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-1185438
|
[
"Lu",
"Hg"
] |
[
71,
71,
71,
80
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.714643955230713,
"b": 4.714643955230713,
"c": 4.714643955230713,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Lu3Hg
|
hard_negative
| false
| null | 0
| 0.086391
| -0.187662
| true
|
[
"metallic"
] | null |
mp-1185440
|
[
"Cd",
"Lu"
] |
[
71,
71,
71,
48
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.760900974273682,
"b": 4.760900974273682,
"c": 4.760900974273682,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Lu3Cd
|
hard_negative
| false
| null | 0
| 0.07152
| -0.105818
| true
|
[
"metallic"
] | null |
mp-1185451
|
[
"Li",
"Sm"
] |
[
3,
62,
62,
62
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.960113048553467,
"b": 4.960113048553467,
"c": 4.960113048553467,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LiSm3
|
hard_negative
| true
| 1
| 0
| 0.163255
| 0.163255
| true
|
[
"li",
"metallic"
] | null |
mp-1185482
|
[
"Lu",
"Np"
] |
[
71,
71,
71,
93
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.832000732421875,
"b": 4.832000732421875,
"c": 4.832000732421875,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Lu3Np
|
hard_negative
| false
| null | 0
| 0.365051
| 0.365051
| true
|
[
"metallic"
] | null |
mp-1185492
|
[
"Mg",
"Lu"
] |
[
71,
12,
12,
12
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] |
{
"a": 4.588202953338623,
"b": 4.588202953338623,
"c": 4.588202953338623,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LuMg3
|
hard_negative
| false
| null | 0
| 0.012427
| -0.002872
| true
|
[
"metallic"
] | null |
mp-1185494
|
[
"Mn",
"Lu"
] |
[
71,
25,
25,
25
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.047275066375732,
"b": 4.047275066375732,
"c": 4.047275066375732,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LuMn3
|
hard_negative
| false
| null | 0
| 0.307647
| 0.267849
| true
|
[
"metallic"
] | null |
mp-1185497
|
[
"Ni",
"Lu"
] |
[
71,
28,
28,
28
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 3.790144920349121,
"b": 3.790144920349121,
"c": 3.790144920349121,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LuNi3
|
hard_negative
| false
| null | 0
| 0.081897
| -0.326755
| true
|
[
"metallic"
] | null |
mp-1185535
|
[
"O",
"Cs"
] |
[
55,
55,
8,
8,
8
] | 5
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] |
{
"a": 4.6419878005981445,
"b": 4.6419878005981445,
"c": 4.6419878005981445,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Cs2O3
|
hard_negative
| false
| null | 0
| 0.700906
| -0.395093
| true
|
[
"oxide",
"metallic"
] | null |
mp-1185539
|
[
"Ce",
"Gd"
] |
[
58,
64,
64,
64
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.029572010040283,
"b": 5.029572010040283,
"c": 5.029572010040283,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
CeGd3
|
hard_negative
| false
| null | 0
| 0.078652
| 0.078652
| true
|
[
"metallic"
] | null |
mp-1185543
|
[
"K",
"Cs"
] |
[
55,
19,
19,
19
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 7.034294128417969,
"b": 7.034294128417969,
"c": 7.034294128417969,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
CsK3
|
hard_negative
| false
| null | 0
| 0.018393
| 0.018393
| true
|
[
"metallic"
] | null |
mp-1185553
|
[
"Cs",
"Hg"
] |
[
55,
55,
55,
80
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 6.783536911010742,
"b": 6.783536911010742,
"c": 6.783536911010742,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Cs3Hg
|
hard_negative
| false
| null | 0
| 0.110631
| 0.007195
| true
|
[
"metallic"
] | null |
mp-1185566
|
[
"Cs",
"Ac"
] |
[
55,
55,
55,
89
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 6.9634318351745605,
"b": 6.9634318351745605,
"c": 6.9634318351745605,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Cs3Ac
|
hard_negative
| false
| null | 0
| 0.52681
| 0.52681
| true
|
[
"metallic"
] | null |
mp-1185604
|
[
"La",
"Ce"
] |
[
57,
58,
58,
58
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.782626152038574,
"b": 4.782626152038574,
"c": 4.782626152038574,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LaCe3
|
hard_negative
| false
| null | 0
| 0.097846
| 0.097846
| true
|
[
"metallic"
] | null |
mp-1185666
|
[
"Na",
"Cu"
] |
[
11,
29,
29,
29
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 3.8258919715881348,
"b": 3.8258919715881348,
"c": 3.8258919715881348,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NaCu3
|
hard_negative
| false
| null | 0
| 0.326066
| 0.326066
| true
|
[
"metallic"
] | null |
mp-1185786
|
[
"Mg",
"Tl"
] |
[
12,
12,
12,
81
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.4731125831604,
"b": 4.4731125831604,
"c": 4.4731125831604,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Mg3Tl
|
hard_negative
| false
| null | 0
| 0.017983
| 0.004002
| true
|
[
"metallic"
] | null |
mp-1185790
|
[
"Mg",
"Sc"
] |
[
12,
12,
12,
21
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.513143539428711,
"b": 4.513143539428711,
"c": 4.513143539428711,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Mg3Sc
|
hard_negative
| false
| null | 0
| 0
| -0.016502
| true
|
[
"metallic"
] | null |
mp-1185846
|
[
"Mg",
"Au"
] |
[
12,
79,
79,
79
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] |
{
"a": 4.106527328491211,
"b": 4.106527328491211,
"c": 4.106527328491211,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
MgAu3
|
hard_negative
| false
| null | 0
| 0.01665
| -0.383666
| true
|
[
"metallic"
] | null |
mp-1185851
|
[
"C",
"Mg"
] |
[
12,
6
] | 2
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 2.803968906402588,
"b": 2.803968906402588,
"c": 2.803968906402588,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
MgC
|
hard_negative
| false
| null | 0
| 1.236196
| 1.236196
| true
|
[
"metallic"
] | null |
mp-1185880
|
[
"Mg",
"Hg"
] |
[
12,
80,
80,
80
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] |
{
"a": 4.475347518920898,
"b": 4.475347518920898,
"c": 4.475347518920898,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
MgHg3
|
hard_negative
| false
| null | 0
| 0.0442
| -0.054414
| true
|
[
"metallic"
] | null |
mp-1185899
|
[
"Mg",
"Nb"
] |
[
12,
41,
41,
41
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] |
{
"a": 4.201919078826904,
"b": 4.201919078826904,
"c": 4.201919078826904,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
MgNb3
|
hard_negative
| false
| null | 0
| 0.264393
| 0.264393
| true
|
[
"metallic"
] | null |
mp-1185925
|
[
"Mn",
"I"
] |
[
25,
25,
25,
53
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 3.9171769618988037,
"b": 3.9171769618988037,
"c": 3.9171769618988037,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Mn3I
|
hard_negative
| false
| null | 0
| 0.977055
| 0.712162
| true
|
[
"halide",
"metallic"
] | null |
mp-1185929
|
[
"Mg",
"Np"
] |
[
12,
93,
93,
93
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] |
{
"a": 4.586795806884766,
"b": 4.586795806884766,
"c": 4.586795806884766,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
MgNp3
|
hard_negative
| false
| null | 0
| 0.685778
| 0.685778
| true
|
[
"metallic"
] | null |
mp-1185971
|
[
"Mg",
"Ti"
] |
[
12,
22,
22,
22
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] |
{
"a": 4.159066200256348,
"b": 4.159066200256348,
"c": 4.159066200256348,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
MgTi3
|
hard_negative
| false
| null | 0.0108
| 0.162608
| 0.162608
| false
| null | null |
mp-1185989
|
[
"Mn",
"Bi"
] |
[
25,
83,
83,
83
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.851888179779053,
"b": 4.851888179779053,
"c": 4.851888179779053,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
MnBi3
|
hard_negative
| false
| null | 0
| 0.395178
| 0.395178
| true
|
[
"metallic"
] | null |
mp-1185991
|
[
"Mn",
"Cd"
] |
[
25,
48,
48,
48
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.297046184539795,
"b": 4.297046184539795,
"c": 4.297046184539795,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
MnCd3
|
hard_negative
| false
| null | 0
| 0.172471
| 0.172471
| true
|
[
"metallic"
] | null |
mp-1185994
|
[
"Mn",
"Hg"
] |
[
25,
80,
80,
80
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.417850017547607,
"b": 4.417850017547607,
"c": 4.417850017547607,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
MnHg3
|
hard_negative
| false
| null | 0
| 0.294415
| 0.294415
| true
|
[
"metallic"
] | null |
mp-1186007
|
[
"Na",
"Ti"
] |
[
11,
11,
11,
22
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.90453577041626,
"b": 4.90453577041626,
"c": 4.90453577041626,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Na3Ti
|
hard_negative
| false
| null | 0
| 0.817536
| 0.817536
| true
|
[
"metallic"
] | null |
mp-1186014
|
[
"Mo",
"Pd"
] |
[
42,
42,
42,
46
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] |
{
"a": 3.969295024871826,
"b": 3.969295024871826,
"c": 3.969295024871826,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Mo3Pd
|
hard_negative
| false
| null | 0
| 0.148067
| 0.1188
| true
|
[
"metallic"
] | null |
mp-1186016
|
[
"Mo",
"Pt"
] |
[
42,
42,
42,
78
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 3.9739840030670166,
"b": 3.9739840030670166,
"c": 3.9739840030670166,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Mo3Pt
|
hard_negative
| false
| null | 0
| 0.073926
| -0.105124
| true
|
[
"metallic"
] | null |
mp-1186019
|
[
"Mo",
"Pb"
] |
[
42,
82,
82,
82
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.7761430740356445,
"b": 4.7761430740356445,
"c": 4.7761430740356445,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
MoPb3
|
hard_negative
| false
| null | 0
| 0.739506
| 0.739506
| true
|
[
"metallic"
] | null |
mp-1186028
|
[
"Na",
"Ga"
] |
[
11,
11,
11,
31
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.831934928894043,
"b": 4.831934928894043,
"c": 4.831934928894043,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Na3Ga
|
hard_negative
| false
| null | 0
| 0.115298
| 0.050213
| true
|
[
"metallic"
] | null |
mp-1186032
|
[
"Na",
"Ca"
] |
[
11,
11,
11,
20
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.354626178741455,
"b": 5.354626178741455,
"c": 5.354626178741455,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Na3Ca
|
hard_negative
| false
| null | 0
| 0.088699
| 0.088699
| true
|
[
"metallic"
] | null |
mp-1186037
|
[
"Na",
"Fe"
] |
[
11,
11,
11,
26
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.789878845214844,
"b": 4.789878845214844,
"c": 4.789878845214844,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Na3Fe
|
hard_negative
| false
| null | 0
| 0.700918
| 0.700918
| true
|
[
"metallic"
] | null |
mp-1186043
|
[
"Na",
"Hf"
] |
[
11,
11,
11,
72
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.865170955657959,
"b": 4.865170955657959,
"c": 4.865170955657959,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Na3Hf
|
hard_negative
| false
| null | 0
| 0.882459
| 0.882459
| true
|
[
"metallic"
] | null |
mp-1186046
|
[
"Na",
"Mg"
] |
[
11,
11,
11,
12
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 5.058277130126953,
"b": 5.058277130126953,
"c": 5.058277130126953,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Na3Mg
|
hard_negative
| false
| null | 0
| 0.101282
| 0.101282
| true
|
[
"metallic"
] | null |
mp-1186068
|
[
"Na",
"Sc"
] |
[
11,
11,
11,
21
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.035892963409424,
"b": 5.035892963409424,
"c": 5.035892963409424,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Na3Sc
|
hard_negative
| false
| null | 0
| 0.426778
| 0.426778
| true
|
[
"metallic"
] | null |
mp-1186077
|
[
"Na",
"Ce"
] |
[
11,
11,
11,
58
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.26988410949707,
"b": 5.26988410949707,
"c": 5.26988410949707,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Na3Ce
|
hard_negative
| false
| null | 0
| 0.440852
| 0.440852
| true
|
[
"metallic"
] | null |
mp-1186084
|
[
"Na",
"Yb"
] |
[
11,
11,
11,
70
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.140346527099609,
"b": 5.140346527099609,
"c": 5.140346527099609,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Na3Yb
|
hard_negative
| false
| null | 0
| 0.420289
| 0.420289
| true
|
[
"metallic"
] | null |
mp-1186092
|
[
"Na",
"Zr"
] |
[
11,
11,
11,
40
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.879238128662109,
"b": 4.879238128662109,
"c": 4.879238128662109,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Na3Zr
|
hard_negative
| false
| null | 0
| 0.825592
| 0.825592
| true
|
[
"metallic"
] | null |
mp-1186094
|
[
"Na",
"Zn"
] |
[
11,
11,
11,
30
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.861701011657715,
"b": 4.861701011657715,
"c": 4.861701011657715,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Na3Zn
|
hard_negative
| false
| null | 0
| 0.091906
| 0.070101
| true
|
[
"metallic"
] | null |
mp-1186098
|
[
"Na",
"Al"
] |
[
11,
13,
13,
13
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.219655990600586,
"b": 4.219655990600586,
"c": 4.219655990600586,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NaAl3
|
hard_negative
| false
| null | 0
| 0.166475
| 0.166475
| true
|
[
"metallic"
] | null |
mp-1186100
|
[
"Na",
"Ag"
] |
[
11,
47,
47,
47
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.244194030761719,
"b": 4.244194030761719,
"c": 4.244194030761719,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NaAg3
|
hard_negative
| false
| null | 0
| 0.079108
| 0.020171
| true
|
[
"metallic"
] | null |
mp-1186103
|
[
"Na",
"Ac"
] |
[
11,
89,
89,
89
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.579067230224609,
"b": 5.579067230224609,
"c": 5.579067230224609,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NaAc3
|
hard_negative
| false
| null | 0
| 0.204555
| 0.204555
| true
|
[
"metallic"
] | null |
mp-1186117
|
[
"Ni",
"Pt"
] |
[
28,
78,
78,
78
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 3.855036497116089,
"b": 3.855036497116089,
"c": 3.855036497116089,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NiPt3
|
hard_negative
| false
| null | 0
| 0
| -0.063426
| true
|
[
"metallic"
] | null |
mp-1186120
|
[
"Co",
"Np"
] |
[
93,
27,
27,
27
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 3.7600526809692383,
"b": 3.7600526809692383,
"c": 3.7600526809692383,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NpCo3
|
hard_negative
| false
| null | 0
| 0.06966
| 0.009977
| true
|
[
"metallic"
] | null |
mp-1186136
|
[
"Na",
"Ga"
] |
[
11,
31,
31,
31
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.27534294128418,
"b": 4.27534294128418,
"c": 4.27534294128418,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NaGa3
|
hard_negative
| false
| null | 0
| 0.135023
| -0.013896
| true
|
[
"metallic"
] | null |
mp-1186137
|
[
"Na",
"Hg"
] |
[
11,
80,
80,
80
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.640628814697266,
"b": 4.640628814697266,
"c": 4.640628814697266,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NaHg3
|
hard_negative
| false
| null | 0
| 0.018782
| -0.19396
| true
|
[
"metallic"
] | null |
mp-1186164
|
[
"Na",
"Ce"
] |
[
11,
58,
58,
58
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.942164897918701,
"b": 4.942164897918701,
"c": 4.942164897918701,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NaCe3
|
hard_negative
| false
| null | 0
| 0.428676
| 0.428676
| true
|
[
"metallic"
] | null |
mp-1186169
|
[
"Na",
"Pr"
] |
[
11,
59,
59,
59
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.205635070800781,
"b": 5.205635070800781,
"c": 5.205635070800781,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NaPr3
|
hard_negative
| false
| null | 0
| 0.233235
| 0.233235
| true
|
[
"metallic"
] | null |
mp-1186173
|
[
"Na",
"Pm"
] |
[
11,
61,
61,
61
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 5.146349906921387,
"b": 5.146349906921387,
"c": 5.146349906921387,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NaPm3
|
hard_negative
| false
| null | 0
| 0.262074
| 0.262074
| true
|
[
"metallic"
] | null |
mp-1186225
|
[
"Nb",
"Os"
] |
[
41,
76,
76,
76
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 3.921053409576416,
"b": 3.921053409576416,
"c": 3.921053409576416,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NbOs3
|
hard_negative
| false
| null | 0
| 0.039354
| -0.076468
| true
|
[
"metallic"
] | null |
mp-1186243
|
[
"Nd",
"Pm"
] |
[
61,
60,
60,
60
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.199512004852295,
"b": 5.199512004852295,
"c": 5.199512004852295,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PmNd3
|
hard_negative
| false
| null | 0
| 0.023986
| 0.023986
| true
|
[
"metallic"
] | null |
mp-1186259
|
[
"Br",
"Nd"
] |
[
60,
60,
60,
35
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.977027893066406,
"b": 4.977027893066406,
"c": 4.977027893066406,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Nd3Br
|
hard_negative
| false
| null | 0
| 0.513192
| -0.256991
| true
|
[
"halide",
"metallic"
] | null |
mp-1186262
|
[
"Nd",
"Dy"
] |
[
60,
60,
60,
66
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.162346839904785,
"b": 5.162346839904785,
"c": 5.162346839904785,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Nd3Dy
|
hard_negative
| false
| null | 0
| 0.031259
| 0.031259
| true
|
[
"metallic"
] | null |
mp-1186269
|
[
"Nd",
"Hf"
] |
[
60,
60,
60,
72
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.000528812408447,
"b": 5.000528812408447,
"c": 5.000528812408447,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Nd3Hf
|
hard_negative
| false
| null | 0
| 0.198156
| 0.198156
| true
|
[
"metallic"
] | null |
mp-1186274
|
[
"Mg",
"Nd"
] |
[
60,
60,
60,
12
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 5.052699565887451,
"b": 5.052699565887451,
"c": 5.052699565887451,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Nd3Mg
|
hard_negative
| false
| null | 0
| 0.056144
| 0.009251
| true
|
[
"metallic"
] | null |
mp-1186275
|
[
"Nd",
"Lu"
] |
[
60,
60,
60,
71
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.126631259918213,
"b": 5.126631259918213,
"c": 5.126631259918213,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Nd3Lu
|
hard_negative
| false
| null | 0
| 0.029126
| 0.028265
| true
|
[
"metallic"
] | null |
mp-1186278
|
[
"Nd",
"Eu"
] |
[
60,
60,
60,
63
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.266608715057373,
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"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Nd3Eu
|
hard_negative
| false
| null | 0
| 0.082332
| 0.082332
| true
|
[
"metallic"
] | null |
mp-1186282
|
[
"Ti",
"Nd"
] |
[
60,
60,
60,
22
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.931575775146484,
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"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Nd3Ti
|
hard_negative
| false
| null | 0
| 0.253193
| 0.253193
| true
|
[
"metallic"
] | null |
mp-1186300
|
[
"Nd",
"Er"
] |
[
60,
68,
68,
68
] | 4
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0.5,
0
],
[
0,
0,
0.5
]
] |
{
"a": 5.027703762054443,
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"c": 5.027703762054443,
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"gamma": 90
}
| 221
|
NdEr3
|
hard_negative
| false
| null | 0
| 0.057211
| 0.057211
| true
|
[
"metallic"
] | null |
mp-1186323
|
[
"Nd",
"Sm"
] |
[
60,
62,
62,
62
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
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[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.151553153991699,
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"c": 5.151553153991699,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NdSm3
|
hard_negative
| false
| null | 0
| 0.027673
| 0.027673
| true
|
[
"metallic"
] | null |
mp-1186341
|
[
"Ni",
"Ge"
] |
[
28,
32,
32,
32
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
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[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.027851104736328,
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"c": 4.027851104736328,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NiGe3
|
hard_negative
| false
| null | 0
| 0.424469
| 0.291593
| true
|
[
"metallic"
] | null |
mp-1186348
|
[
"Nd",
"Gd"
] |
[
60,
64,
64,
64
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
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[
0.5,
0,
0.5
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[
0.5,
0.5,
0
]
] |
{
"a": 5.203568935394287,
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"c": 5.203568935394287,
"alpha": 90,
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"gamma": 90
}
| 221
|
NdGd3
|
hard_negative
| false
| null | 0
| 0.093297
| 0.093297
| true
|
[
"metallic"
] | null |
mp-1186363
|
[
"Ti",
"Np"
] |
[
93,
22,
22,
22
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
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[
0.5,
0,
0.5
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[
0.5,
0.5,
0
]
] |
{
"a": 4.178689002990723,
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"c": 4.178689002990723,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NpTi3
|
hard_negative
| false
| null | 0
| 0.230664
| 0.230664
| true
|
[
"metallic"
] | null |
mp-1186380
|
[
"Cd",
"Pa"
] |
[
91,
91,
91,
48
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
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[
0,
0.5,
0.5
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[
0,
0,
0
]
] |
{
"a": 4.62533712387085,
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"c": 4.62533712387085,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pa3Cd
|
hard_negative
| false
| null | 0
| 0.19758
| 0.19758
| true
|
[
"metallic"
] | null |
mp-1186381
|
[
"Al",
"Pa"
] |
[
91,
91,
91,
13
] | 4
| 2
|
[
[
0,
0.5,
0.5
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[
0.5,
0,
0.5
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[
0.5,
0.5,
0
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[
0,
0,
0
]
] |
{
"a": 4.5165534019470215,
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"c": 4.5165534019470215,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pa3Al
|
hard_negative
| false
| null | 0
| 0.011262
| -0.126663
| true
|
[
"metallic"
] | null |
mp-1186385
|
[
"Hg",
"Pa"
] |
[
91,
91,
91,
80
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
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[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.6287431716918945,
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"c": 4.6287431716918945,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pa3Hg
|
hard_negative
| false
| null | 0
| 0.15186
| 0.15186
| true
|
[
"metallic"
] | null |
mp-1186421
|
[
"O",
"Pb"
] |
[
82,
82,
82,
8
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
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[
0.5,
0.5,
0
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[
0,
0,
0
]
] |
{
"a": 4.671716213226318,
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"c": 4.671716213226318,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pb3O
|
hard_negative
| false
| null | 0
| 0.735231
| 0.000245
| true
|
[
"oxide",
"metallic"
] | null |
mp-1186425
|
[
"S",
"Pb"
] |
[
82,
82,
82,
16
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.840208053588867,
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"c": 4.840208053588867,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pb3S
|
hard_negative
| false
| null | 0
| 0.328426
| -0.063599
| true
|
[
"sulfide",
"metallic"
] | null |
mp-1186489
|
[
"Al",
"Pm"
] |
[
61,
61,
61,
13
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.8566999435424805,
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"c": 4.8566999435424805,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pm3Al
|
hard_negative
| false
| null | 0
| 0.032201
| -0.20646
| true
|
[
"metallic"
] | null |
mp-1186490
|
[
"Pm",
"Dy"
] |
[
61,
61,
61,
66
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.13106632232666,
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"c": 5.13106632232666,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pm3Dy
|
hard_negative
| false
| null | 0
| 0.033131
| 0.033131
| true
|
[
"metallic"
] | null |
mp-1186495
|
[
"Pm",
"Er"
] |
[
61,
61,
61,
68
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
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[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.116452693939209,
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"c": 5.116452693939209,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pm3Er
|
hard_negative
| false
| null | 0
| 0.036872
| 0.036872
| true
|
[
"metallic"
] | null |
mp-1186501
|
[
"Ga",
"Pm"
] |
[
61,
61,
61,
31
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.804251670837402,
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"c": 4.804251670837402,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pm3Ga
|
hard_negative
| false
| null | 0
| 0
| -0.299451
| true
|
[
"metallic"
] | null |
mp-1186505
|
[
"Pm",
"Hf"
] |
[
61,
61,
61,
72
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.9726362228393555,
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"c": 4.9726362228393555,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pm3Hf
|
hard_negative
| false
| null | 0
| 0.183761
| 0.183761
| true
|
[
"metallic"
] | null |
mp-1186522
|
[
"Pm",
"Gd"
] |
[
61,
61,
61,
64
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.1459479331970215,
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"c": 5.1459479331970215,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pm3Gd
|
hard_negative
| false
| null | 0
| 0.043856
| 0.043856
| true
|
[
"metallic"
] | null |
mp-1186530
|
[
"Pm",
"Sm"
] |
[
61,
61,
61,
62
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.157676696777344,
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"c": 5.157676696777344,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pm3Sm
|
hard_negative
| false
| null | 0
| 0.027195
| 0.027195
| true
|
[
"metallic"
] | null |
mp-1186532
|
[
"Ti",
"Pm"
] |
[
61,
61,
61,
22
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.898838043212891,
"b": 4.898838043212891,
"c": 4.898838043212891,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pm3Ti
|
hard_negative
| false
| null | 0
| 0.240046
| 0.240046
| true
|
[
"metallic"
] | null |
mp-1186534
|
[
"As",
"Pm"
] |
[
61,
33,
33,
33
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.405791759490967,
"b": 4.405791759490967,
"c": 4.405791759490967,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PmAs3
|
hard_negative
| false
| null | 0
| 0
| -0.569784
| true
|
[
"metallic"
] | null |
mp-1186551
|
[
"Pm",
"Er"
] |
[
61,
68,
68,
68
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.0118021965026855,
"b": 5.0118021965026855,
"c": 5.0118021965026855,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PmEr3
|
hard_negative
| false
| null | 0
| 0.056401
| 0.056401
| true
|
[
"metallic"
] | null |
mp-1186552
|
[
"Pm",
"Dy"
] |
[
61,
66,
66,
66
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] |
{
"a": 5.053637504577637,
"b": 5.053637504577637,
"c": 5.053637504577637,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PmDy3
|
hard_negative
| false
| null | 0
| 0.038127
| 0.038127
| true
|
[
"metallic"
] | null |
mp-1186587
|
[
"Pm",
"Ho"
] |
[
61,
67,
67,
67
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] |
{
"a": 5.033327102661133,
"b": 5.033327102661133,
"c": 5.033327102661133,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PmHo3
|
hard_negative
| false
| null | 0
| 0.043815
| 0.043815
| true
|
[
"metallic"
] | null |
mp-1186601
|
[
"Pm",
"Gd"
] |
[
61,
64,
64,
64
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] |
{
"a": 5.195800304412842,
"b": 5.195800304412842,
"c": 5.195800304412842,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PmGd3
|
hard_negative
| false
| null | 0
| 0.089803
| 0.089803
| true
|
[
"metallic"
] | null |
mp-1186640
|
[
"Pm",
"Sm"
] |
[
61,
62,
62,
62
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 5.140312194824219,
"b": 5.140312194824219,
"c": 5.140312194824219,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PmSm3
|
hard_negative
| false
| null | 0
| 0.028283
| 0.028283
| true
|
[
"metallic"
] | null |
mp-1186656
|
[
"Pm",
"Tm"
] |
[
61,
69,
69,
69
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.995004177093506,
"b": 4.995004177093506,
"c": 4.995004177093506,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PmTm3
|
hard_negative
| false
| null | 0
| 0.056164
| 0.050927
| true
|
[
"metallic"
] | null |
mp-1186658
|
[
"Pm",
"Th"
] |
[
61,
90,
90,
90
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.072896480560303,
"b": 5.072896480560303,
"c": 5.072896480560303,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PmTh3
|
hard_negative
| false
| null | 0
| 0.060723
| 0.060723
| true
|
[
"metallic"
] | null |
mp-1186670
|
[
"As",
"Pu"
] |
[
94,
33,
33,
33
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.31099796295166,
"b": 4.31099796295166,
"c": 4.31099796295166,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PuAs3
|
hard_negative
| false
| null | 0
| 0.11891
| -0.611848
| true
|
[
"metallic"
] | null |
mp-1186696
|
[
"Br",
"Pr"
] |
[
59,
59,
59,
35
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.013213157653809,
"b": 5.013213157653809,
"c": 5.013213157653809,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pr3Br
|
hard_negative
| false
| null | 0
| 0.510777
| -0.268484
| true
|
[
"halide",
"metallic"
] | null |
mp-1186705
|
[
"Pr",
"Dy"
] |
[
59,
59,
59,
66
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.196830749511719,
"b": 5.196830749511719,
"c": 5.196830749511719,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pr3Dy
|
hard_negative
| false
| null | 0
| 0.039464
| 0.039464
| true
|
[
"metallic"
] | null |
mp-1186709
|
[
"Mn",
"Ge"
] |
[
25,
32,
32,
32
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 3.990931987762451,
"b": 3.990931987762451,
"c": 3.990931987762451,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
MnGe3
|
hard_negative
| false
| null | 0
| 0.389734
| 0.328354
| true
|
[
"metallic"
] | null |
mp-1186727
|
[
"Pr",
"Sm"
] |
[
59,
59,
59,
62
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.232379913330078,
"b": 5.232379913330078,
"c": 5.232379913330078,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pr3Sm
|
hard_negative
| false
| null | 0
| 0.034759
| 0.034759
| true
|
[
"metallic"
] | null |
mp-1186733
|
[
"Ti",
"Pr"
] |
[
59,
59,
59,
22
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.969900131225586,
"b": 4.969900131225586,
"c": 4.969900131225586,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pr3Ti
|
hard_negative
| false
| null | 0
| 0.266994
| 0.266994
| true
|
[
"metallic"
] | null |
mp-1186734
|
[
"Y",
"Pr"
] |
[
59,
59,
59,
39
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.218465328216553,
"b": 5.218465328216553,
"c": 5.218465328216553,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pr3Y
|
hard_negative
| false
| null | 0
| 0.045269
| 0.045269
| true
|
[
"metallic"
] | null |
mp-1186738
|
[
"Pr",
"Np"
] |
[
59,
59,
59,
93
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.142927169799805,
"b": 5.142927169799805,
"c": 5.142927169799805,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pr3Np
|
hard_negative
| false
| null | 0
| 0.387975
| 0.387975
| true
|
[
"metallic"
] | null |
mp-1186760
|
[
"Sr",
"Sn"
] |
[
38,
50,
50,
50
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.8451642990112305,
"b": 4.8451642990112305,
"c": 4.8451642990112305,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
SrSn3
|
hard_negative
| false
| null | 0
| 0.056591
| -0.354604
| true
|
[
"metallic"
] | null |
mp-1186773
|
[
"Sr",
"Sm"
] |
[
38,
62,
62,
62
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.272202014923096,
"b": 5.272202014923096,
"c": 5.272202014923096,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
SrSm3
|
hard_negative
| false
| null | 0
| 0.168076
| 0.168076
| true
|
[
"metallic"
] | null |
mp-1186774
|
[
"Sr",
"Yb"
] |
[
38,
70,
70,
70
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.1686577796936035,
"b": 5.1686577796936035,
"c": 5.1686577796936035,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
SrYb3
|
hard_negative
| false
| null | 0
| 0.282763
| 0.282763
| true
|
[
"metallic"
] | null |
mp-1186796
|
[
"Ta",
"Pu"
] |
[
94,
94,
94,
73
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.199416160583496,
"b": 4.199416160583496,
"c": 4.199416160583496,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pu3Ta
|
hard_negative
| false
| null | 0
| 1.058341
| 1.058341
| true
|
[
"metallic"
] | null |
mp-1186813
|
[
"Br",
"Pu"
] |
[
94,
94,
94,
35
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.78059720993042,
"b": 4.78059720993042,
"c": 4.78059720993042,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pu3Br
|
hard_negative
| false
| null | 0
| 0.889434
| 0.27212
| true
|
[
"halide",
"metallic"
] | null |
mp-1186839
|
[
"Rb",
"Er"
] |
[
37,
37,
37,
68
] | 4
| 2
|
[
[
0.5,
0,
0
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 6.43297815322876,
"b": 6.43297815322876,
"c": 6.43297815322876,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Rb3Er
|
hard_negative
| false
| null | 0
| 0.639774
| 0.639774
| true
|
[
"metallic"
] | null |
mp-1186850
|
[
"Rb",
"Lu"
] |
[
37,
37,
37,
71
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 6.425564765930176,
"b": 6.425564765930176,
"c": 6.425564765930176,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Rb3Lu
|
hard_negative
| false
| null | 0
| 0.631412
| 0.631412
| true
|
[
"metallic"
] | null |
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