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
],
[
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0.5,
0.5
],
[
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0.5,
0.5
],
[
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0.5,
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],
[
0.5,
0.5,
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],
[
0.5,
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0.5
],
[
0.5,
0.7983171939849854,... | {
"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
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[
0.5,
0,
0.5
],
[
0.5,
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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,
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0
],
[
0.5,
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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,
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"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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