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,
"b": 5.266608715057373,
"c": 5.266608715057373,
"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,
"b": 4.931575775146484,
"c": 4.931575775146484,
"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,
"b": 5.027703762054443,
"c": 5.027703762054443,
"alpha": 90,
"beta": 90,
"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
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.151553153991699,
"b": 5.151553153991699,
"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
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.027851104736328,
"b": 4.027851104736328,
"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
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.203568935394287,
"b": 5.203568935394287,
"c": 5.203568935394287,
"alpha": 90,
"beta": 90,
"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
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.178689002990723,
"b": 4.178689002990723,
"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
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 4.62533712387085,
"b": 4.62533712387085,
"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
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.5165534019470215,
"b": 4.5165534019470215,
"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
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.6287431716918945,
"b": 4.6287431716918945,
"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
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.671716213226318,
"b": 4.671716213226318,
"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,
"b": 4.840208053588867,
"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,
"b": 4.8566999435424805,
"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,
"b": 5.13106632232666,
"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
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.116452693939209,
"b": 5.116452693939209,
"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,
"b": 4.804251670837402,
"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,
"b": 4.9726362228393555,
"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,
"b": 5.1459479331970215,
"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,
"b": 5.157676696777344,
"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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