamma": 120 }
194
TlS3
hard_negative
false
null
0
0.47377
0.037595
true
[ "sulfide", "metallic" ]
null
mp-1187548
[ "Pr", "Yb" ]
[ 70, 70, 59, 59, 59, 59, 59, 59 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.338058203458786, 0.169029101729393, 0.75 ], [ 0.8309708833694458, 0.169029101729393, 0.75 ], [ 0.8309708833694458, 0.6619418263435364, 0.75 ], [ 0.6619418263435364, 0.8309708833694458, 0.25 ], [ 0.169029101729393, 0.8309708833694458, 0.25 ], [ 0.169029101729393, 0.338058203458786, 0.25 ] ]
{ "a": 7.460784912109375, "b": 7.460784912109375, "c": 5.842352390289307, "alpha": 90, "beta": 90, "gamma": 120 }
194
YbPr3
hard_negative
false
null
0
0.034066
0.034066
true
[ "metallic" ]
null
mp-1187552
[ "S", "Tl" ]
[ 81, 81, 81, 81, 81, 81, 16, 16 ]
8
2
[ [ 0.343299001455307, 0.1716495007276535, 0.75 ], [ 0.8283504843711853, 0.1716495007276535, 0.75 ], [ 0.8283504843711853, 0.6567010283470154, 0.75 ], [ 0.6567010283470154, 0.8283504843711853, 0.25 ], [ 0.1716495007276535, 0.8283504843711853, 0.25 ], [ 0.1716495007276535, 0.343299001455307, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.736294269561768, "b": 6.736294269561768, "c": 5.788183212280273, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tl3S
hard_negative
false
null
0
0.161741
-0.217096
true
[ "sulfide", "metallic" ]
null
mp-1187553
[ "Sn", "Tl" ]
[ 81, 81, 81, 81, 81, 81, 50, 50 ]
8
2
[ [ 0.34083959460258484, 0.17041979730129242, 0.75 ], [ 0.8295801877975464, 0.17041979730129242, 0.75 ], [ 0.8295801877975464, 0.6591603755950928, 0.75 ], [ 0.6591603755950928, 0.8295801877975464, 0.25 ], [ 0.17041979730129242, 0.8295801877975464, 0.25 ], [ 0.17041979730129242, 0.34083959460258484, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.168386936187744, "b": 7.168386936187744, "c": 5.370260715484619, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tl3Sn
hard_negative
false
null
0
0.068494
0.068494
true
[ "metallic" ]
null
mp-1187559
[ "Ti", "As" ]
[ 22, 22, 33, 33, 33, 33, 33, 33 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.36814799904823303, 0.18407399952411652, 0.75 ], [ 0.8159260153770447, 0.18407399952411652, 0.75 ], [ 0.8159260153770447, 0.6318519711494446, 0.75 ], [ 0.6318519711494446, 0.8159260153770447, 0.25 ], [ 0.18407399952411652, 0.8159260153770447, 0.25 ], [ 0.18407399952411652, 0.36814799904823303, 0.25 ] ]
{ "a": 5.880350112915039, "b": 5.880350112915039, "c": 4.9253249168396, "alpha": 90, "beta": 90, "gamma": 120 }
194
TiAs3
hard_negative
false
null
0
0.434837
-0.092095
true
[ "metallic" ]
null
mp-1187592
[ "Tc", "Pb" ]
[ 43, 43, 43, 43, 43, 43, 82, 82 ]
8
2
[ [ 0.15583400428295135, 0.3116680085659027, 0.25 ], [ 0.15583400428295135, 0.8441659808158875, 0.25 ], [ 0.6883320212364197, 0.8441659808158875, 0.25 ], [ 0.8441659808158875, 0.6883320212364197, 0.75 ], [ 0.8441659808158875, 0.15583400428295135, 0.75 ], [ 0.3116680085659027, 0.15583400428295135, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 5.824666500091553, "b": 5.824666500091553, "c": 4.5386128425598145, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tc3Pb
hard_negative
false
null
0
0.598463
0.598463
true
[ "metallic" ]
null
mp-1187593
[ "As", "Tl" ]
[ 81, 81, 81, 81, 81, 81, 33, 33 ]
8
2
[ [ 0.3574659526348114, 0.1787329763174057, 0.75 ], [ 0.8212670087814331, 0.1787329763174057, 0.75 ], [ 0.8212670087814331, 0.642534077167511, 0.75 ], [ 0.642534077167511, 0.8212670087814331, 0.25 ], [ 0.1787329763174057, 0.8212670087814331, 0.25 ], [ 0.1787329763174057, 0.3574659526348114, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.607333660125732, "b": 7.607333660125732, "c": 4.724127769470215, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tl3As
hard_negative
false
null
0
0.018377
0.018377
true
[ "metallic" ]
null
mp-1187619
[ "H", "Tl" ]
[ 81, 81, 81, 81, 81, 81, 1, 1 ]
8
2
[ [ 0.1837185025215149, 0.3674370050430298, 0.25 ], [ 0.6325629949569702, 0.8162814974784851, 0.25 ], [ 0.1837185025215149, 0.8162814974784851, 0.25 ], [ 0.8162814974784851, 0.6325629949569702, 0.75 ], [ 0.3674370050430298, 0.1837185025215149, 0.75 ], [ 0.8162814974784851, 0.1837185025215149, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 7.2188191413879395, "b": 7.2188191413879395, "c": 4.6369099617004395, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tl3H
hard_negative
false
null
0
0.378683
0.378683
true
[ "metallic" ]
null
mp-1187635
[ "Al", "Tm" ]
[ 69, 69, 69, 69, 69, 69, 13, 13 ]
8
2
[ [ 0.17344887554645538, 0.34689775109291077, 0.25 ], [ 0.17344887554645538, 0.8265511393547058, 0.25 ], [ 0.6531022787094116, 0.8265511393547058, 0.25 ], [ 0.8265511393547058, 0.6531022787094116, 0.75 ], [ 0.8265511393547058, 0.17344887554645538, 0.75 ], [ 0.34689775109291077, 0.17344887554645538, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 6.67984676361084, "b": 6.67984676361084, "c": 5.24870491027832, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tm3Al
hard_negative
false
null
0
0.002785
-0.235841
true
[ "metallic" ]
null
mp-1187644
[ "Ga", "Tm" ]
[ 69, 69, 31, 31, 31, 31, 31, 31 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.29554587602615356, 0.14777293801307678, 0.75 ], [ 0.8522270321846008, 0.14777293801307678, 0.75 ], [ 0.8522270321846008, 0.7044541239738464, 0.75 ], [ 0.7044541239738464, 0.8522270321846008, 0.25 ], [ 0.14777293801307678, 0.8522270321846008, 0.25 ], [ 0.14777293801307678, 0.29554587602615356, 0.25 ] ]
{ "a": 6.170914173126221, "b": 6.170914173126221, "c": 4.478171348571777, "alpha": 90, "beta": 90, "gamma": 120 }
194
TmGa3
hard_negative
false
null
0
0
-0.545793
true
[ "metallic" ]
null
mp-1187649
[ "Sn", "Tm" ]
[ 69, 69, 69, 69, 69, 69, 50, 50 ]
8
2
[ [ 0.16976326704025269, 0.33952653408050537, 0.25 ], [ 0.6604734659194946, 0.8302367329597473, 0.25 ], [ 0.16976326704025269, 0.8302367329597473, 0.25 ], [ 0.8302367329597473, 0.6604734659194946, 0.75 ], [ 0.33952653408050537, 0.16976326704025269, 0.75 ], [ 0.8302367329597473, 0.16976326704025269, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 6.714755535125732, "b": 6.714755535125732, "c": 5.4840474128723145, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tm3Sn
hard_negative
false
null
0
0.095825
-0.365443
true
[ "metallic" ]
null
mp-1187653
[ "Cd", "Yb" ]
[ 70, 70, 48, 48, 48, 48, 48, 48 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.3267670273780823, 0.16338351368904114, 0.75 ], [ 0.8366165161132812, 0.16338351368904114, 0.75 ], [ 0.8366165161132812, 0.6732329726219177, 0.75 ], [ 0.6732329726219177, 0.8366165161132812, 0.25 ], [ 0.16338351368904114, 0.8366165161132812, 0.25 ], [ 0.16338351368904114, 0.3267670273780823, 0.25 ] ]
{ "a": 6.49964714050293, "b": 6.49964714050293, "c": 4.902194499969482, "alpha": 90, "beta": 90, "gamma": 120 }
194
YbCd3
hard_negative
false
null
0
0
-0.277146
true
[ "metallic" ]
null
mp-1187662
[ "Sb", "Tm" ]
[ 69, 69, 51, 51, 51, 51, 51, 51 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.34792301058769226, 0.17396150529384613, 0.75 ], [ 0.8260384798049927, 0.17396150529384613, 0.75 ], [ 0.8260384798049927, 0.6520770192146301, 0.75 ], [ 0.6520770192146301, 0.8260384798049927, 0.25 ], [ 0.17396150529384613, 0.8260384798049927, 0.25 ], [ 0.17396150529384613, 0.34792301058769226, 0.25 ] ]
{ "a": 6.503289699554443, "b": 6.503289699554443, "c": 5.870577812194824, "alpha": 90, "beta": 90, "gamma": 120 }
194
TmSb3
hard_negative
false
null
0
0.095519
-0.550642
true
[ "metallic" ]
null
mp-1187663
[ "Ge", "Tm" ]
[ 69, 69, 69, 69, 69, 69, 32, 32 ]
8
2
[ [ 0.17226450145244598, 0.34452900290489197, 0.25 ], [ 0.6554710268974304, 0.8277354836463928, 0.25 ], [ 0.17226450145244598, 0.8277354836463928, 0.25 ], [ 0.8277354836463928, 0.6554710268974304, 0.75 ], [ 0.34452900290489197, 0.17226450145244598, 0.75 ], [ 0.8277354836463928, 0.17226450145244598, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 6.582962989807129, "b": 6.582962989807129, "c": 5.283699989318848, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tm3Ge
hard_negative
false
null
0
0.252932
-0.278881
true
[ "metallic" ]
null
mp-1187671
[ "Ti", "Ni" ]
[ 22, 22, 22, 22, 22, 22, 28, 28 ]
8
2
[ [ 0.34607699513435364, 0.17303849756717682, 0.75 ], [ 0.17303849756717682, 0.34607699513435364, 0.25 ], [ 0.17303849756717682, 0.8269615173339844, 0.25 ], [ 0.653922975063324, 0.8269615173339844, 0.25 ], [ 0.8269615173339844, 0.653922975063324, 0.75 ], [ 0.8269615173339844, 0.17303849756717682, 0.75 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ] ]
{ "a": 5.446012020111084, "b": 5.446012020111084, "c": 4.624934196472168, "alpha": 90, "beta": 90, "gamma": 120 }
194
Ti3Ni
hard_negative
false
null
0
0.131343
-0.076653
true
[ "metallic" ]
null
mp-1187672
[ "Tm", "Tl" ]
[ 69, 69, 69, 69, 69, 69, 81, 81 ]
8
2
[ [ 0.3389017879962921, 0.16945089399814606, 0.75 ], [ 0.8305491209030151, 0.16945089399814606, 0.75 ], [ 0.8305491209030151, 0.6610981822013855, 0.75 ], [ 0.6610981822013855, 0.8305491209030151, 0.25 ], [ 0.16945089399814606, 0.8305491209030151, 0.25 ], [ 0.16945089399814606, 0.3389017879962921, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 6.731228351593018, "b": 6.731228351593018, "c": 5.554502964019775, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tm3Tl
hard_negative
false
null
0
0.050952
-0.230571
true
[ "metallic" ]
null
mp-1187673
[ "Tm", "Os" ]
[ 69, 69, 76, 76, 76, 76, 76, 76 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.323294997215271, 0.1616474986076355, 0.75 ], [ 0.8383525013923645, 0.1616474986076355, 0.75 ], [ 0.8383525013923645, 0.676705002784729, 0.75 ], [ 0.676705002784729, 0.8383525013923645, 0.25 ], [ 0.1616474986076355, 0.8383525013923645, 0.25 ], [ 0.1616474986076355, 0.323294997215271, 0.25 ] ]
{ "a": 5.770062446594238, "b": 5.770062446594238, "c": 4.597192764282227, "alpha": 90, "beta": 90, "gamma": 120 }
194
TmOs3
hard_negative
false
null
0
0.583777
0.246768
true
[ "metallic" ]
null
mp-1187674
[ "Sc", "Tm" ]
[ 69, 69, 69, 69, 69, 69, 21, 21 ]
8
2
[ [ 0.8314512372016907, 0.6629024744033813, 0.75 ], [ 0.8314512372016907, 0.16854876279830933, 0.75 ], [ 0.33709752559661865, 0.16854876279830933, 0.75 ], [ 0.16854876279830933, 0.33709752559661865, 0.25 ], [ 0.16854876279830933, 0.8314512372016907, 0.25 ], [ 0.6629024744033813, 0.8314512372016907, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.008666515350342, "b": 7.008666515350342, "c": 5.424850940704346, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tm3Sc
hard_negative
false
null
0
0.021994
0.021994
true
[ "metallic" ]
null
mp-1187680
[ "Nb", "Yb" ]
[ 70, 70, 41, 41, 41, 41, 41, 41 ]
8
2
[ [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ], [ 0.29893845319747925, 0.14946922659873962, 0.75 ], [ 0.8505308032035828, 0.14946922659873962, 0.75 ], [ 0.8505308032035828, 0.7010615468025208, 0.75 ], [ 0.7010615468025208, 0.8505308032035828, 0.25 ], [ 0.14946922659873962, 0.8505308032035828, 0.25 ], [ 0.14946922659873962, 0.29893845319747925, 0.25 ] ]
{ "a": 6.249068260192871, "b": 6.249068260192871, "c": 5.0109333992004395, "alpha": 90, "beta": 90, "gamma": 120 }
194
YbNb3
hard_negative
false
null
0
0.289191
0.289191
true
[ "metallic" ]
null
mp-1187682
[ "Tm", "Th" ]
[ 69, 69, 69, 69, 69, 69, 90, 90 ]
8
2
[ [ 0.3325958847999573, 0.16629794239997864, 0.75 ], [ 0.833702027797699, 0.16629794239997864, 0.75 ], [ 0.833702027797699, 0.6674041152000427, 0.75 ], [ 0.6674041152000427, 0.833702027797699, 0.25 ], [ 0.16629794239997864, 0.833702027797699, 0.25 ], [ 0.16629794239997864, 0.3325958847999573, 0.25 ], [ 0.6666666865348816, 0.3333333432674408, 0.25 ], [ 0.3333333432674408, 0.6666666865348816, 0.75 ] ]
{ "a": 7.130006790161133, "b": 7.130006790161133, "c": 5.677120685577393, "alpha": 90, "beta": 90, "gamma": 120 }
194
Tm3Th
hard_negative
false
null
0
0.031585
0.031585
true
[ "metallic" ]
null