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-1184334
|
[
"Er",
"Os"
] |
[
68,
68,
76,
76,
76,
76,
76,
76
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.32057398557662964,
0.16028699278831482,
0.75
],
[
0.8397129774093628,
0.16028699278831482,
0.75
],
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0.8397129774093628,
0.6794260144233704,
0.75
],
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0.6794260144233704,
0.8397129774093628,
0.25
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0.16028699278831482,
0.8397129774093628,
0.25
],
[
0.16028699278831482,
0.32057398557662964,
0.25
]
] |
{
"a": 5.778330326080322,
"b": 5.778330326080322,
"c": 4.602438926696777,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
ErOs3
|
hard_negative
| false
| null | 0
| 0.604785
| 0.344102
| true
|
[
"metallic"
] | null |
mp-1184346
|
[
"Fe",
"Hg"
] |
[
26,
26,
80,
80,
80,
80,
80,
80
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
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],
[
0.3488749861717224,
0.1744374930858612,
0.75
],
[
0.8255624771118164,
0.1744374930858612,
0.75
],
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0.8255624771118164,
0.6511250138282776,
0.75
],
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0.6511250138282776,
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0.25
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0.1744374930858612,
0.8255624771118164,
0.25
],
[
0.1744374930858612,
0.3488749861717224,
0.25
]
] |
{
"a": 6.434325695037842,
"b": 6.434325695037842,
"c": 4.6083478927612305,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
FeHg3
|
hard_negative
| false
| null | 0
| 0.460724
| 0.460724
| true
|
[
"metallic"
] | null |
mp-1184351
|
[
"B",
"Ga"
] |
[
31,
31,
31,
31,
31,
31,
5,
5
] | 8
| 2
|
[
[
0.391200989484787,
0.1956004947423935,
0.75
],
[
0.8043994903564453,
0.1956004947423935,
0.75
],
[
0.8043994903564453,
0.6087989807128906,
0.75
],
[
0.6087989807128906,
0.8043994903564453,
0.25
],
[
0.1956004947423935,
0.8043994903564453,
0.25
],
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0.1956004947423935,
0.391200989484787,
0.25
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0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.0633063316345215,
"b": 7.0633063316345215,
"c": 3.165379047393799,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Ga3B
|
hard_negative
| false
| null | 0
| 0.512043
| 0.512043
| true
|
[
"metallic"
] | null |
mp-1184355
|
[
"Ga",
"Ge"
] |
[
31,
31,
31,
31,
31,
31,
32,
32
] | 8
| 2
|
[
[
0.33273398876190186,
0.16636699438095093,
0.75
],
[
0.8336330056190491,
0.16636699438095093,
0.75
],
[
0.8336330056190491,
0.6672660112380981,
0.75
],
[
0.6672660112380981,
0.8336330056190491,
0.25
],
[
0.16636699438095093,
0.8336330056190491,
0.25
],
[
0.16636699438095093,
0.33273398876190186,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.181159973144531,
"b": 6.181159973144531,
"c": 4.727036952972412,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Ga3Ge
|
hard_negative
| false
| null | 0
| 0.095791
| 0.095791
| true
|
[
"metallic"
] | null |
mp-1184368
|
[
"Fe",
"Rh"
] |
[
26,
26,
45,
45,
45,
45,
45,
45
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16779913008213043,
0.33559826016426086,
0.25
],
[
0.6644017696380615,
0.8322008848190308,
0.25
],
[
0.16779913008213043,
0.8322008848190308,
0.25
],
[
0.8322008848190308,
0.6644017696380615,
0.75
],
[
0.33559826016426086,
0.16779913008213043,
0.75
],
[
0.8322008848190308,
0.16779913008213043,
0.75
]
] |
{
"a": 5.353420734405518,
"b": 5.353420734405518,
"c": 4.313724040985107,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
FeRh3
|
hard_negative
| false
| null | 0
| 0
| -0.030236
| true
|
[
"metallic"
] | null |
mp-1184373
|
[
"S",
"Fe"
] |
[
26,
26,
26,
26,
26,
26,
16,
16
] | 8
| 2
|
[
[
0.32353800535202026,
0.16176900267601013,
0.75
],
[
0.8382310271263123,
0.16176900267601013,
0.75
],
[
0.8382310271263123,
0.6764619946479797,
0.75
],
[
0.6764619946479797,
0.8382310271263123,
0.25
],
[
0.16176900267601013,
0.8382310271263123,
0.25
],
[
0.16176900267601013,
0.32353800535202026,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 5.167155742645264,
"b": 5.167155742645264,
"c": 4.254746913909912,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Fe3S
|
hard_negative
| false
| null | 0
| 0.394981
| 0.01626
| true
|
[
"sulfide",
"metallic"
] | null |
mp-1184374
|
[
"Fe",
"Ir"
] |
[
26,
26,
77,
77,
77,
77,
77,
77
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.33984899520874023,
0.16992449760437012,
0.75
],
[
0.8300755023956299,
0.16992449760437012,
0.75
],
[
0.8300755023956299,
0.6601510047912598,
0.75
],
[
0.6601510047912598,
0.8300755023956299,
0.25
],
[
0.16992449760437012,
0.8300755023956299,
0.25
],
[
0.16992449760437012,
0.33984899520874023,
0.25
]
] |
{
"a": 5.406572341918945,
"b": 5.406572341918945,
"c": 4.308860778808594,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
FeIr3
|
hard_negative
| false
| null | 0
| 0.029808
| -0.043276
| true
|
[
"metallic"
] | null |
mp-1184377
|
[
"Eu",
"Bi"
] |
[
63,
63,
63,
63,
63,
63,
83,
83
] | 8
| 2
|
[
[
0.34734100103378296,
0.17367050051689148,
0.75
],
[
0.8263295292854309,
0.17367050051689148,
0.75
],
[
0.8263295292854309,
0.652658998966217,
0.75
],
[
0.652658998966217,
0.8263295292854309,
0.25
],
[
0.17367050051689148,
0.8263295292854309,
0.25
],
[
0.17367050051689148,
0.34734100103378296,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.390676021575928,
"b": 7.390676021575928,
"c": 5.974675178527832,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Eu3Bi
|
hard_negative
| false
| null | 0
| 0.080676
| -0.619297
| true
|
[
"metallic"
] | null |
mp-1184386
|
[
"H",
"Eu"
] |
[
63,
63,
63,
63,
63,
63,
1,
1
] | 8
| 2
|
[
[
0.3366889953613281,
0.16834449768066406,
0.75
],
[
0.8316555023193359,
0.16834449768066406,
0.75
],
[
0.8316555023193359,
0.6633110046386719,
0.75
],
[
0.6633110046386719,
0.8316555023193359,
0.25
],
[
0.16834449768066406,
0.8316555023193359,
0.25
],
[
0.16834449768066406,
0.3366889953613281,
0.25
],
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0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.19547176361084,
"b": 7.19547176361084,
"c": 6.064946174621582,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Eu3H
|
hard_negative
| false
| null | 0
| 0.677161
| 0.419649
| true
|
[
"metallic"
] | null |
mp-1184391
|
[
"Cr",
"Eu"
] |
[
63,
63,
63,
63,
63,
63,
24,
24
] | 8
| 2
|
[
[
0.3450230062007904,
0.1725115031003952,
0.75
],
[
0.8274884819984436,
0.1725115031003952,
0.75
],
[
0.8274884819984436,
0.654977023601532,
0.75
],
[
0.654977023601532,
0.8274884819984436,
0.25
],
[
0.1725115031003952,
0.8274884819984436,
0.25
],
[
0.1725115031003952,
0.3450230062007904,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.49149751663208,
"b": 7.49149751663208,
"c": 5.886221885681152,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Eu3Cr
|
hard_negative
| false
| null | 0
| 0.424474
| 0.424474
| true
|
[
"metallic"
] | null |
mp-1184392
|
[
"Ag",
"Eu"
] |
[
63,
63,
47,
47,
47,
47,
47,
47
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.2878369987010956,
0.1439184993505478,
0.75
],
[
0.856081485748291,
0.1439184993505478,
0.75
],
[
0.856081485748291,
0.712162971496582,
0.75
],
[
0.712162971496582,
0.856081485748291,
0.25
],
[
0.1439184993505478,
0.856081485748291,
0.25
],
[
0.1439184993505478,
0.2878369987010956,
0.25
]
] |
{
"a": 6.754365921020508,
"b": 6.754365921020508,
"c": 4.827991962432861,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
EuAg3
|
hard_negative
| false
| null | 0
| 0.064853
| -0.176122
| true
|
[
"metallic"
] | null |
mp-1184394
|
[
"Mg",
"Eu"
] |
[
63,
63,
63,
63,
63,
63,
12,
12
] | 8
| 2
|
[
[
0.3422739803791046,
0.1711369901895523,
0.75
],
[
0.8288630247116089,
0.657725989818573,
0.75
],
[
0.8288630247116089,
0.1711369901895523,
0.75
],
[
0.1711369901895523,
0.8288630247116089,
0.25
],
[
0.1711369901895523,
0.3422739803791046,
0.25
],
[
0.657725989818573,
0.8288630247116089,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 7.582160472869873,
"b": 7.582160472869873,
"c": 6.038517475128174,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Eu3Mg
|
hard_negative
| false
| null | 0
| 0.042709
| 0.0105
| true
|
[
"metallic"
] | null |
mp-1184396
|
[
"Eu",
"Er"
] |
[
63,
63,
63,
63,
63,
63,
68,
68
] | 8
| 2
|
[
[
0.3398190140724182,
0.1699095070362091,
0.75
],
[
0.8300905227661133,
0.1699095070362091,
0.75
],
[
0.8300905227661133,
0.6601809859275818,
0.75
],
[
0.6601809859275818,
0.8300905227661133,
0.25
],
[
0.1699095070362091,
0.8300905227661133,
0.25
],
[
0.1699095070362091,
0.3398190140724182,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.655846118927002,
"b": 7.655846118927002,
"c": 6.158740043640137,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Eu3Er
|
hard_negative
| false
| null | 0
| 0.081878
| 0.081878
| true
|
[
"metallic"
] | null |
mp-1184402
|
[
"Eu",
"Dy"
] |
[
63,
63,
63,
63,
63,
63,
66,
66
] | 8
| 2
|
[
[
0.33917099237442017,
0.16958549618721008,
0.75
],
[
0.8304144740104675,
0.16958549618721008,
0.75
],
[
0.8304144740104675,
0.6608290076255798,
0.75
],
[
0.6608290076255798,
0.8304144740104675,
0.25
],
[
0.16958549618721008,
0.8304144740104675,
0.25
],
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0.16958549618721008,
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0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.64329195022583,
"b": 7.64329195022583,
"c": 6.2001848220825195,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Eu3Dy
|
hard_negative
| false
| null | 0
| 0.081385
| 0.081385
| true
|
[
"metallic"
] | null |
mp-1184407
|
[
"Eu",
"Ho"
] |
[
63,
63,
63,
63,
63,
63,
67,
67
] | 8
| 2
|
[
[
0.3401220142841339,
0.17006100714206696,
0.75
],
[
0.8299390077590942,
0.17006100714206696,
0.75
],
[
0.8299390077590942,
0.6598780155181885,
0.75
],
[
0.6598780155181885,
0.8299390077590942,
0.25
],
[
0.17006100714206696,
0.8299390077590942,
0.25
],
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0.17006100714206696,
0.3401220142841339,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.642037391662598,
"b": 7.642037391662598,
"c": 6.120319843292236,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Eu3Ho
|
hard_negative
| false
| null | 0
| 0.082721
| 0.082721
| true
|
[
"metallic"
] | null |
mp-1184413
|
[
"Fe",
"Au"
] |
[
26,
26,
26,
26,
26,
26,
79,
79
] | 8
| 2
|
[
[
0.3104960024356842,
0.1552480012178421,
0.75
],
[
0.8447520136833191,
0.1552480012178421,
0.75
],
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0.8447520136833191,
0.6895040273666382,
0.75
],
[
0.6895040273666382,
0.8447520136833191,
0.25
],
[
0.1552480012178421,
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0.25
],
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0.1552480012178421,
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0.25
],
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0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 5.395986557006836,
"b": 5.395986557006836,
"c": 4.298006057739258,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Fe3Au
|
hard_negative
| false
| null | 0
| 0.153562
| 0.153562
| true
|
[
"metallic"
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mp-1184419
|
[
"Eu",
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[
63,
63,
79,
79,
79,
79,
79,
79
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|
[
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}
| 194
|
EuAu3
|
hard_negative
| false
| null | 0
| 0.038978
| -0.547882
| true
|
[
"metallic"
] | null |
mp-1184421
|
[
"Cd",
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[
64,
64,
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64,
64,
64,
48,
48
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|
[
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| 194
|
Gd3Cd
|
hard_negative
| false
| null | 0
| 0.046261
| -0.132124
| true
|
[
"metallic"
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mp-1184432
|
[
"Eu",
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[
63,
63,
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63,
63,
71,
71
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|
[
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| 194
|
Eu3Lu
|
hard_negative
| false
| null | 0
| 0.087061
| 0.087061
| true
|
[
"metallic"
] | null |
mp-1184436
|
[
"O",
"Eu"
] |
[
63,
63,
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8,
8,
8,
8
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|
[
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| 194
|
EuO3
|
hard_negative
| false
| null | 0
| 0.581634
| -1.571599
| true
|
[
"oxide",
"metallic"
] | null |
mp-1184441
|
[
"Nb",
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[
63,
63,
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63,
63,
63,
41,
41
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| 2
|
[
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| 194
|
Eu3Nb
|
hard_negative
| false
| null | 0
| 0.597865
| 0.597865
| true
|
[
"metallic"
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mp-1184443
|
[
"Eu",
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] |
[
63,
63,
63,
63,
63,
63,
69,
69
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| 2
|
[
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| 194
|
Eu3Tm
|
hard_negative
| false
| null | 0
| 0.083478
| 0.083478
| true
|
[
"metallic"
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mp-1184444
|
[
"Fe",
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[
26,
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29,
29,
29,
29,
29
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| 2
|
[
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| 194
|
FeCu3
|
hard_negative
| false
| null | 0
| 0.181251
| 0.181251
| true
|
[
"metallic"
] | null |
mp-1184450
|
[
"Ga",
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] |
[
31,
31,
82,
82,
82,
82,
82,
82
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|
[
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{
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| 194
|
GaPb3
|
hard_negative
| false
| null | 0
| 0.078818
| 0.078818
| true
|
[
"metallic"
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mp-1184454
|
[
"Nb",
"Eu"
] |
[
63,
63,
41,
41,
41,
41,
41,
41
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| 2
|
[
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{
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| 194
|
EuNb3
|
hard_negative
| false
| null | 0
| 0.584402
| 0.584402
| true
|
[
"metallic"
] | null |
mp-1184466
|
[
"In",
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] |
[
63,
63,
49,
49,
49,
49,
49,
49
] | 8
| 2
|
[
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{
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| 194
|
EuIn3
|
hard_negative
| false
| null | 0
| 0.00093
| -0.359507
| true
|
[
"metallic"
] | null |
mp-1184472
|
[
"Fe",
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] |
[
26,
26,
32,
32,
32,
32,
32,
32
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| 2
|
[
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{
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| 194
|
FeGe3
|
hard_negative
| false
| null | 0
| 0.484404
| 0.423331
| true
|
[
"metallic"
] | null |
mp-1184474
|
[
"Ag",
"Gd"
] |
[
64,
64,
47,
47,
47,
47,
47,
47
] | 8
| 2
|
[
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] |
{
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}
| 194
|
GdAg3
|
hard_negative
| false
| null | 0
| 1.243892
| 1.056184
| true
|
[
"metallic"
] | null |
mp-1184475
|
[
"Y",
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] |
[
63,
63,
63,
63,
63,
63,
39,
39
] | 8
| 2
|
[
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{
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}
| 194
|
Eu3Y
|
hard_negative
| false
| null | 0
| 0.071058
| 0.071058
| true
|
[
"metallic"
] | null |
mp-1184496
|
[
"Gd",
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] |
[
64,
64,
64,
64,
64,
64,
71,
71
] | 8
| 2
|
[
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{
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| 194
|
Gd3Lu
|
hard_negative
| false
| null | 0
| 0
| -0.005007
| true
|
[
"metallic"
] | null |
mp-1184501
|
[
"Gd",
"Bi"
] |
[
64,
64,
83,
83,
83,
83,
83,
83
] | 8
| 2
|
[
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] |
{
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}
| 194
|
GdBi3
|
hard_negative
| false
| null | 0
| 0.165008
| -0.364194
| true
|
[
"metallic"
] | null |
mp-1184504
|
[
"Eu",
"W"
] |
[
63,
63,
63,
63,
63,
63,
74,
74
] | 8
| 2
|
[
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] |
{
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}
| 194
|
Eu3W
|
hard_negative
| false
| null | 0
| 0.784448
| 0.784448
| true
|
[
"metallic"
] | null |
mp-1184506
|
[
"In",
"Au"
] |
[
49,
49,
49,
49,
49,
49,
79,
79
] | 8
| 2
|
[
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{
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}
| 194
|
In3Au
|
hard_negative
| false
| null | 0
| 0.161638
| -0.077128
| true
|
[
"metallic"
] | null |
mp-1184515
|
[
"In",
"Eu"
] |
[
63,
63,
63,
63,
63,
63,
49,
49
] | 8
| 2
|
[
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] |
{
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}
| 194
|
Eu3In
|
hard_negative
| false
| null | 0
| 0.025883
| -0.225411
| true
|
[
"metallic"
] | null |
mp-1184517
|
[
"Ag",
"In"
] |
[
49,
49,
49,
49,
49,
49,
47,
47
] | 8
| 2
|
[
[
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] |
{
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}
| 194
|
In3Ag
|
hard_negative
| false
| null | 0
| 0.08472
| 0.047216
| true
|
[
"metallic"
] | null |
mp-1184519
|
[
"Cl",
"In"
] |
[
49,
49,
49,
49,
49,
49,
17,
17
] | 8
| 2
|
[
[
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[
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] |
{
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}
| 194
|
In3Cl
|
hard_negative
| false
| null | 0
| 0.212036
| -0.243302
| true
|
[
"halide",
"metallic"
] | null |
mp-1184529
|
[
"Br",
"Eu"
] |
[
63,
63,
35,
35,
35,
35,
35,
35
] | 8
| 2
|
[
[
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[
0.1728294938802719,
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] |
{
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}
| 194
|
EuBr3
|
hard_negative
| false
| null | 0
| 0.280806
| -1.676734
| true
|
[
"halide",
"metallic"
] | null |
mp-1184530
|
[
"Si",
"Gd"
] |
[
64,
64,
64,
64,
64,
64,
14,
14
] | 8
| 2
|
[
[
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0.6666666865348816,
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[
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]
] |
{
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}
| 194
|
Gd3Si
|
hard_negative
| false
| null | 0
| 0.131893
| -0.263181
| true
|
[
"metallic"
] | null |
mp-1184539
|
[
"Eu",
"Th"
] |
[
63,
63,
90,
90,
90,
90,
90,
90
] | 8
| 2
|
[
[
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0.834055483341217,
0.25
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[
0.16594450175762177,
0.33188900351524353,
0.25
]
] |
{
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}
| 194
|
EuTh3
|
hard_negative
| false
| null | 0
| 0.176127
| 0.176127
| true
|
[
"metallic"
] | null |
mp-1184541
|
[
"S",
"Eu"
] |
[
63,
63,
63,
63,
63,
63,
16,
16
] | 8
| 2
|
[
[
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0.798225998878479,
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0.3333333432674408,
0.25
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[
0.3333333432674408,
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]
] |
{
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}
| 194
|
Eu3S
|
hard_negative
| false
| null | 0
| 0.394953
| -0.83633
| true
|
[
"sulfide",
"metallic"
] | null |
mp-1184606
|
[
"H",
"Pt"
] |
[
1,
1,
78,
78,
78,
78,
78,
78
] | 8
| 2
|
[
[
0.6666666865348816,
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0.25
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0.8284810185432434,
0.25
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[
0.17151899635791779,
0.34303799271583557,
0.25
]
] |
{
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}
| 194
|
HPt3
|
hard_negative
| false
| null | 0
| 0.563609
| 0.563609
| true
|
[
"metallic"
] | null |
mp-1184638
|
[
"Al",
"Ho"
] |
[
67,
67,
13,
13,
13,
13,
13,
13
] | 8
| 2
|
[
[
0.3333333432674408,
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0.1470179557800293,
0.75
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[
0.2940359115600586,
0.1470179557800293,
0.75
]
] |
{
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}
| 194
|
HoAl3
|
hard_negative
| false
| null | 0
| 0
| -0.471237
| true
|
[
"metallic"
] | null |
mp-1184653
|
[
"H",
"W"
] |
[
1,
1,
74,
74,
74,
74,
74,
74
] | 8
| 2
|
[
[
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0.75
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[
0.8348349928855896,
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] |
{
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"c": 4.3823771476745605,
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}
| 194
|
HW3
|
hard_negative
| false
| null | 0
| 1.089287
| 1.089287
| true
|
[
"metallic"
] | null |
mp-1184661
|
[
"I",
"Hf"
] |
[
72,
72,
72,
72,
72,
72,
53,
53
] | 8
| 2
|
[
[
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0.25
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0.1615079939365387,
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[
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] |
{
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}
| 194
|
Hf3I
|
hard_negative
| false
| null | 0
| 0.661089
| 0.272925
| true
|
[
"halide",
"metallic"
] | null |
mp-1184666
|
[
"P",
"Hf"
] |
[
72,
72,
15,
15,
15,
15,
15,
15
] | 8
| 2
|
[
[
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0.25
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0.8091254830360413,
0.25
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[
0.19087450206279755,
0.3817490041255951,
0.25
]
] |
{
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}
| 194
|
HfP3
|
hard_negative
| false
| null | 0
| 0.511836
| -0.239459
| true
|
[
"metallic"
] | null |
mp-1184668
|
[
"Si",
"Hf"
] |
[
72,
72,
72,
72,
72,
72,
14,
14
] | 8
| 2
|
[
[
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0.25
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0.17083099484443665,
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] |
{
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}
| 194
|
Hf3Si
|
hard_negative
| false
| null | 0
| 0.296747
| -0.29653
| true
|
[
"metallic"
] | null |
mp-1184670
|
[
"Al",
"Hf"
] |
[
72,
72,
72,
72,
72,
72,
13,
13
] | 8
| 2
|
[
[
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0.75
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] |
{
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}
| 194
|
Hf3Al
|
hard_negative
| false
| null | 0
| 0.019307
| -0.241141
| true
|
[
"metallic"
] | null |
mp-1184672
|
[
"Ti",
"Hf"
] |
[
72,
72,
22,
22,
22,
22,
22,
22
] | 8
| 2
|
[
[
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0.25
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[
0.16143696010112762,
0.32287392020225525,
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]
] |
{
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}
| 194
|
HfTi3
|
hard_negative
| false
| null | 0
| 0.028594
| 0.028594
| true
|
[
"metallic"
] | null |
mp-1184675
|
[
"H",
"Hf"
] |
[
72,
72,
1,
1,
1,
1,
1,
1
] | 8
| 2
|
[
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[
0.18101799488067627,
0.36203598976135254,
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]
] |
{
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}
| 194
|
HfH3
|
hard_negative
| false
| null | 0
| 0.108931
| -0.297764
| true
|
[
"metallic"
] | null |
mp-1184676
|
[
"Sn",
"Hf"
] |
[
72,
72,
72,
72,
72,
72,
50,
50
] | 8
| 2
|
[
[
0.3328973054885864,
0.1664486527442932,
0.75
],
[
0.8335513472557068,
0.1664486527442932,
0.75
],
[
0.8335513472557068,
0.6671026945114136,
0.75
],
[
0.6671026945114136,
0.8335513472557068,
0.25
],
[
0.1664486527442932,
0.8335513472557068,
0.25
],
[
0.1664486527442932,
0.3328973054885864,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.24216365814209,
"b": 6.24216365814209,
"c": 5.070851802825928,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Hf3Sn
|
hard_negative
| false
| null | 0
| 0.034528
| -0.250182
| true
|
[
"metallic"
] | null |
mp-1184681
|
[
"Sc",
"Hf"
] |
[
72,
72,
72,
72,
72,
72,
21,
21
] | 8
| 2
|
[
[
0.3327997028827667,
0.16639985144138336,
0.75
],
[
0.8336001634597778,
0.16639985144138336,
0.75
],
[
0.8336001634597778,
0.6672003269195557,
0.75
],
[
0.6672003269195557,
0.8336001634597778,
0.25
],
[
0.16639985144138336,
0.8336001634597778,
0.25
],
[
0.16639985144138336,
0.3327997028827667,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.432881832122803,
"b": 6.432881832122803,
"c": 5.033782482147217,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Hf3Sc
|
hard_negative
| false
| null | 0
| 0.015776
| 0.013863
| true
|
[
"metallic"
] | null |
mp-1184683
|
[
"Ge",
"Sb"
] |
[
32,
32,
51,
51,
51,
51,
51,
51
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3479430079460144,
0.1739715039730072,
0.75
],
[
0.8260285258293152,
0.1739715039730072,
0.75
],
[
0.8260285258293152,
0.6520569920539856,
0.75
],
[
0.6520569920539856,
0.8260285258293152,
0.25
],
[
0.1739715039730072,
0.8260285258293152,
0.25
],
[
0.1739715039730072,
0.3479430079460144,
0.25
]
] |
{
"a": 6.699929714202881,
"b": 6.699929714202881,
"c": 5.287047863006592,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
GeSb3
|
hard_negative
| false
| null | 0
| 0.15229
| 0.15229
| true
|
[
"metallic"
] | null |
mp-1184685
|
[
"P",
"Hg"
] |
[
80,
80,
80,
80,
80,
80,
15,
15
] | 8
| 2
|
[
[
0.16848400235176086,
0.33696800470352173,
0.25
],
[
0.16848400235176086,
0.8315160274505615,
0.25
],
[
0.6630319952964783,
0.8315160274505615,
0.25
],
[
0.8315160274505615,
0.6630319952964783,
0.75
],
[
0.8315160274505615,
0.16848400235176086,
0.75
],
[
0.33696800470352173,
0.16848400235176086,
0.75
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 5.98143196105957,
"b": 5.98143196105957,
"c": 6.053852081298828,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Hg3P
|
hard_negative
| false
| null | 0
| 0.437363
| 0.437363
| true
|
[
"metallic"
] | null |
mp-1184688
|
[
"Ge",
"Hg"
] |
[
80,
80,
80,
80,
80,
80,
32,
32
] | 8
| 2
|
[
[
0.3372670114040375,
0.16863350570201874,
0.75
],
[
0.8313664793968201,
0.16863350570201874,
0.75
],
[
0.8313664793968201,
0.6627330183982849,
0.75
],
[
0.6627330183982849,
0.8313664793968201,
0.25
],
[
0.16863350570201874,
0.8313664793968201,
0.25
],
[
0.16863350570201874,
0.3372670114040375,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.470458030700684,
"b": 6.470458030700684,
"c": 5.247243881225586,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Hg3Ge
|
hard_negative
| false
| null | 0
| 0.254914
| 0.254914
| true
|
[
"metallic"
] | null |
mp-1184697
|
[
"Hg",
"Bi"
] |
[
80,
80,
80,
80,
80,
80,
83,
83
] | 8
| 2
|
[
[
0.33069100975990295,
0.16534550487995148,
0.75
],
[
0.8346545100212097,
0.16534550487995148,
0.75
],
[
0.8346545100212097,
0.6693090200424194,
0.75
],
[
0.6693090200424194,
0.8346545100212097,
0.25
],
[
0.16534550487995148,
0.8346545100212097,
0.25
],
[
0.16534550487995148,
0.33069100975990295,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.742122173309326,
"b": 6.742122173309326,
"c": 5.518650054931641,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Hg3Bi
|
hard_negative
| false
| null | 0
| 0.138936
| 0.138936
| true
|
[
"metallic"
] | null |
mp-1184698
|
[
"Hf",
"Th"
] |
[
72,
72,
72,
72,
72,
72,
90,
90
] | 8
| 2
|
[
[
0.3105640113353729,
0.15528200566768646,
0.75
],
[
0.8447179794311523,
0.15528200566768646,
0.75
],
[
0.8447179794311523,
0.6894360184669495,
0.75
],
[
0.6894360184669495,
0.8447179794311523,
0.25
],
[
0.15528200566768646,
0.8447179794311523,
0.25
],
[
0.15528200566768646,
0.3105640113353729,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.652914047241211,
"b": 6.652914047241211,
"c": 5.273542881011963,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Hf3Th
|
hard_negative
| false
| null | 0
| 0.127648
| 0.127648
| true
|
[
"metallic"
] | null |
mp-1184700
|
[
"Hg",
"Pb"
] |
[
80,
80,
80,
80,
80,
80,
82,
82
] | 8
| 2
|
[
[
0.323677122592926,
0.161838561296463,
0.75
],
[
0.8381614685058594,
0.161838561296463,
0.75
],
[
0.8381614685058594,
0.676322877407074,
0.75
],
[
0.676322877407074,
0.8381614685058594,
0.25
],
[
0.161838561296463,
0.8381614685058594,
0.25
],
[
0.161838561296463,
0.323677122592926,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.869678974151611,
"b": 6.869678974151611,
"c": 5.147793292999268,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Hg3Pb
|
hard_negative
| false
| null | 0
| 0.068346
| 0.068346
| true
|
[
"metallic"
] | null |
mp-1184702
|
[
"Pd",
"Hg"
] |
[
80,
80,
80,
80,
80,
80,
46,
46
] | 8
| 2
|
[
[
0.16864900290966034,
0.3372980058193207,
0.25
],
[
0.16864900290966034,
0.8313509821891785,
0.25
],
[
0.6627020239830017,
0.8313509821891785,
0.25
],
[
0.8313509821891785,
0.6627020239830017,
0.75
],
[
0.8313509821891785,
0.16864900290966034,
0.75
],
[
0.3372980058193207,
0.16864900290966034,
0.75
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 5.940576076507568,
"b": 5.940576076507568,
"c": 5.488061904907227,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Hg3Pd
|
hard_negative
| false
| null | 0
| 0.13105
| 0.047692
| true
|
[
"metallic"
] | null |
mp-1184705
|
[
"Au",
"Hg"
] |
[
80,
80,
79,
79,
79,
79,
79,
79
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.33032652735710144,
0.16516326367855072,
0.75
],
[
0.8348367214202881,
0.16516326367855072,
0.75
],
[
0.8348367214202881,
0.669673502445221,
0.75
],
[
0.669673502445221,
0.8348367214202881,
0.25
],
[
0.16516326367855072,
0.8348367214202881,
0.25
],
[
0.16516326367855072,
0.33032652735710144,
0.25
]
] |
{
"a": 5.85820198059082,
"b": 5.85820198059082,
"c": 4.982613563537598,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
HgAu3
|
hard_negative
| false
| null | 0
| 0.042604
| 0.04153
| true
|
[
"metallic"
] | null |
mp-1184706
|
[
"Si",
"Ho"
] |
[
67,
67,
67,
67,
67,
67,
14,
14
] | 8
| 2
|
[
[
0.17484399676322937,
0.34968799352645874,
0.25
],
[
0.6503120064735413,
0.8251559734344482,
0.25
],
[
0.17484399676322937,
0.8251559734344482,
0.25
],
[
0.8251559734344482,
0.6503120064735413,
0.75
],
[
0.8251559734344482,
0.17484399676322937,
0.75
],
[
0.34968799352645874,
0.17484399676322937,
0.75
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 6.6206817626953125,
"b": 6.6206817626953125,
"c": 5.177674770355225,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Ho3Si
|
hard_negative
| false
| null | 0
| 0.22102
| -0.299496
| true
|
[
"metallic"
] | null |
mp-1184707
|
[
"Sc",
"Ho"
] |
[
67,
67,
67,
67,
67,
67,
21,
21
] | 8
| 2
|
[
[
0.33828264474868774,
0.16914132237434387,
0.75
],
[
0.8308586478233337,
0.16914132237434387,
0.75
],
[
0.8308586478233337,
0.6617173552513123,
0.75
],
[
0.6617173552513123,
0.8308586478233337,
0.25
],
[
0.16914132237434387,
0.8308586478233337,
0.25
],
[
0.16914132237434387,
0.33828264474868774,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.074584484100342,
"b": 7.074584484100342,
"c": 5.465519428253174,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Ho3Sc
|
hard_negative
| false
| null | 0
| 0.024329
| 0.024329
| true
|
[
"metallic"
] | null |
mp-1184712
|
[
"Ge",
"Au"
] |
[
32,
32,
79,
79,
79,
79,
79,
79
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.33269599080085754,
0.16634799540042877,
0.75
],
[
0.8336520195007324,
0.16634799540042877,
0.75
],
[
0.8336520195007324,
0.6673039793968201,
0.75
],
[
0.6673039793968201,
0.8336520195007324,
0.25
],
[
0.16634799540042877,
0.8336520195007324,
0.25
],
[
0.16634799540042877,
0.33269599080085754,
0.25
]
] |
{
"a": 5.760192394256592,
"b": 5.760192394256592,
"c": 5.163224220275879,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
GeAu3
|
hard_negative
| false
| null | 0
| 0.071613
| 0.071613
| true
|
[
"metallic"
] | null |
mp-1184713
|
[
"Hf",
"Bi"
] |
[
72,
72,
72,
72,
72,
72,
83,
83
] | 8
| 2
|
[
[
0.32449400424957275,
0.16224700212478638,
0.75
],
[
0.8377529978752136,
0.16224700212478638,
0.75
],
[
0.8377529978752136,
0.6755059957504272,
0.75
],
[
0.6755059957504272,
0.8377529978752136,
0.25
],
[
0.16224700212478638,
0.8377529978752136,
0.25
],
[
0.16224700212478638,
0.32449400424957275,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.328641891479492,
"b": 6.328641891479492,
"c": 5.234793186187744,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Hf3Bi
|
hard_negative
| false
| null | 0
| 0.086163
| -0.058949
| true
|
[
"metallic"
] | null |
mp-1184714
|
[
"As",
"Ho"
] |
[
67,
67,
33,
33,
33,
33,
33,
33
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3603940010070801,
0.18019700050354004,
0.75
],
[
0.81980299949646,
0.18019700050354004,
0.75
],
[
0.81980299949646,
0.6396059989929199,
0.75
],
[
0.6396059989929199,
0.81980299949646,
0.25
],
[
0.18019700050354004,
0.81980299949646,
0.25
],
[
0.18019700050354004,
0.3603940010070801,
0.25
]
] |
{
"a": 5.9888763427734375,
"b": 5.9888763427734375,
"c": 5.466348171234131,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
HoAs3
|
hard_negative
| false
| null | 0
| 0.280595
| -0.618715
| true
|
[
"metallic"
] | null |
mp-1184718
|
[
"Ho",
"Er"
] |
[
67,
67,
67,
67,
67,
67,
68,
68
] | 8
| 2
|
[
[
0.1669149398803711,
0.3338298797607422,
0.25
],
[
0.6661701202392578,
0.8330850601196289,
0.25
],
[
0.1669149398803711,
0.8330850601196289,
0.25
],
[
0.8330850601196289,
0.6661701202392578,
0.75
],
[
0.3338298797607422,
0.1669149398803711,
0.75
],
[
0.8330850601196289,
0.1669149398803711,
0.75
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 7.2117390632629395,
"b": 7.2117390632629395,
"c": 5.539505481719971,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Ho3Er
|
hard_negative
| false
| null | 0
| 0.011822
| 0.006063
| true
|
[
"metallic"
] | null |
mp-1184720
|
[
"Br",
"Hg"
] |
[
80,
80,
35,
35,
35,
35,
35,
35
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3933280110359192,
0.1966640055179596,
0.75
],
[
0.8033360242843628,
0.1966640055179596,
0.75
],
[
0.8033360242843628,
0.6066719889640808,
0.75
],
[
0.6066719889640808,
0.8033360242843628,
0.25
],
[
0.1966640055179596,
0.8033360242843628,
0.25
],
[
0.1966640055179596,
0.3933280110359192,
0.25
]
] |
{
"a": 8.94517993927002,
"b": 8.94517993927002,
"c": 3.8431410789489746,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
HgBr3
|
hard_negative
| false
| null | 0
| 0.15258
| -0.468998
| true
|
[
"halide",
"metallic"
] | null |
mp-1184721
|
[
"Co",
"Hf"
] |
[
72,
72,
27,
27,
27,
27,
27,
27
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3098759949207306,
0.1549379974603653,
0.75
],
[
0.8450620174407959,
0.1549379974603653,
0.75
],
[
0.8450620174407959,
0.690123975276947,
0.75
],
[
0.690123975276947,
0.8450620174407959,
0.25
],
[
0.1549379974603653,
0.8450620174407959,
0.25
],
[
0.1549379974603653,
0.3098759949207306,
0.25
]
] |
{
"a": 5.334022045135498,
"b": 5.334022045135498,
"c": 4.240984916687012,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
HfCo3
|
hard_negative
| false
| null | 0
| 0.082043
| -0.169023
| true
|
[
"metallic"
] | null |
mp-1184722
|
[
"Ho",
"Th"
] |
[
67,
67,
67,
67,
67,
67,
90,
90
] | 8
| 2
|
[
[
0.3352583348751068,
0.1676291674375534,
0.75
],
[
0.8323708176612854,
0.1676291674375534,
0.75
],
[
0.8323708176612854,
0.6647416949272156,
0.75
],
[
0.6647416949272156,
0.8323708176612854,
0.25
],
[
0.1676291674375534,
0.8323708176612854,
0.25
],
[
0.1676291674375534,
0.3352583348751068,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.163161754608154,
"b": 7.163161754608154,
"c": 5.731044769287109,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Ho3Th
|
hard_negative
| false
| null | 0
| 0.042878
| 0.042878
| true
|
[
"metallic"
] | null |
mp-1184723
|
[
"Zr",
"Hf"
] |
[
72,
72,
40,
40,
40,
40,
40,
40
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3345530033111572,
0.1672765016555786,
0.75
],
[
0.8327234983444214,
0.1672765016555786,
0.75
],
[
0.8327234983444214,
0.6654469966888428,
0.75
],
[
0.6654469966888428,
0.8327234983444214,
0.25
],
[
0.1672765016555786,
0.8327234983444214,
0.25
],
[
0.1672765016555786,
0.3345530033111572,
0.25
]
] |
{
"a": 6.458840847015381,
"b": 6.458840847015381,
"c": 5.130832195281982,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
HfZr3
|
hard_negative
| false
| null | 0
| 0.002438
| 0.002438
| true
|
[
"metallic"
] | null |
mp-1184725
|
[
"B",
"Hg"
] |
[
80,
80,
80,
80,
80,
80,
5,
5
] | 8
| 2
|
[
[
0.1717595010995865,
0.343519002199173,
0.25
],
[
0.6564810276031494,
0.8282405138015747,
0.25
],
[
0.1717595010995865,
0.8282405138015747,
0.25
],
[
0.8282405138015747,
0.6564810276031494,
0.75
],
[
0.343519002199173,
0.1717595010995865,
0.75
],
[
0.8282405138015747,
0.1717595010995865,
0.75
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 6.158021926879883,
"b": 6.158021926879883,
"c": 5.1722331047058105,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Hg3B
|
hard_negative
| false
| null | 0
| 1.055307
| 1.055307
| true
|
[
"metallic"
] | null |
mp-1184726
|
[
"Ge",
"Hg"
] |
[
80,
80,
32,
32,
32,
32,
32,
32
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3217099905014038,
0.1608549952507019,
0.75
],
[
0.8391450047492981,
0.1608549952507019,
0.75
],
[
0.8391450047492981,
0.6782900094985962,
0.75
],
[
0.6782900094985962,
0.8391450047492981,
0.25
],
[
0.1608549952507019,
0.8391450047492981,
0.25
],
[
0.1608549952507019,
0.3217099905014038,
0.25
]
] |
{
"a": 6.250165939331055,
"b": 6.250165939331055,
"c": 5.050270080566406,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
HgGe3
|
hard_negative
| false
| null | 0
| 0.348929
| 0.348929
| true
|
[
"metallic"
] | null |
mp-1184727
|
[
"Rh",
"Hg"
] |
[
80,
80,
80,
80,
80,
80,
45,
45
] | 8
| 2
|
[
[
0.3418479859828949,
0.17092399299144745,
0.75
],
[
0.8290759921073914,
0.17092399299144745,
0.75
],
[
0.8290759921073914,
0.6581519842147827,
0.75
],
[
0.6581519842147827,
0.8290759921073914,
0.25
],
[
0.17092399299144745,
0.8290759921073914,
0.25
],
[
0.17092399299144745,
0.3418479859828949,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.012420177459717,
"b": 6.012420177459717,
"c": 5.067215919494629,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Hg3Rh
|
hard_negative
| false
| null | 0
| 0.2244
| 0.211941
| true
|
[
"metallic"
] | null |
mp-1184728
|
[
"Ge",
"Pt"
] |
[
32,
32,
32,
32,
32,
32,
78,
78
] | 8
| 2
|
[
[
0.36551299691200256,
0.18275649845600128,
0.75
],
[
0.8172435164451599,
0.18275649845600128,
0.75
],
[
0.8172435164451599,
0.634486973285675,
0.75
],
[
0.634486973285675,
0.8172435164451599,
0.25
],
[
0.18275649845600128,
0.8172435164451599,
0.25
],
[
0.18275649845600128,
0.36551299691200256,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.7882819175720215,
"b": 6.7882819175720215,
"c": 3.882827043533325,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Ge3Pt
|
hard_negative
| false
| null | 0
| 0.325833
| 0.062358
| true
|
[
"metallic"
] | null |
mp-1184730
|
[
"Ni",
"Hf"
] |
[
72,
72,
28,
28,
28,
28,
28,
28
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.15717850625514984,
0.3143570125102997,
0.25
],
[
0.6856430172920227,
0.842821478843689,
0.25
],
[
0.15717850625514984,
0.842821478843689,
0.25
],
[
0.842821478843689,
0.6856430172920227,
0.75
],
[
0.3143570125102997,
0.15717850625514984,
0.75
],
[
0.842821478843689,
0.15717850625514984,
0.75
]
] |
{
"a": 5.266348361968994,
"b": 5.266348361968994,
"c": 4.290737152099609,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
HfNi3
|
hard_negative
| false
| null | 0
| 0.011648
| -0.50597
| true
|
[
"metallic"
] | null |
mp-1184746
|
[
"Ho",
"Bi"
] |
[
67,
67,
83,
83,
83,
83,
83,
83
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3455069959163666,
0.1727534979581833,
0.75
],
[
0.8272464871406555,
0.1727534979581833,
0.75
],
[
0.8272464871406555,
0.654492974281311,
0.75
],
[
0.654492974281311,
0.8272464871406555,
0.25
],
[
0.1727534979581833,
0.8272464871406555,
0.25
],
[
0.1727534979581833,
0.3455069959163666,
0.25
]
] |
{
"a": 6.832281589508057,
"b": 6.832281589508057,
"c": 6.01991081237793,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
HoBi3
|
hard_negative
| false
| null | 0
| 0.101646
| -0.420993
| true
|
[
"metallic"
] | null |
mp-1184747
|
[
"Ni",
"Hf"
] |
[
72,
72,
72,
72,
72,
72,
28,
28
] | 8
| 2
|
[
[
0.8281630277633667,
0.1718370020389557,
0.75
],
[
0.3436740040779114,
0.1718370020389557,
0.75
],
[
0.1718370020389557,
0.3436740040779114,
0.25
],
[
0.1718370020389557,
0.8281630277633667,
0.25
],
[
0.6563259959220886,
0.8281630277633667,
0.25
],
[
0.8281630277633667,
0.6563259959220886,
0.75
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 5.923996448516846,
"b": 5.923996448516846,
"c": 4.994948863983154,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Hf3Ni
|
hard_negative
| false
| null | 0
| 0.298583
| 0.04024
| true
|
[
"metallic"
] | null |
mp-1184775
|
[
"Fe",
"Sn"
] |
[
26,
26,
50,
50,
50,
50,
50,
50
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3642210066318512,
0.1821105033159256,
0.75
],
[
0.8178895115852356,
0.1821105033159256,
0.75
],
[
0.8178895115852356,
0.6357790231704712,
0.75
],
[
0.6357790231704712,
0.8178895115852356,
0.25
],
[
0.1821105033159256,
0.8178895115852356,
0.25
],
[
0.1821105033159256,
0.3642210066318512,
0.25
]
] |
{
"a": 6.642422199249268,
"b": 6.642422199249268,
"c": 4.562942028045654,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
FeSn3
|
hard_negative
| false
| null | 0
| 0.476675
| 0.475312
| true
|
[
"metallic"
] | null |
mp-1184779
|
[
"Ho",
"Er"
] |
[
67,
67,
68,
68,
68,
68,
68,
68
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1664760559797287,
0.3329521119594574,
0.25
],
[
0.667047917842865,
0.8335239291191101,
0.25
],
[
0.1664760559797287,
0.8335239291191101,
0.25
],
[
0.8335239291191101,
0.667047917842865,
0.75
],
[
0.3329521119594574,
0.1664760559797287,
0.75
],
[
0.8335239291191101,
0.1664760559797287,
0.75
]
] |
{
"a": 7.184389114379883,
"b": 7.184389114379883,
"c": 5.525126934051514,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
HoEr3
|
hard_negative
| false
| null | 0
| 0.017596
| 0.011837
| true
|
[
"metallic"
] | null |
mp-1184788
|
[
"Ge",
"Rh"
] |
[
32,
32,
45,
45,
45,
45,
45,
45
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3332569897174835,
0.16662849485874176,
0.75
],
[
0.8333715200424194,
0.16662849485874176,
0.75
],
[
0.8333715200424194,
0.6667429804801941,
0.75
],
[
0.6667429804801941,
0.8333715200424194,
0.25
],
[
0.16662849485874176,
0.8333715200424194,
0.25
],
[
0.16662849485874176,
0.3332569897174835,
0.25
]
] |
{
"a": 5.516684055328369,
"b": 5.516684055328369,
"c": 4.359766006469727,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
GeRh3
|
hard_negative
| false
| null | 0
| 0.118747
| -0.234139
| true
|
[
"metallic"
] | null |
mp-1184789
|
[
"In",
"Hg"
] |
[
49,
49,
80,
80,
80,
80,
80,
80
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.33183521032333374,
0.16591760516166687,
0.75
],
[
0.8340824246406555,
0.16591760516166687,
0.75
],
[
0.8340824246406555,
0.6681647896766663,
0.75
],
[
0.6681647896766663,
0.8340824246406555,
0.25
],
[
0.16591760516166687,
0.8340824246406555,
0.25
],
[
0.16591760516166687,
0.33183521032333374,
0.25
]
] |
{
"a": 6.777646541595459,
"b": 6.777646541595459,
"c": 5.193288326263428,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
InHg3
|
hard_negative
| false
| null | 0
| 0.022958
| 0.01776
| true
|
[
"metallic"
] | null |
mp-1184791
|
[
"Rh",
"In"
] |
[
49,
49,
45,
45,
45,
45,
45,
45
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16279150545597076,
0.32558301091194153,
0.25
],
[
0.16279150545597076,
0.8372085094451904,
0.25
],
[
0.6744169592857361,
0.8372085094451904,
0.25
],
[
0.8372085094451904,
0.6744169592857361,
0.75
],
[
0.8372085094451904,
0.16279150545597076,
0.75
],
[
0.32558301091194153,
0.16279150545597076,
0.75
]
] |
{
"a": 5.577951431274414,
"b": 5.577951431274414,
"c": 4.507045745849609,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
InRh3
|
hard_negative
| false
| null | 0
| 0.057373
| -0.192429
| true
|
[
"metallic"
] | null |
mp-1184792
|
[
"K",
"Ac"
] |
[
19,
19,
19,
19,
19,
19,
89,
89
] | 8
| 2
|
[
[
0.336681991815567,
0.1683409959077835,
0.75
],
[
0.8316590189933777,
0.1683409959077835,
0.75
],
[
0.8316590189933777,
0.6633179783821106,
0.75
],
[
0.6633179783821106,
0.8316590189933777,
0.25
],
[
0.1683409959077835,
0.8316590189933777,
0.25
],
[
0.1683409959077835,
0.336681991815567,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 8.869976043701172,
"b": 8.869976043701172,
"c": 7.327737808227539,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
K3Ac
|
hard_negative
| false
| null | 0
| 0.435412
| 0.435412
| true
|
[
"metallic"
] | null |
mp-1184795
|
[
"Ho",
"Np"
] |
[
67,
67,
67,
67,
67,
67,
93,
93
] | 8
| 2
|
[
[
0.16874800622463226,
0.3374960124492645,
0.25
],
[
0.16874800622463226,
0.8312519788742065,
0.25
],
[
0.8312519788742065,
0.16874800622463226,
0.75
],
[
0.6625040173530579,
0.8312519788742065,
0.25
],
[
0.8312519788742065,
0.6625040173530579,
0.75
],
[
0.3374960124492645,
0.16874800622463226,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 7.0160136222839355,
"b": 7.0160136222839355,
"c": 5.626136779785156,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
Ho3Np
|
hard_negative
| false
| null | 0
| 0.353159
| 0.353159
| true
|
[
"metallic"
] | null |
mp-1184811
|
[
"Ga",
"In"
] |
[
49,
49,
31,
31,
31,
31,
31,
31
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3201630115509033,
0.16008150577545166,
0.75
],
[
0.8399184942245483,
0.16008150577545166,
0.75
],
[
0.8399184942245483,
0.6798369884490967,
0.75
],
[
0.6798369884490967,
0.8399184942245483,
0.25
],
[
0.16008150577545166,
0.8399184942245483,
0.25
],
[
0.16008150577545166,
0.3201630115509033,
0.25
]
] |
{
"a": 6.174030303955078,
"b": 6.174030303955078,
"c": 5.205941200256348,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
InGa3
|
hard_negative
| false
| null | 0
| 0.065663
| 0.065663
| true
|
[
"metallic"
] | null |
mp-1184812
|
[
"In",
"Sn"
] |
[
49,
49,
50,
50,
50,
50,
50,
50
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.33025968074798584,
0.16512984037399292,
0.75
],
[
0.8348701596260071,
0.16512984037399292,
0.75
],
[
0.8348701596260071,
0.6697403192520142,
0.75
],
[
0.6697403192520142,
0.8348701596260071,
0.25
],
[
0.16512984037399292,
0.8348701596260071,
0.25
],
[
0.16512984037399292,
0.33025968074798584,
0.25
]
] |
{
"a": 6.625053405761719,
"b": 6.625053405761719,
"c": 5.6674370765686035,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
InSn3
|
hard_negative
| false
| null | 0
| 0.177441
| 0.177441
| true
|
[
"metallic"
] | null |
mp-1184841
|
[
"O",
"Ho"
] |
[
67,
67,
8,
8,
8,
8,
8,
8
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3608050048351288,
0.1804025024175644,
0.75
],
[
0.8195974826812744,
0.1804025024175644,
0.75
],
[
0.8195974826812744,
0.6391950249671936,
0.75
],
[
0.6391950249671936,
0.8195974826812744,
0.25
],
[
0.1804025024175644,
0.8195974826812744,
0.25
],
[
0.1804025024175644,
0.3608050048351288,
0.25
]
] |
{
"a": 4.646369934082031,
"b": 4.646369934082031,
"c": 4.644211769104004,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
HoO3
|
hard_negative
| false
| null | 0
| 0.520405
| -1.99682
| true
|
[
"oxide",
"metallic"
] | null |
mp-1184858
|
[
"Cu",
"In"
] |
[
49,
49,
29,
29,
29,
29,
29,
29
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.15638595819473267,
0.31277191638946533,
0.25
],
[
0.15638595819473267,
0.8436140418052673,
0.25
],
[
0.6872280836105347,
0.8436140418052673,
0.25
],
[
0.8436140418052673,
0.6872280836105347,
0.75
],
[
0.8436140418052673,
0.15638595819473267,
0.75
],
[
0.31277191638946533,
0.15638595819473267,
0.75
]
] |
{
"a": 5.441144943237305,
"b": 5.441144943237305,
"c": 4.321300983428955,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
InCu3
|
hard_negative
| false
| null | 0
| 0.027531
| 0.000925
| true
|
[
"metallic"
] | null |
mp-1184888
|
[
"Mg",
"Ho"
] |
[
67,
67,
12,
12,
12,
12,
12,
12
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.32713383436203003,
0.16356691718101501,
0.75
],
[
0.8364331126213074,
0.67286616563797,
0.75
],
[
0.8364331126213074,
0.16356691718101501,
0.75
],
[
0.16356691718101501,
0.8364331126213074,
0.25
],
[
0.16356691718101501,
0.32713383436203003,
0.25
],
[
0.67286616563797,
0.8364331126213074,
0.25
]
] |
{
"a": 6.63283109664917,
"b": 6.63283109664917,
"c": 5.158198833465576,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
HoMg3
|
hard_negative
| false
| null | 0
| 0.011063
| -0.027621
| true
|
[
"metallic"
] | null |
mp-1184899
|
[
"Ho",
"Tm"
] |
[
67,
67,
69,
69,
69,
69,
69,
69
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16613708436489105,
0.3322741687297821,
0.25
],
[
0.6677258014678955,
0.8338629007339478,
0.25
],
[
0.16613708436489105,
0.8338629007339478,
0.25
],
[
0.8338629007339478,
0.6677258014678955,
0.75
],
[
0.3322741687297821,
0.16613708436489105,
0.75
],
[
0.8338629007339478,
0.16613708436489105,
0.75
]
] |
{
"a": 7.078309059143066,
"b": 7.078309059143066,
"c": 5.688880920410156,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
HoTm3
|
hard_negative
| false
| null | 0
| 0
| -0.019567
| true
|
[
"metallic"
] | null |
mp-1184902
|
[
"K",
"Dy"
] |
[
19,
19,
19,
19,
19,
19,
66,
66
] | 8
| 2
|
[
[
0.3425529897212982,
0.1712764948606491,
0.75
],
[
0.8287234902381897,
0.1712764948606491,
0.75
],
[
0.8287234902381897,
0.6574469804763794,
0.75
],
[
0.6574469804763794,
0.8287234902381897,
0.25
],
[
0.1712764948606491,
0.8287234902381897,
0.25
],
[
0.1712764948606491,
0.3425529897212982,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 8.608616828918457,
"b": 8.608616828918457,
"c": 7.079195022583008,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
K3Dy
|
hard_negative
| false
| null | 0
| 0.581856
| 0.581856
| true
|
[
"metallic"
] | null |
mp-1184906
|
[
"K",
"Er"
] |
[
19,
19,
19,
19,
19,
19,
68,
68
] | 8
| 2
|
[
[
0.3445979952812195,
0.17229899764060974,
0.75
],
[
0.8277009725570679,
0.17229899764060974,
0.75
],
[
0.8277009725570679,
0.6554020047187805,
0.75
],
[
0.6554020047187805,
0.8277009725570679,
0.25
],
[
0.17229899764060974,
0.8277009725570679,
0.25
],
[
0.17229899764060974,
0.3445979952812195,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 8.596190452575684,
"b": 8.596190452575684,
"c": 7.061734199523926,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
K3Er
|
hard_negative
| false
| null | 0
| 0.583714
| 0.583714
| true
|
[
"metallic"
] | null |
mp-1184912
|
[
"K",
"Ho"
] |
[
19,
19,
19,
19,
19,
19,
67,
67
] | 8
| 2
|
[
[
0.3447380065917969,
0.17236900329589844,
0.75
],
[
0.8276309967041016,
0.17236900329589844,
0.75
],
[
0.8276309967041016,
0.6552619934082031,
0.75
],
[
0.6552619934082031,
0.8276309967041016,
0.25
],
[
0.17236900329589844,
0.8276309967041016,
0.25
],
[
0.17236900329589844,
0.3447380065917969,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 8.594816207885742,
"b": 8.594816207885742,
"c": 7.041162967681885,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
K3Ho
|
hard_negative
| false
| null | 0
| 0.582249
| 0.582249
| true
|
[
"metallic"
] | null |
mp-1184915
|
[
"Ge",
"In"
] |
[
49,
49,
49,
49,
49,
49,
32,
32
] | 8
| 2
|
[
[
0.3427349925041199,
0.17136749625205994,
0.75
],
[
0.8286324739456177,
0.17136749625205994,
0.75
],
[
0.8286324739456177,
0.6572650074958801,
0.75
],
[
0.6572650074958801,
0.8286324739456177,
0.25
],
[
0.17136749625205994,
0.8286324739456177,
0.25
],
[
0.17136749625205994,
0.3427349925041199,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.669457912445068,
"b": 6.669457912445068,
"c": 5.298440933227539,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
In3Ge
|
hard_negative
| false
| null | 0
| 0.141304
| 0.141304
| true
|
[
"metallic"
] | null |
mp-1184919
|
[
"Na",
"K"
] |
[
19,
19,
19,
19,
19,
19,
11,
11
] | 8
| 2
|
[
[
0.1717451810836792,
0.3434903621673584,
0.25
],
[
0.1717451810836792,
0.8282548189163208,
0.25
],
[
0.6565096378326416,
0.8282548189163208,
0.25
],
[
0.8282548189163208,
0.6565096378326416,
0.75
],
[
0.8282548189163208,
0.1717451810836792,
0.75
],
[
0.3434903621673584,
0.1717451810836792,
0.75
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 9.161988258361816,
"b": 9.161988258361816,
"c": 7.214728832244873,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
K3Na
|
hard_negative
| false
| null | 0
| 0.027375
| 0.027375
| true
|
[
"metallic"
] | null |
mp-1184920
|
[
"Ho",
"Os"
] |
[
67,
67,
76,
76,
76,
76,
76,
76
] | 8
| 2
|
[
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.31725698709487915,
0.15862849354743958,
0.75
],
[
0.841371476650238,
0.15862849354743958,
0.75
],
[
0.841371476650238,
0.6827430129051208,
0.75
],
[
0.6827430129051208,
0.841371476650238,
0.25
],
[
0.15862849354743958,
0.841371476650238,
0.25
],
[
0.15862849354743958,
0.31725698709487915,
0.25
]
] |
{
"a": 5.819797515869141,
"b": 5.819797515869141,
"c": 4.624966144561768,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
HoOs3
|
hard_negative
| false
| null | 0
| 0.624712
| 0.316856
| true
|
[
"metallic"
] | null |
mp-1184930
|
[
"Ho",
"Lu"
] |
[
67,
67,
71,
71,
71,
71,
71,
71
] | 8
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16619960963726044,
0.3323992192745209,
0.25
],
[
0.6676008105278015,
0.8338003754615784,
0.25
],
[
0.16619960963726044,
0.8338003754615784,
0.25
],
[
0.8338003754615784,
0.6676008105278015,
0.75
],
[
0.3323992192745209,
0.16619960963726044,
0.75
],
[
0.8338003754615784,
0.16619960963726044,
0.75
]
] |
{
"a": 7.086954593658447,
"b": 7.086954593658447,
"c": 5.468137741088867,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
HoLu3
|
hard_negative
| false
| null | 0
| 0.001373
| 0.001373
| true
|
[
"metallic"
] | null |
mp-1184932
|
[
"In",
"Pb"
] |
[
49,
49,
49,
49,
49,
49,
82,
82
] | 8
| 2
|
[
[
0.3246086537837982,
0.1623043268918991,
0.75
],
[
0.8376956582069397,
0.1623043268918991,
0.75
],
[
0.8376956582069397,
0.6753913164138794,
0.75
],
[
0.6753913164138794,
0.8376956582069397,
0.25
],
[
0.1623043268918991,
0.8376956582069397,
0.25
],
[
0.1623043268918991,
0.3246086537837982,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.916336536407471,
"b": 6.916336536407471,
"c": 5.379181861877441,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
In3Pb
|
hard_negative
| false
| null | 0
| 0.035158
| 0.035158
| true
|
[
"metallic"
] | null |
mp-1184933
|
[
"In",
"Hg"
] |
[
49,
49,
49,
49,
49,
49,
80,
80
] | 8
| 2
|
[
[
0.3344600796699524,
0.1672300398349762,
0.75
],
[
0.8327699899673462,
0.1672300398349762,
0.75
],
[
0.8327699899673462,
0.6655399203300476,
0.75
],
[
0.6655399203300476,
0.8327699899673462,
0.25
],
[
0.1672300398349762,
0.8327699899673462,
0.25
],
[
0.1672300398349762,
0.3344600796699524,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.573108196258545,
"b": 6.573108196258545,
"c": 5.577757358551025,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
In3Hg
|
hard_negative
| false
| null | 0
| 0.033134
| 0.027936
| true
|
[
"metallic"
] | null |
mp-1184934
|
[
"Si",
"In"
] |
[
49,
49,
49,
49,
49,
49,
14,
14
] | 8
| 2
|
[
[
0.34256699681282043,
0.17128349840641022,
0.75
],
[
0.828716516494751,
0.17128349840641022,
0.75
],
[
0.828716516494751,
0.6574329733848572,
0.75
],
[
0.6574329733848572,
0.828716516494751,
0.25
],
[
0.17128349840641022,
0.828716516494751,
0.25
],
[
0.17128349840641022,
0.34256699681282043,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
]
] |
{
"a": 6.522056579589844,
"b": 6.522056579589844,
"c": 5.29063081741333,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
In3Si
|
hard_negative
| false
| null | 0
| 0.312131
| 0.312131
| true
|
[
"metallic"
] | null |
mp-1184996
|
[
"F",
"La"
] |
[
57,
57,
9,
9
] | 4
| 2
|
[
[
0.3333333432674408,
0.6666666865348816,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.75
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
]
] |
{
"a": 4.328808307647705,
"b": 4.328808307647705,
"c": 5.558106899261475,
"alpha": 90,
"beta": 90,
"gamma": 120
}
| 194
|
LaF
|
hard_negative
| false
| null | 0
| 0.344283
| -2.661229
| true
|
[
"halide",
"metallic"
] | null |
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