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
],
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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
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0.8356387615203857,
0.6712775230407715,
0.75
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0.6712775230407715,
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0.25
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0.16436123847961426,
0.8356387615203857,
0.25
],
[
0.16436123847961426,
0.3287224769592285,
0.25
]
] |
{
"a": 8.087807655334473,
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"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
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0.8326169848442078,
0.6652340292930603,
0.75
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[
0.6652340292930603,
0.8326169848442078,
0.25
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0.16738300025463104,
0.8326169848442078,
0.25
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0.16738300025463104,
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0.25
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0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 5.448177814483643,
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"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
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[
0.3333333432674408,
0.6666666865348816,
0.75
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0.8400610089302063,
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0.8400610089302063,
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0.75
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0.6801220178604126,
0.8400610089302063,
0.25
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0.1599390059709549,
0.8400610089302063,
0.25
],
[
0.1599390059709549,
0.3198780119419098,
0.25
]
] |
{
"a": 7.661492347717285,
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"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
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[
0.3333333432674408,
0.6666666865348816,
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0.2998569905757904,
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0.75
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0.8500714898109436,
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0.8500714898109436,
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0.75
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0.7001429796218872,
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0.25
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0.1499284952878952,
0.8500714898109436,
0.25
],
[
0.1499284952878952,
0.2998569905757904,
0.25
]
] |
{
"a": 6.2548322677612305,
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"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
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[
0.3208000063896179,
0.16040000319480896,
0.75
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0.8396000266075134,
0.16040000319480896,
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0.8396000266075134,
0.6791999936103821,
0.75
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0.6791999936103821,
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[
0.16040000319480896,
0.8396000266075134,
0.25
],
[
0.16040000319480896,
0.3208000063896179,
0.25
]
] |
{
"a": 7.729853630065918,
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"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
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[
0.3333333432674408,
0.6666666865348816,
0.75
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[
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0.75
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0.75
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0.75
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[
0.6799330115318298,
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0.8399664759635925,
0.25
],
[
0.16003349423408508,
0.32006698846817017,
0.25
]
] |
{
"a": 7.611689567565918,
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"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
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[
0.8294429779052734,
0.17055700719356537,
0.75
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0.8294429779052734,
0.6588860154151917,
0.75
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[
0.6588860154151917,
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0.25
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0.17055700719356537,
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0.25
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0.17055700719356537,
0.34111401438713074,
0.25
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0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 8.193236351013184,
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"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
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[
0.3333333432674408,
0.6666666865348816,
0.75
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[
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0.16411128640174866,
0.75
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0.8358887434005737,
0.6717774271965027,
0.75
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[
0.6717774271965027,
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0.8358887434005737,
0.25
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[
0.16411128640174866,
0.3282225728034973,
0.25
]
] |
{
"a": 5.552122592926025,
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"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
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[
0.3333333432674408,
0.6666666865348816,
0.75
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[
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0.75
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0.6692440509796143,
0.75
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[
0.6692440509796143,
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0.25
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[
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0.8346220254898071,
0.25
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[
0.16537797451019287,
0.33075594902038574,
0.25
]
] |
{
"a": 5.58131217956543,
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"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
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[
0.3333333432674408,
0.6666666865348816,
0.75
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[
0.32077398896217346,
0.16038699448108673,
0.75
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[
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0.75
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0.8396130204200745,
0.6792259812355042,
0.75
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[
0.6792259812355042,
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0.25
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[
0.16038699448108673,
0.8396130204200745,
0.25
],
[
0.16038699448108673,
0.32077398896217346,
0.25
]
] |
{
"a": 7.815783977508545,
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"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
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[
0.3333333432674408,
0.6666666865348816,
0.75
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[
0.33181697130203247,
0.16590848565101624,
0.75
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[
0.8340915441513062,
0.16590848565101624,
0.75
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[
0.8340915441513062,
0.6681830286979675,
0.75
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[
0.6681830286979675,
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0.25
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[
0.16590848565101624,
0.8340915441513062,
0.25
],
[
0.16590848565101624,
0.33181697130203247,
0.25
]
] |
{
"a": 5.560871124267578,
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"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
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[
0.3333333432674408,
0.6666666865348816,
0.75
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[
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0.17423200607299805,
0.75
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[
0.825767993927002,
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0.75
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[
0.825767993927002,
0.6515359878540039,
0.75
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[
0.6515359878540039,
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0.25
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[
0.17423200607299805,
0.825767993927002,
0.25
],
[
0.17423200607299805,
0.3484640121459961,
0.25
]
] |
{
"a": 6.2917280197143555,
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"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
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[
0.3333333432674408,
0.6666666865348816,
0.75
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[
0.3460890054702759,
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0.75
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[
0.8269554972648621,
0.17304450273513794,
0.75
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[
0.8269554972648621,
0.6539109945297241,
0.75
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[
0.6539109945297241,
0.8269554972648621,
0.25
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[
0.17304450273513794,
0.8269554972648621,
0.25
],
[
0.17304450273513794,
0.3460890054702759,
0.25
]
] |
{
"a": 6.608874320983887,
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"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
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[
0.3333333432674408,
0.6666666865348816,
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0.15598492324352264,
0.75
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0.6880301833152771,
0.75
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[
0.6880301833152771,
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0.25
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[
0.15598492324352264,
0.8440150618553162,
0.25
],
[
0.15598492324352264,
0.3119698464870453,
0.25
]
] |
{
"a": 8.274725914001465,
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"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
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[
0.8290743231773376,
0.17092569172382355,
0.75
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[
0.8290743231773376,
0.6581485867500305,
0.75
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[
0.17092569172382355,
0.3418513834476471,
0.25
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0.17092569172382355,
0.8290743231773376,
0.25
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0.25
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0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 7.0481791496276855,
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"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
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[
0.8327829837799072,
0.16721700131893158,
0.75
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0.25
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[
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[
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0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.157931804656982,
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"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,
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0.75
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[
0.8320820927619934,
0.1679179072380066,
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0.3333333432674408,
0.25
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[
0.3333333432674408,
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0.75
]
] |
{
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"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
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[
0.17182545363903046,
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0.6563491225242615,
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0.8281745314598083,
0.6563491225242615,
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0.8281745314598083,
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0.75
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0.6666666865348816,
0.75
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[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 6.861023902893066,
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"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
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0.16516782343387604,
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0.3303356468677521,
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0.75
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[
0.6666666865348816,
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0.25
]
] |
{
"a": 7.308372974395752,
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"alpha": 90,
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"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,
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0.75
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0.8362768292427063,
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0.8362768292427063,
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0.1637231856584549,
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0.1637231856584549,
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0.25
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[
0.3333333432674408,
0.6666666865348816,
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]
] |
{
"a": 7.348130226135254,
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"c": 5.869288921356201,
"alpha": 90,
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}
| 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,
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0.75
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[
0.8342728018760681,
0.16572721302509308,
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0.8342728018760681,
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0.6685456037521362,
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0.16572721302509308,
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0.25
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0.3333333432674408,
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]
] |
{
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"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,
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0.75
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[
0.8320971727371216,
0.16790282726287842,
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0.8320971727371216,
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0.6641943454742432,
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0.3333333432674408,
0.25
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[
0.3333333432674408,
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]
] |
{
"a": 7.221557140350342,
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"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,
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0.25
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[
0.3333333432674408,
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0.3440130054950714,
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0.655987024307251,
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0.8279935121536255,
0.25
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[
0.1720065027475357,
0.3440130054950714,
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]
] |
{
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"alpha": 90,
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"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,
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0.25
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0.3333333432674408,
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0.8327561616897583,
0.25
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[
0.1672438681125641,
0.3344877362251282,
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]
] |
{
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"c": 5.836409091949463,
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}
| 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,
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0.75
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[
0.6666666865348816,
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0.8369697332382202,
0.25
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[
0.6739394664764404,
0.8369697332382202,
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]
] |
{
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"c": 5.1679792404174805,
"alpha": 90,
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"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,
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0.25
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[
0.3333333432674408,
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0.8446509838104248,
0.25
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[
0.155349001288414,
0.310698002576828,
0.25
]
] |
{
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"c": 4.5795698165893555,
"alpha": 90,
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"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,
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0.25
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[
0.3333333432674408,
0.6666666865348816,
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0.29805898666381836,
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0.8509705066680908,
0.25
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[
0.14902949333190918,
0.29805898666381836,
0.25
]
] |
{
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"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
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[
0.3333333432674408,
0.6666666865348816,
0.75
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0.8330101370811462,
0.25
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[
0.16698987782001495,
0.3339797556400299,
0.25
]
] |
{
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"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
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[
0.3333333432674408,
0.6666666865348816,
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[
0.33623206615448,
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0.83188396692276,
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0.83188396692276,
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0.75
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0.66376793384552,
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0.25
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[
0.16811603307724,
0.83188396692276,
0.25
],
[
0.16811603307724,
0.33623206615448,
0.25
]
] |
{
"a": 7.491004943847656,
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"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
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[
0.3333333432674408,
0.6666666865348816,
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0.33954301476478577,
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0.75
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[
0.8302285075187683,
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0.8302285075187683,
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0.75
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0.6604570150375366,
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0.25
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[
0.16977150738239288,
0.8302285075187683,
0.25
],
[
0.16977150738239288,
0.33954301476478577,
0.25
]
] |
{
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"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
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[
0.3333333432674408,
0.6666666865348816,
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[
0.33604058623313904,
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0.8319796919822693,
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0.6639594435691833,
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[
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0.8319796919822693,
0.25
],
[
0.16802029311656952,
0.33604058623313904,
0.25
]
] |
{
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"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,
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0.75
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[
0.8256474733352661,
0.1743524968624115,
0.75
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0.8256474733352661,
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0.651295006275177,
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0.1743524968624115,
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0.3333333432674408,
0.25
],
[
0.3333333432674408,
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]
] |
{
"a": 5.33721399307251,
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"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,
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0.25
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[
0.3333333432674408,
0.6666666865348816,
0.75
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[
0.3327708840370178,
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0.75
],
[
0.8336145281791687,
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0.8336145281791687,
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0.75
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[
0.6672291159629822,
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0.25
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[
0.1663854420185089,
0.8336145281791687,
0.25
],
[
0.1663854420185089,
0.3327708840370178,
0.25
]
] |
{
"a": 7.135977268218994,
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"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
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[
0.8350809812545776,
0.16491900384426117,
0.75
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[
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 |
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