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-20225
|
[
"Ce",
"Pb"
] |
[
58,
82,
82,
82
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.895849227905273,
"b": 4.895849227905273,
"c": 4.895849227905273,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
CePb3
|
hard_negative
| false
| null | 0
| 0
| -0.354788
| true
|
[
"metallic"
] | null |
mp-20236
|
[
"In",
"Dy"
] |
[
66,
49,
49,
49
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.611367702484131,
"b": 4.611367702484131,
"c": 4.611367702484131,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
DyIn3
|
hard_negative
| false
| null | 0
| 0
| -0.521889
| true
|
[
"metallic"
] | null |
mp-20258
|
[
"In",
"Gd"
] |
[
64,
49,
49,
49
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.639340400695801,
"b": 4.639340400695801,
"c": 4.639340400695801,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
GdIn3
|
hard_negative
| false
| null | 0
| 0
| -0.514168
| true
|
[
"metallic"
] | null |
mp-2026
|
[
"Pr",
"Tl"
] |
[
59,
81,
81,
81
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.816746711730957,
"b": 4.816746711730957,
"c": 4.816746711730957,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PrTl3
|
hard_negative
| false
| null | 0
| 0
| -0.39557
| true
|
[
"metallic"
] | null |
mp-20262
|
[
"Pb",
"Pu"
] |
[
94,
94,
94,
82
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.794131278991699,
"b": 4.794131278991699,
"c": 4.794131278991699,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pu3Pb
|
hard_negative
| false
| null | 0
| 0.248095
| 0.23049
| true
|
[
"metallic"
] | null |
mp-20263
|
[
"Ca",
"In"
] |
[
20,
49
] | 2
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.843365430831909,
"b": 3.843365430831909,
"c": 3.843365430831909,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
CaIn
|
hard_negative
| false
| null | 0
| 0.020321
| -0.562768
| true
|
[
"metallic"
] | null |
mp-2027
|
[
"Co",
"Hf"
] |
[
72,
27
] | 2
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.163146734237671,
"b": 3.163146734237671,
"c": 3.163146734237671,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
HfCo
|
hard_negative
| false
| null | 0
| 0
| -0.43439
| true
|
[
"metallic"
] | null |
mp-20272
|
[
"Gd",
"Pt"
] |
[
64,
78,
78,
78
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.123977184295654,
"b": 4.123977184295654,
"c": 4.123977184295654,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
GdPt3
|
hard_negative
| false
| null | 0
| 0
| -0.942711
| true
|
[
"metallic"
] | null |
mp-20291
|
[
"Y",
"Pb"
] |
[
39,
82,
82,
82
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] |
{
"a": 4.862454414367676,
"b": 4.862454414367676,
"c": 4.862454414367676,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
YPb3
|
hard_negative
| false
| null | 0
| 0.015528
| -0.362491
| true
|
[
"metallic"
] | null |
mp-20298
|
[
"In",
"Sm"
] |
[
62,
49
] | 2
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 3.8190457820892334,
"b": 3.8190457820892334,
"c": 3.8190457820892334,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
SmIn
|
hard_negative
| false
| null | 0
| 0
| -0.624586
| true
|
[
"metallic"
] | null |
mp-20309
|
[
"Eu",
"Pb"
] |
[
63,
82,
82,
82
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.9374799728393555,
"b": 4.9374799728393555,
"c": 4.9374799728393555,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
EuPb3
|
hard_negative
| false
| null | 0
| 0
| -0.35228
| true
|
[
"metallic"
] | null |
mp-20336
|
[
"Sn",
"U"
] |
[
92,
50,
50,
50
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.677003860473633,
"b": 4.677003860473633,
"c": 4.677003860473633,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
USn3
|
hard_negative
| false
| null | 0
| 0
| -0.12497
| true
|
[
"metallic"
] | null |
mp-20344
|
[
"Fe",
"Ge"
] |
[
26,
26,
26,
32
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] |
{
"a": 3.6605005264282227,
"b": 3.6605005264282227,
"c": 3.6605005264282227,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Fe3Ge
|
hard_negative
| false
| null | 0
| 0
| -0.156686
| true
|
[
"metallic"
] | null |
mp-20360
|
[
"In",
"Pu"
] |
[
94,
49,
49,
49
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.64988899230957,
"b": 4.64988899230957,
"c": 4.64988899230957,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PuIn3
|
hard_negative
| false
| null | 0
| 0
| -0.4265
| true
|
[
"metallic"
] | null |
mp-20365
|
[
"Ge",
"Np"
] |
[
93,
32,
32,
32
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.244431495666504,
"b": 4.244431495666504,
"c": 4.244431495666504,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NpGe3
|
hard_negative
| false
| null | 0
| 0
| -0.258252
| true
|
[
"metallic"
] | null |
mp-20366
|
[
"Ga",
"Sm"
] |
[
62,
62,
62,
31
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.805936813354492,
"b": 4.805936813354492,
"c": 4.805936813354492,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Sm3Ga
|
hard_negative
| false
| null | 0
| 0.074265
| -0.300768
| true
|
[
"metallic"
] | null |
mp-20369
|
[
"In",
"Ce"
] |
[
58,
49,
49,
49
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.69490385055542,
"b": 4.69490385055542,
"c": 4.69490385055542,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
CeIn3
|
hard_negative
| false
| null | 0
| 0
| -0.522778
| true
|
[
"metallic"
] | null |
mp-20379
|
[
"Dy",
"Th"
] |
[
66,
90
] | 2
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.007678985595703,
"b": 4.007678985595703,
"c": 4.007678985595703,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
DyTh
|
hard_negative
| false
| null | 0
| 0.147474
| 0.147474
| true
|
[
"metallic"
] | null |
mp-20387
|
[
"Sn",
"Eu"
] |
[
63,
50,
50,
50
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.764414310455322,
"b": 4.764414310455322,
"c": 4.764414310455322,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
EuSn3
|
hard_negative
| false
| null | 0
| 0
| -0.455079
| true
|
[
"metallic"
] | null |
mp-20425
|
[
"Si",
"Np"
] |
[
93,
14,
14,
14
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.015341281890869,
"b": 4.015341281890869,
"c": 4.015341281890869,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NpSi3
|
hard_negative
| false
| null | 0
| 0.13209
| -0.230874
| true
|
[
"metallic"
] | null |
mp-20438
|
[
"Te",
"Pu"
] |
[
94,
52
] | 2
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.804363965988159,
"b": 3.804363965988159,
"c": 3.804363965988159,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PuTe
|
hard_negative
| false
| null | 0
| 0.077501
| -1.025704
| true
|
[
"metallic"
] | null |
mp-20469
|
[
"In",
"Yb"
] |
[
70,
49,
49,
49
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.579952716827393,
"b": 4.579952716827393,
"c": 4.579952716827393,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
YbIn3
|
hard_negative
| false
| null | 0
| 0
| -0.463004
| true
|
[
"metallic"
] | null |
mp-20486
|
[
"Ga",
"Pu"
] |
[
94,
94,
94,
31
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.131532192230225,
"b": 4.131532192230225,
"c": 4.131532192230225,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pu3Ga
|
hard_negative
| false
| null | 0
| 0.474777
| 0.193841
| true
|
[
"metallic"
] | null |
mp-20487
|
[
"Ga",
"La"
] |
[
57,
57,
57,
31
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.93068265914917,
"b": 4.93068265914917,
"c": 4.93068265914917,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
La3Ga
|
hard_negative
| false
| null | 0
| 0.071833
| -0.303201
| true
|
[
"metallic"
] | null |
mp-20503
|
[
"Gd",
"Tl"
] |
[
64,
81,
81,
81
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.74773645401001,
"b": 4.74773645401001,
"c": 4.74773645401001,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
GdTl3
|
hard_negative
| false
| null | 0
| 0
| -0.294203
| true
|
[
"metallic"
] | null |
mp-20516
|
[
"In",
"Pt"
] |
[
49,
78,
78,
78
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.018611907958984,
"b": 4.018611907958984,
"c": 4.018611907958984,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
InPt3
|
hard_negative
| false
| null | 0
| 0
| -0.439939
| true
|
[
"metallic"
] | null |
mp-20539
|
[
"Sc",
"In"
] |
[
21,
49,
49,
49
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.495694160461426,
"b": 4.495694160461426,
"c": 4.495694160461426,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
ScIn3
|
hard_negative
| false
| null | 0
| 0
| -0.384741
| true
|
[
"metallic"
] | null |
mp-2054
|
[
"Tb",
"Hg"
] |
[
65,
80
] | 2
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 3.7113089561462402,
"b": 3.7113089561462402,
"c": 3.7113089561462402,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
TbHg
|
hard_negative
| false
| null | 0
| 0
| -0.581279
| true
|
[
"metallic"
] | null |
mp-20549
|
[
"Ca",
"Pb"
] |
[
20,
82,
82,
82
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.917516708374023,
"b": 4.917516708374023,
"c": 4.917516708374023,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
CaPb3
|
hard_negative
| false
| null | 0
| 0
| -0.290333
| true
|
[
"metallic"
] | null |
mp-20555
|
[
"Na",
"Pb"
] |
[
11,
82,
82,
82
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.897393703460693,
"b": 4.897393703460693,
"c": 4.897393703460693,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NaPb3
|
hard_negative
| false
| null | 0
| 0
| -0.169212
| true
|
[
"metallic"
] | null |
mp-20566
|
[
"Mg",
"In"
] |
[
12,
49,
49,
49
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.588376045227051,
"b": 4.588376045227051,
"c": 4.588376045227051,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
MgIn3
|
hard_negative
| false
| null | 0
| 0.037806
| -0.0002
| true
|
[
"metallic"
] | null |
mp-20582
|
[
"In",
"La"
] |
[
57,
49
] | 2
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 3.9540772438049316,
"b": 3.9540772438049316,
"c": 3.9540772438049316,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LaIn
|
hard_negative
| false
| null | 0
| 0
| -0.648769
| true
|
[
"metallic"
] | null |
mp-2060
|
[
"Lu",
"Tl"
] |
[
71,
81,
81,
81
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.687984943389893,
"b": 4.687984943389893,
"c": 4.687984943389893,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LuTl3
|
hard_negative
| false
| null | 0
| 0
| -0.136197
| true
|
[
"metallic"
] | null |
mp-20601
|
[
"Nd",
"Pb"
] |
[
60,
82,
82,
82
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.9098076820373535,
"b": 4.9098076820373535,
"c": 4.9098076820373535,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NdPb3
|
hard_negative
| false
| null | 0
| 0
| -0.470885
| true
|
[
"metallic"
] | null |
mp-20603
|
[
"Ce",
"Tl"
] |
[
58,
81,
81,
81
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.806122779846191,
"b": 4.806122779846191,
"c": 4.806122779846191,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
CeTl3
|
hard_negative
| false
| null | 0
| 0
| -0.32597
| true
|
[
"metallic"
] | null |
mp-2061
|
[
"Tl",
"Th"
] |
[
90,
81,
81,
81
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.803474426269531,
"b": 4.803474426269531,
"c": 4.803474426269531,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
ThTl3
|
hard_negative
| false
| null | 0
| 0
| -0.235016
| true
|
[
"metallic"
] | null |
mp-20695
|
[
"Zr",
"In"
] |
[
40,
40,
40,
49
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.466931343078613,
"b": 4.466931343078613,
"c": 4.466931343078613,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Zr3In
|
hard_negative
| false
| null | 0
| 0
| -0.304235
| true
|
[
"metallic"
] | null |
mp-20729
|
[
"In",
"La"
] |
[
57,
49,
49,
49
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.774050235748291,
"b": 4.774050235748291,
"c": 4.774050235748291,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LaIn3
|
hard_negative
| false
| null | 0
| 0
| -0.59202
| true
|
[
"metallic"
] | null |
mp-20735
|
[
"Sn",
"Ce"
] |
[
58,
58,
58,
50
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.870835304260254,
"b": 4.870835304260254,
"c": 4.870835304260254,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Ce3Sn
|
hard_negative
| false
| null | 0
| 0
| -0.410198
| true
|
[
"metallic"
] | null |
mp-2077
|
[
"Mg",
"Dy"
] |
[
66,
12
] | 2
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 3.782878875732422,
"b": 3.782878875732422,
"c": 3.782878875732422,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
DyMg
|
hard_negative
| false
| null | 0
| 0
| -0.058877
| true
|
[
"metallic"
] | null |
mp-20773
|
[
"As",
"Pu"
] |
[
94,
33
] | 2
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 3.525791883468628,
"b": 3.525791883468628,
"c": 3.525791883468628,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PuAs
|
hard_negative
| false
| null | 0
| 0.207049
| -1.254467
| true
|
[
"metallic"
] | null |
mp-20786
|
[
"In",
"Dy"
] |
[
66,
66,
66,
49
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.827897071838379,
"b": 4.827897071838379,
"c": 4.827897071838379,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Dy3In
|
hard_negative
| false
| null | 0
| 0.010386
| -0.351027
| true
|
[
"metallic"
] | null |
mp-20821
|
[
"Ga",
"Np"
] |
[
93,
31,
31,
31
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.240200996398926,
"b": 4.240200996398926,
"c": 4.240200996398926,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NpGa3
|
hard_negative
| false
| null | 0
| 0
| -0.19546
| true
|
[
"metallic"
] | null |
mp-20828
|
[
"Pt",
"Pb"
] |
[
78,
78,
78,
82
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.099733829498291,
"b": 4.099733829498291,
"c": 4.099733829498291,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pt3Pb
|
hard_negative
| false
| null | 0
| 0.034658
| -0.121268
| true
|
[
"metallic"
] | null |
mp-20848
|
[
"In",
"Tm"
] |
[
69,
49
] | 2
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 3.6966710090637207,
"b": 3.6966710090637207,
"c": 3.6966710090637207,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
TmIn
|
hard_negative
| false
| null | 0
| 0
| -0.540833
| true
|
[
"metallic"
] | null |
mp-20849
|
[
"Pd",
"Pb"
] |
[
46,
46,
46,
82
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.079258918762207,
"b": 4.079258918762207,
"c": 4.079258918762207,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pd3Pb
|
hard_negative
| false
| null | 0
| 0
| -0.30311
| true
|
[
"metallic"
] | null |
mp-20874
|
[
"B",
"Eu"
] |
[
63,
5,
5,
5,
5,
5,
5
] | 7
| 2
|
[
[
0,
0,
0
],
[
0.7983171939849854,
0.5,
0.5
],
[
0.20168280601501465,
0.5,
0.5
],
[
0.5,
0.5,
0.7983171939849854
],
[
0.5,
0.5,
0.20168280601501465
],
[
0.5,
0.20168280601501465,
0.5
],
[
0.5,
0.7983171939849854,
0.5
]
] |
{
"a": 4.157890796661377,
"b": 4.157890796661377,
"c": 4.157890796661377,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
EuB6
|
hard_negative
| false
| null | 0
| 0
| -0.548947
| true
|
[
"metallic"
] | null |
mp-20885
|
[
"P",
"Fe"
] |
[
26,
26,
26,
26,
15
] | 5
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.136332035064697,
"b": 4.136332035064697,
"c": 4.136332035064697,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Fe4P
|
hard_negative
| false
| null | 0
| 0.695009
| 0.411685
| true
|
[
"metallic"
] | null |
mp-20895
|
[
"As",
"Np"
] |
[
93,
33
] | 2
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 3.501974105834961,
"b": 3.501974105834961,
"c": 3.501974105834961,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NpAs
|
hard_negative
| false
| null | 0
| 0.146775
| -1.168286
| true
|
[
"metallic"
] | null |
mp-2090
|
[
"Fe",
"Co"
] |
[
26,
27
] | 2
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 2.8390262126922607,
"b": 2.8390262126922607,
"c": 2.8390262126922607,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
FeCo
|
hard_negative
| false
| null | 0
| 0
| -0.055374
| true
|
[
"metallic"
] | null |
mp-20903
|
[
"In",
"Pr"
] |
[
59,
49,
49,
49
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.721564292907715,
"b": 4.721564292907715,
"c": 4.721564292907715,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PrIn3
|
hard_negative
| false
| null | 0
| 0
| -0.577024
| true
|
[
"metallic"
] | null |
mp-20909
|
[
"In",
"La"
] |
[
57,
57,
57,
49
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 5.092275619506836,
"b": 5.092275619506836,
"c": 5.092275619506836,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
La3In
|
hard_negative
| false
| null | 0
| 0
| -0.384702
| true
|
[
"metallic"
] | null |
mp-2092
|
[
"Pd",
"Ce"
] |
[
58,
46,
46,
46
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.13870906829834,
"b": 4.13870906829834,
"c": 4.13870906829834,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
CePd3
|
hard_negative
| false
| null | 0
| 0
| -0.821244
| true
|
[
"metallic"
] | null |
mp-20920
|
[
"In",
"Tb"
] |
[
65,
49,
49,
49
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.620796203613281,
"b": 4.620796203613281,
"c": 4.620796203613281,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
TbIn3
|
hard_negative
| false
| null | 0
| 0
| -0.538213
| true
|
[
"metallic"
] | null |
mp-2093
|
[
"Al",
"Pr"
] |
[
59,
59,
59,
13
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.927496910095215,
"b": 4.927496910095215,
"c": 4.927496910095215,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pr3Al
|
hard_negative
| false
| null | 0
| 0.032819
| -0.187741
| true
|
[
"metallic"
] | null |
mp-20939
|
[
"Pr",
"Pb"
] |
[
59,
82,
82,
82
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.925830841064453,
"b": 4.925830841064453,
"c": 4.925830841064453,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PrPb3
|
hard_negative
| false
| null | 0
| 0
| -0.481632
| true
|
[
"metallic"
] | null |
mp-20941
|
[
"In",
"U"
] |
[
92,
49,
49,
49
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.645208835601807,
"b": 4.645208835601807,
"c": 4.645208835601807,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
UIn3
|
hard_negative
| false
| null | 0
| 0
| -0.302537
| true
|
[
"metallic"
] | null |
mp-20943
|
[
"Te",
"Pb"
] |
[
52,
82
] | 2
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.002286911010742,
"b": 4.002286911010742,
"c": 4.002286911010742,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
TePb
|
hard_negative
| false
| null | 0
| 0.227904
| -0.275926
| true
|
[
"metallic"
] | null |
mp-20971
|
[
"Sn",
"Pt"
] |
[
50,
78,
78,
78
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] |
{
"a": 4.029278755187988,
"b": 4.029278755187988,
"c": 4.029278755187988,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
SnPt3
|
hard_negative
| false
| null | 0
| 0
| -0.401705
| true
|
[
"metallic"
] | null |
mp-20984
|
[
"In",
"Ce"
] |
[
58,
58,
58,
49
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.90036153793335,
"b": 4.90036153793335,
"c": 4.90036153793335,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Ce3In
|
hard_negative
| false
| null | 0
| 0
| -0.343617
| true
|
[
"metallic"
] | null |
mp-20997
|
[
"Ni",
"In"
] |
[
49,
28
] | 2
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.1472630500793457,
"b": 3.1472630500793457,
"c": 3.1472630500793457,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
InNi
|
hard_negative
| false
| null | 0
| 0.092188
| -0.121018
| true
|
[
"metallic"
] | null |
mp-21005
|
[
"In",
"Gd"
] |
[
64,
49
] | 2
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.799659013748169,
"b": 3.799659013748169,
"c": 3.799659013748169,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
GdIn
|
hard_negative
| false
| null | 0
| 0.00151
| -0.565428
| true
|
[
"metallic"
] | null |
mp-21008
|
[
"Ni",
"Ge"
] |
[
28,
28,
28,
32
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 3.530333995819092,
"b": 3.530333995819092,
"c": 3.530333995819092,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Ni3Ge
|
hard_negative
| false
| null | 0
| 0
| -0.24728
| true
|
[
"metallic"
] | null |
mp-2103
|
[
"Cu",
"Au"
] |
[
29,
79,
79,
79
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] |
{
"a": 4.012901782989502,
"b": 4.012901782989502,
"c": 4.012901782989502,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
CuAu3
|
hard_negative
| false
| null | 0
| 0.006435
| -0.017634
| true
|
[
"metallic"
] | null |
mp-21039
|
[
"S",
"Pb"
] |
[
82,
16
] | 2
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.6536591053009033,
"b": 3.6536591053009033,
"c": 3.6536591053009033,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PbS
|
hard_negative
| false
| null | 0
| 0.258718
| -0.525332
| true
|
[
"sulfide",
"metallic"
] | null |
mp-21063
|
[
"S",
"U"
] |
[
92,
92,
92,
92,
16,
16,
16
] | 7
| 2
|
[
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0,
0,
0.5
]
] |
{
"a": 5.4148969650268555,
"b": 5.4148969650268555,
"c": 5.4148969650268555,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
U4S3
|
hard_negative
| false
| null | 0
| 0.29665
| -1.140194
| true
|
[
"sulfide",
"metallic"
] | null |
mp-21085
|
[
"Pd",
"Pu"
] |
[
94,
46,
46,
46
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.131114482879639,
"b": 4.131114482879639,
"c": 4.131114482879639,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PuPd3
|
hard_negative
| false
| null | 0
| 0
| -0.48326
| true
|
[
"metallic"
] | null |
mp-21087
|
[
"As",
"U"
] |
[
92,
33
] | 2
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 3.5061750411987305,
"b": 3.5061750411987305,
"c": 3.5061750411987305,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
UAs
|
hard_negative
| false
| null | 0
| 0.130024
| -1.01547
| true
|
[
"metallic"
] | null |
mp-21143
|
[
"P",
"Ce"
] |
[
58,
15
] | 2
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.503340005874634,
"b": 3.503340005874634,
"c": 3.503340005874634,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
CeP
|
hard_negative
| false
| null | 0
| 0.344033
| -1.412966
| true
|
[
"metallic"
] | null |
mp-21156
|
[
"Tb",
"Pb"
] |
[
65,
82,
82,
82
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] |
{
"a": 4.854820251464844,
"b": 4.854820251464844,
"c": 4.854820251464844,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
TbPb3
|
hard_negative
| false
| null | 0
| 0
| -0.296452
| true
|
[
"metallic"
] | null |
mp-21162
|
[
"Sr",
"Pb"
] |
[
38,
82,
82,
82
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.004822254180908,
"b": 5.004822254180908,
"c": 5.004822254180908,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
SrPb3
|
hard_negative
| false
| null | 0
| 0
| -0.424019
| true
|
[
"metallic"
] | null |
mp-21172
|
[
"Pb",
"Pu"
] |
[
94,
82,
82,
82
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.812078952789307,
"b": 4.812078952789307,
"c": 4.812078952789307,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PuPb3
|
hard_negative
| false
| null | 0
| 0
| -0.052815
| true
|
[
"metallic"
] | null |
mp-21177
|
[
"In",
"Tm"
] |
[
69,
49,
49,
49
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.585329055786133,
"b": 4.585329055786133,
"c": 4.585329055786133,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
TmIn3
|
hard_negative
| false
| null | 0
| 0
| -0.470479
| true
|
[
"metallic"
] | null |
mp-21197
|
[
"In",
"Nd"
] |
[
60,
49,
49,
49
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.698614597320557,
"b": 4.698614597320557,
"c": 4.698614597320557,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NdIn3
|
hard_negative
| false
| null | 0
| 0
| -0.580238
| true
|
[
"metallic"
] | null |
mp-21202
|
[
"In",
"Sm"
] |
[
62,
62,
62,
49
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.927850246429443,
"b": 4.927850246429443,
"c": 4.927850246429443,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Sm3In
|
hard_negative
| false
| null | 0
| 0
| -0.371565
| true
|
[
"metallic"
] | null |
mp-2121
|
[
"Al",
"Sc"
] |
[
21,
13,
13,
13
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.087806701660156,
"b": 4.087806701660156,
"c": 4.087806701660156,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
ScAl3
|
hard_negative
| false
| null | 0
| 0
| -0.479127
| true
|
[
"metallic"
] | null |
mp-21214
|
[
"Se",
"Pb"
] |
[
82,
34
] | 2
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.7843220233917236,
"b": 3.7843220233917236,
"c": 3.7843220233917236,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PbSe
|
hard_negative
| false
| null | 0
| 0.237021
| -0.435552
| true
|
[
"metallic"
] | null |
mp-21215
|
[
"Pd",
"In"
] |
[
49,
46
] | 2
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.2718846797943115,
"b": 3.2718846797943115,
"c": 3.2718846797943115,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
InPd
|
hard_negative
| false
| null | 0
| 0.011752
| -0.549168
| true
|
[
"metallic"
] | null |
mp-21253
|
[
"Mg",
"Eu"
] |
[
63,
12
] | 2
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.041332721710205,
"b": 4.041332721710205,
"c": 4.041332721710205,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
EuMg
|
hard_negative
| false
| null | 0
| 0.016101
| -0.048319
| true
|
[
"metallic"
] | null |
mp-2126
|
[
"Hf",
"Ir"
] |
[
72,
77,
77,
77
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 3.9430580139160156,
"b": 3.9430580139160156,
"c": 3.9430580139160156,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
HfIr3
|
hard_negative
| false
| null | 0
| 0
| -0.817065
| true
|
[
"metallic"
] | null |
mp-21263
|
[
"Sb",
"Pu"
] |
[
94,
51
] | 2
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.790830135345459,
"b": 3.790830135345459,
"c": 3.790830135345459,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PuSb
|
hard_negative
| false
| null | 0
| 0.065013
| -0.437309
| true
|
[
"metallic"
] | null |
mp-21289
|
[
"Ti",
"Zn"
] |
[
22,
30,
30,
30
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 3.880833148956299,
"b": 3.880833148956299,
"c": 3.880833148956299,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
TiZn3
|
hard_negative
| false
| null | 0
| 0.006044
| -0.200148
| true
|
[
"metallic"
] | null |
mp-213
|
[
"Ca",
"Pd"
] |
[
20,
46
] | 2
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.505685567855835,
"b": 3.505685567855835,
"c": 3.505685567855835,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
CaPd
|
hard_negative
| false
| null | 0
| 0.006872
| -0.645456
| true
|
[
"metallic"
] | null |
mp-2134
|
[
"Al",
"Er"
] |
[
68,
13,
13,
13
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.202094078063965,
"b": 4.202094078063965,
"c": 4.202094078063965,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
ErAl3
|
hard_negative
| false
| null | 0
| 0.007975
| -0.452358
| true
|
[
"metallic"
] | null |
mp-21343
|
[
"B",
"Ce"
] |
[
58,
5,
5,
5,
5,
5,
5
] | 7
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0,
0,
0.6992950439453125
],
[
0,
0,
0.3007049262523651
],
[
0,
0.6992950439453125,
0
],
[
0,
0.3007049262523651,
0
],
[
0.3007049262523651,
0,
0
],
[
0.6992950439453125,
0,
0
]
] |
{
"a": 4.12831449508667,
"b": 4.12831449508667,
"c": 4.12831449508667,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
CeB6
|
hard_negative
| false
| null | 0
| 0
| -0.584409
| true
|
[
"metallic"
] | null |
mp-21381
|
[
"Pb",
"Th"
] |
[
90,
82,
82,
82
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.895122051239014,
"b": 4.895122051239014,
"c": 4.895122051239014,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
ThPb3
|
hard_negative
| false
| null | 0
| 0
| -0.320556
| true
|
[
"metallic"
] | null |
mp-214
|
[
"Zr",
"Ru"
] |
[
40,
44
] | 2
| 2
|
[
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 3.2620046138763428,
"b": 3.2620046138763428,
"c": 3.2620046138763428,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
ZrRu
|
hard_negative
| false
| null | 0
| 0
| -0.738869
| true
|
[
"metallic"
] | null |
mp-21412
|
[
"Ce",
"Tl"
] |
[
58,
58,
58,
81
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.901923179626465,
"b": 4.901923179626465,
"c": 4.901923179626465,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Ce3Tl
|
hard_negative
| false
| null | 0
| 0
| -0.26994
| true
|
[
"metallic"
] | null |
mp-21427
|
[
"Pd",
"Gd"
] |
[
64,
46,
46,
46
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.1197123527526855,
"b": 4.1197123527526855,
"c": 4.1197123527526855,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
GdPd3
|
hard_negative
| false
| null | 0
| 0
| -0.848479
| true
|
[
"metallic"
] | null |
mp-21430
|
[
"Yb",
"Pb"
] |
[
70,
82,
82,
82
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] |
{
"a": 4.82755184173584,
"b": 4.82755184173584,
"c": 4.82755184173584,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
YbPb3
|
hard_negative
| false
| null | 0
| 0
| -0.273654
| true
|
[
"metallic"
] | null |
mp-21431
|
[
"In",
"Ho"
] |
[
67,
49,
49,
49
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.602265357971191,
"b": 4.602265357971191,
"c": 4.602265357971191,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
HoIn3
|
hard_negative
| false
| null | 0
| 0
| -0.382079
| true
|
[
"metallic"
] | null |
mp-21432
|
[
"La",
"Pb"
] |
[
57,
82,
82,
82
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.9483160972595215,
"b": 4.9483160972595215,
"c": 4.9483160972595215,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LaPb3
|
hard_negative
| false
| null | 0
| 0
| -0.447222
| true
|
[
"metallic"
] | null |
mp-21481
|
[
"Pr",
"Pb"
] |
[
59,
59,
59,
82
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.01773738861084,
"b": 5.01773738861084,
"c": 5.01773738861084,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Pr3Pb
|
hard_negative
| false
| null | 0
| 0.041937
| -0.428569
| true
|
[
"metallic"
] | null |
mp-21482
|
[
"In",
"Np"
] |
[
93,
49,
49,
49
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.65945291519165,
"b": 4.65945291519165,
"c": 4.65945291519165,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
NpIn3
|
hard_negative
| false
| null | 0
| 0.006129
| 0.006129
| true
|
[
"metallic"
] | null |
mp-21483
|
[
"In",
"Nd"
] |
[
60,
60,
60,
49
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.992816925048828,
"b": 4.992816925048828,
"c": 4.992816925048828,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Nd3In
|
hard_negative
| false
| null | 0
| 0
| -0.372707
| true
|
[
"metallic"
] | null |
mp-21484
|
[
"Ge",
"Pu"
] |
[
94,
32,
32,
32
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.260204315185547,
"b": 4.260204315185547,
"c": 4.260204315185547,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
PuGe3
|
hard_negative
| false
| null | 0
| 0
| -0.393389
| true
|
[
"metallic"
] | null |
mp-2163
|
[
"Rh",
"Ho"
] |
[
67,
45
] | 2
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.386496067047119,
"b": 3.386496067047119,
"c": 3.386496067047119,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
HoRh
|
hard_negative
| false
| null | 0
| 0
| -0.907488
| true
|
[
"metallic"
] | null |
mp-2165
|
[
"Zn",
"Sm"
] |
[
62,
30
] | 2
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.6238067150115967,
"b": 3.6238067150115967,
"c": 3.6238067150115967,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
SmZn
|
hard_negative
| false
| null | 0
| 0
| -0.329719
| true
|
[
"metallic"
] | null |
mp-2167
|
[
"Ag",
"Dy"
] |
[
66,
47
] | 2
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.6067051887512207,
"b": 3.6067051887512207,
"c": 3.6067051887512207,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
DyAg
|
hard_negative
| false
| null | 0
| 0
| -0.323087
| true
|
[
"metallic"
] | null |
mp-217
|
[
"Er",
"Tl"
] |
[
68,
81
] | 2
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.7751739025115967,
"b": 3.7751739025115967,
"c": 3.7751739025115967,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
ErTl
|
hard_negative
| false
| null | 0
| 0.008756
| -0.294314
| true
|
[
"metallic"
] | null |
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