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-1186017 | [
"Na",
"Ag"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
47,
47,
47,
47
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 7.498734951019287,
"b": 7.498734951019287,
"c": 7.498734951019287,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na3Ag | hard_negative | false | null | 0 | 0.079432 | 0.049963 | true | [
"metallic"
] | null |
mp-1186018 | [
"Na",
"Au"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
79,
79,
79,
79
] | 16 | 2 | [
[
0.25,
0.75,
0.25
],
[
0.25,
0.25,
0.25
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.75
],
[
0.75,
0.25,
0.75
],
[
0,
0,
0.... | {
"a": 7.2318596839904785,
"b": 7.2318596839904785,
"c": 7.2318596839904785,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na3Au | hard_negative | false | null | 0 | 0.043166 | -0.179823 | true | [
"metallic"
] | null |
mp-1186020 | [
"B",
"Na"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
5,
5,
5,
5
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 7.020304203033447,
"b": 7.020304203033447,
"c": 7.020304203033447,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na3B | hard_negative | false | null | 0 | 0.857402 | 0.828705 | true | [
"metallic"
] | null |
mp-1186023 | [
"P",
"Mo"
] | [
42,
42,
42,
42,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
... | {
"a": 6.0627121925354,
"b": 6.0627121925354,
"c": 6.0627121925354,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | MoP3 | hard_negative | false | null | 0 | 0.797705 | 0.356998 | true | [
"metallic"
] | null |
mp-1186024 | [
"Na",
"Cd"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
48,
48,
48,
48
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 7.75248384475708,
"b": 7.75248384475708,
"c": 7.75248384475708,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na3Cd | hard_negative | false | null | 0 | 0 | -0.017759 | true | [
"metallic"
] | null |
mp-1186039 | [
"Na",
"Eu"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
63,
63,
63,
63
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 8.644594192504883,
"b": 8.644594192504883,
"c": 8.644594192504883,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na3Eu | hard_negative | false | null | 0 | 0.115588 | 0.115588 | true | [
"metallic"
] | null |
mp-1186045 | [
"Na",
"Ga"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
31,
31,
31,
31
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 7.651241779327393,
"b": 7.651241779327393,
"c": 7.651241779327393,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na3Ga | hard_negative | false | null | 0 | 0.113945 | 0.04886 | true | [
"metallic"
] | null |
mp-1186047 | [
"Na",
"In"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
49,
49,
49,
49
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 7.780918121337891,
"b": 7.780918121337891,
"c": 7.780918121337891,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na3In | hard_negative | false | null | 0 | 0.049876 | -0.081999 | true | [
"metallic"
] | null |
mp-1186051 | [
"Na",
"La"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
57,
57,
57,
57
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 8.362126350402832,
"b": 8.362126350402832,
"c": 8.362126350402832,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na3La | hard_negative | false | null | 0 | 0.317071 | 0.317071 | true | [
"metallic"
] | null |
mp-1186064 | [
"Na",
"Os"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
76,
76,
76,
76
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 7.195332050323486,
"b": 7.195332050323486,
"c": 7.195332050323486,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na3Os | hard_negative | false | null | 0 | 1.12906 | 1.12906 | true | [
"metallic"
] | null |
mp-1186065 | [
"Na",
"Ce"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
58,
58,
58,
58
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 8.507107734680176,
"b": 8.507107734680176,
"c": 8.507107734680176,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na3Ce | hard_negative | false | null | 0 | 0.464398 | 0.464398 | true | [
"metallic"
] | null |
mp-1186073 | [
"Na",
"Ni"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
28,
28,
28,
28
] | 16 | 2 | [
[
0.5,
0,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0,
0,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.2... | {
"a": 7.285193920135498,
"b": 7.285193920135498,
"c": 7.285193920135498,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na3Ni | hard_negative | false | null | 0 | 0.416754 | 0.416754 | true | [
"metallic"
] | null |
mp-1186074 | [
"Na",
"Pd"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
46,
46,
46,
46
] | 16 | 2 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0,
0.5,
0
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0,
0,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.5,
0.5,
0.... | {
"a": 7.1504902839660645,
"b": 7.1504902839660645,
"c": 7.1504902839660645,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na3Pd | hard_negative | false | null | 0 | 0.017987 | 0.017987 | true | [
"metallic"
] | null |
mp-1186079 | [
"Na",
"Si"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
14,
14,
14,
14
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 7.320260047912598,
"b": 7.320260047912598,
"c": 7.320260047912598,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na3Si | hard_negative | false | null | 0 | 0.179099 | 0.144418 | true | [
"metallic"
] | null |
mp-1186080 | [
"Na",
"Sn"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
50,
50,
50,
50
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 7.587793827056885,
"b": 7.587793827056885,
"c": 7.587793827056885,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na3Sn | hard_negative | false | null | 0 | 0.045904 | -0.180928 | true | [
"metallic"
] | null |
mp-1186089 | [
"Na",
"Yb"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
70,
70,
70,
70
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 8.213666915893555,
"b": 8.213666915893555,
"c": 8.213666915893555,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Na3Yb | hard_negative | false | null | 0 | 0.454047 | 0.454047 | true | [
"metallic"
] | null |
mp-1186105 | [
"Na",
"Ac"
] | [
11,
11,
11,
11,
89,
89,
89,
89,
89,
89,
89,
89,
89,
89,
89,
89
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
... | {
"a": 8.897478103637695,
"b": 8.897478103637695,
"c": 8.897478103637695,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaAc3 | hard_negative | false | null | 0 | 0.207693 | 0.207693 | true | [
"metallic"
] | null |
mp-1186129 | [
"Na",
"Ca"
] | [
11,
11,
11,
11,
20,
20,
20,
20,
20,
20,
20,
20,
20,
20,
20,
20
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
... | {
"a": 8.674652099609375,
"b": 8.674652099609375,
"c": 8.674652099609375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaCa3 | hard_negative | false | null | 0 | 0.087386 | 0.087386 | true | [
"metallic"
] | null |
mp-1186131 | [
"Na",
"Dy"
] | [
11,
11,
11,
11,
66,
66,
66,
66,
66,
66,
66,
66,
66,
66,
66,
66
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
... | {
"a": 7.963811874389648,
"b": 7.963811874389648,
"c": 7.963811874389648,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaDy3 | hard_negative | false | null | 0 | 0.310781 | 0.310781 | true | [
"metallic"
] | null |
mp-1186142 | [
"Na",
"Hg"
] | [
11,
11,
11,
11,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
... | {
"a": 7.32215690612793,
"b": 7.32215690612793,
"c": 7.32215690612793,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaHg3 | hard_negative | false | null | 0 | 0.01543 | -0.197312 | true | [
"metallic"
] | null |
mp-1186143 | [
"Na",
"Lu"
] | [
11,
11,
11,
11,
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
71
] | 16 | 2 | [
[
0,
0,
0
],
[
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0.5
],
[
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0.5
],
[
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0
],
[
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],
[
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],
[
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],
[
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],
[
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0.25
],
[
... | {
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"b": 7.768893718719482,
"c": 7.768893718719482,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaLu3 | hard_negative | false | null | 0 | 0.366225 | 0.366225 | true | [
"metallic"
] | null |
mp-1186145 | [
"Na",
"Ho"
] | [
11,
11,
11,
11,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67
] | 16 | 2 | [
[
0,
0,
0
],
[
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0.5
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[
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[
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],
[
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[
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],
[
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0,
0
],
[
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],
[
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0.25
],
[
... | {
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"b": 7.921832084655762,
"c": 7.921832084655762,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaHo3 | hard_negative | false | null | 0 | 0.31508 | 0.31508 | true | [
"metallic"
] | null |
mp-1186160 | [
"Cu",
"Np"
] | [
93,
93,
93,
93,
93,
93,
93,
93,
93,
93,
93,
93,
29,
29,
29,
29
] | 16 | 2 | [
[
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0.25
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[
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0.75
],
[
0,
0.5,
0
],
[
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0.75
],
[
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0.25
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[
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0,
0.5
],
[
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0.75
],
[
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0.25
],
[
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0.5,
0.... | {
"a": 6.437295913696289,
"b": 6.437295913696289,
"c": 6.437295913696289,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Np3Cu | hard_negative | false | null | 0 | 0.315725 | 0.315725 | true | [
"metallic"
] | null |
mp-1186178 | [
"Na",
"Tb"
] | [
11,
11,
11,
11,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65
] | 16 | 2 | [
[
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0,
0
],
[
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[
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],
[
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0
],
[
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[
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],
[
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0,
0
],
[
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],
[
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0.25
],
[
... | {
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"b": 7.9821882247924805,
"c": 7.9821882247924805,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaTb3 | hard_negative | false | null | 0 | 0.307666 | 0.307666 | true | [
"metallic"
] | null |
mp-1186191 | [
"Na",
"Y"
] | [
11,
11,
11,
11,
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
39
] | 16 | 2 | [
[
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0,
0
],
[
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0.5
],
[
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0.5
],
[
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0
],
[
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],
[
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],
[
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0,
0
],
[
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0.25
],
[
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0.25
],
[
... | {
"a": 8.022252082824707,
"b": 8.022252082824707,
"c": 8.022252082824707,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaY3 | hard_negative | false | null | 0 | 0.310303 | 0.310303 | true | [
"metallic"
] | null |
mp-1186194 | [
"B",
"Np"
] | [
93,
93,
93,
93,
93,
93,
93,
93,
93,
93,
93,
93,
5,
5,
5,
5
] | 16 | 2 | [
[
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0.75,
0.25
],
[
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],
[
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0
],
[
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],
[
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],
[
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0.5
],
[
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0.75
],
[
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0.75
],
[
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0,
0.5
... | {
"a": 6.24765157699585,
"b": 6.24765157699585,
"c": 6.24765157699585,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Np3B | hard_negative | false | null | 0 | 0.446372 | 0.228534 | true | [
"metallic"
] | null |
mp-1186214 | [
"Cu",
"Nb"
] | [
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
29,
29,
29,
29
] | 16 | 2 | [
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0.75,
0.75
],
[
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[
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0,
0
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[
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0.25
],
[
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[
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0.5
],
[
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],
[
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0.25,
0.25
],
[
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0,
0.... | {
"a": 6.4770121574401855,
"b": 6.4770121574401855,
"c": 6.4770121574401855,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Nb3Cu | hard_negative | false | null | 0 | 0.171096 | 0.171096 | true | [
"metallic"
] | null |
mp-1186218 | [
"Nb",
"Os"
] | [
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
76,
76,
76,
76
] | 16 | 2 | [
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0.75
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[
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[
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0
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[
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[
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[
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],
[
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[
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0.25
],
[
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0,
0.... | {
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"b": 6.471156120300293,
"c": 6.471156120300293,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Nb3Os | hard_negative | false | null | 0 | 0.010133 | -0.271538 | true | [
"metallic"
] | null |
mp-1186296 | [
"Cd",
"Nd"
] | [
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60,
60,
60,
48,
48,
48,
48,
48,
48,
48,
48,
48,
48,
48,
48
] | 16 | 2 | [
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0,
0
],
[
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0.5
],
[
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],
[
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0
],
[
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[
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[
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0,
0
],
[
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],
[
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0.25
],
[
... | {
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"c": 7.253562927246094,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NdCd3 | hard_negative | false | null | 0 | 0 | -0.278589 | true | [
"metallic"
] | null |
mp-1186327 | [
"Nd",
"Ta"
] | [
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60,
60,
60,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73
] | 16 | 2 | [
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0,
0
],
[
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0.5
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[
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0,
0.5
],
[
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0
],
[
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[
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],
[
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0,
0
],
[
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],
[
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0.75,
0.25
],
[
... | {
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"b": 6.9358320236206055,
"c": 6.9358320236206055,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NdTa3 | hard_negative | false | null | 0 | 0.530152 | 0.530152 | true | [
"metallic"
] | null |
mp-1186352 | [
"O",
"Os"
] | [
76,
76,
76,
76,
76,
76,
76,
76,
76,
76,
76,
76,
8,
8,
8,
8
] | 16 | 2 | [
[
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0.75
],
[
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],
[
0.5,
0,
0
],
[
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0.25
],
[
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],
[
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0.5
],
[
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0.25,
0.25
],
[
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0.75,
0.25
],
[
0,
0,
0.... | {
"a": 5.962051868438721,
"b": 5.962051868438721,
"c": 5.962051868438721,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Os3O | hard_negative | false | null | 0 | 1.160567 | 0.656792 | true | [
"oxide",
"metallic"
] | null |
mp-1186354 | [
"F",
"Os"
] | [
76,
76,
76,
76,
76,
76,
76,
76,
76,
76,
76,
76,
9,
9,
9,
9
] | 16 | 2 | [
[
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0.75
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[
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[
0.5,
0,
0
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[
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],
[
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[
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0.5
],
[
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[
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0.75,
0.25
],
[
0,
0,
0.... | {
"a": 6.010389804840088,
"b": 6.010389804840088,
"c": 6.010389804840088,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Os3F | hard_negative | false | null | 0 | 0.967575 | 0.417279 | true | [
"halide",
"metallic"
] | null |
mp-1186356 | [
"Cl",
"Os"
] | [
76,
76,
76,
76,
76,
76,
76,
76,
76,
76,
76,
76,
17,
17,
17,
17
] | 16 | 2 | [
[
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0.25,
0.75
],
[
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[
0.5,
0,
0
],
[
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],
[
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],
[
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0.5
],
[
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0.25
],
[
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0.75,
0.25
],
[
0,
0,
0.... | {
"a": 6.210351943969727,
"b": 6.210351943969727,
"c": 6.210351943969727,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Os3Cl | hard_negative | false | null | 0 | 1.423117 | 1.261716 | true | [
"halide",
"metallic"
] | null |
mp-1186360 | [
"H",
"P"
] | [
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
1,
1,
1,
1
] | 16 | 2 | [
[
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0.25,
0.75
],
[
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],
[
0.5,
0,
0
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[
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[
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[
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0.5
],
[
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0.25
],
[
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0.75,
0.25
],
[
0,
0,
0.... | {
"a": 5.7382378578186035,
"b": 5.7382378578186035,
"c": 5.7382378578186035,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | P3H | hard_negative | false | null | 0 | 0.782461 | 0.778146 | true | [
"metallic"
] | null |
mp-1186361 | [
"P",
"W"
] | [
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15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
74,
74,
74,
74
] | 16 | 2 | [
[
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0.25,
0.75
],
[
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[
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0,
0
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[
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],
[
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[
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0.5
],
[
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0.25
],
[
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0.75,
0.25
],
[
0,
0,
0.... | {
"a": 6.069392204284668,
"b": 6.069392204284668,
"c": 6.069392204284668,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | P3W | hard_negative | false | null | 0 | 0.776444 | 0.490317 | true | [
"metallic"
] | null |
mp-1186383 | [
"Os",
"Pb"
] | [
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76,
76,
76,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82
] | 16 | 2 | [
[
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0,
0
],
[
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[
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],
[
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0
],
[
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[
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[
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0
],
[
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],
[
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],
[
... | {
"a": 7.310972213745117,
"b": 7.310972213745117,
"c": 7.310972213745117,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | OsPb3 | hard_negative | false | null | 0 | 0.858868 | 0.858868 | true | [
"metallic"
] | null |
mp-1186399 | [
"Re",
"Pa"
] | [
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91,
91,
91,
91,
91,
91,
91,
91,
91,
91,
91,
75,
75,
75,
75
] | 16 | 2 | [
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[
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],
[
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0,
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[
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],
[
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[
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],
[
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],
[
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],
[
0,
0,
0.... | {
"a": 7.051342010498047,
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"c": 7.051342010498047,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pa3Re | hard_negative | false | null | 0 | 0.186239 | 0.186239 | true | [
"metallic"
] | null |
mp-1186418 | [
"Ti",
"Pa"
] | [
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91,
91,
91,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22
] | 16 | 2 | [
[
0,
0,
0
],
[
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],
[
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],
[
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[
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[
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[
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[
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[
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],
[
... | {
"a": 6.671026229858398,
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"c": 6.671026229858398,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PaTi3 | hard_negative | false | null | 0 | 0.055699 | 0.055699 | true | [
"metallic"
] | null |
mp-1186424 | [
"F",
"Pd"
] | [
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46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
9,
9,
9,
9
] | 16 | 2 | [
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[
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[
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[
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[
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[
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[
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],
[
0,
0,
0.... | {
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"c": 6.180109977722168,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pd3F | hard_negative | false | null | 0 | 0.443059 | -0.074126 | true | [
"halide",
"metallic"
] | null |
mp-1186431 | [
"S",
"Pd"
] | [
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46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
16,
16,
16,
16
] | 16 | 2 | [
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[
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[
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[
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[
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[
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],
[
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[
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],
[
0,
0,
0.... | {
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"beta": 90,
"gamma": 90
} | 225 | Pd3S | hard_negative | false | null | 0 | 0.332157 | 0.070075 | true | [
"sulfide",
"metallic"
] | null |
mp-1186448 | [
"O",
"Pb"
] | [
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
8,
8,
8,
8
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 7.357100009918213,
"b": 7.357100009918213,
"c": 7.357100009918213,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pb3O | hard_negative | false | null | 0 | 0.737046 | 0.00206 | true | [
"oxide",
"metallic"
] | null |
mp-1186538 | [
"Pm",
"Au"
] | [
61,
61,
61,
61,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
... | {
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"b": 6.962416648864746,
"c": 6.962416648864746,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PmAu3 | hard_negative | false | null | 0 | 0.02258 | -0.712735 | true | [
"metallic"
] | null |
mp-1186580 | [
"Pm",
"Hg"
] | [
61,
61,
61,
61,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0,
0.5,
0
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
... | {
"a": 7.274838924407959,
"b": 7.274838924407959,
"c": 7.274838924407959,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PmHg3 | hard_negative | false | null | 0 | 0 | -0.434079 | true | [
"metallic"
] | null |
mp-1186603 | [
"Mg",
"Pm"
] | [
61,
61,
61,
61,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
... | {
"a": 7.3658552169799805,
"b": 7.3658552169799805,
"c": 7.3658552169799805,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PmMg3 | hard_negative | false | null | 0 | 0 | -0.096128 | true | [
"metallic"
] | null |
mp-1186650 | [
"Pm",
"Ta"
] | [
61,
61,
61,
61,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
... | {
"a": 6.920182228088379,
"b": 6.920182228088379,
"c": 6.920182228088379,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PmTa3 | hard_negative | false | null | 0 | 0.499645 | 0.499645 | true | [
"metallic"
] | null |
mp-1186664 | [
"Au",
"Pu"
] | [
94,
94,
94,
94,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
... | {
"a": 6.9376540184021,
"b": 6.9376540184021,
"c": 6.9376540184021,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PuAu3 | hard_negative | false | null | 0 | 0.48695 | -0.075906 | true | [
"metallic"
] | null |
mp-1186703 | [
"Cr",
"Pr"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
24,
24,
24,
24
] | 16 | 2 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0,
0.5,
0
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0,
0,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.5,
0.5,
0.... | {
"a": 7.856210231781006,
"b": 7.856210231781006,
"c": 7.856210231781006,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pr3Cr | hard_negative | false | null | 0 | 0.382994 | 0.382994 | true | [
"metallic"
] | null |
mp-1186771 | [
"Sr",
"Yb"
] | [
38,
38,
38,
38,
70,
70,
70,
70,
70,
70,
70,
70,
70,
70,
70,
70
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
... | {
"a": 8.160512924194336,
"b": 8.160512924194336,
"c": 8.160512924194336,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrYb3 | hard_negative | false | null | 0 | 0.295217 | 0.295217 | true | [
"metallic"
] | null |
mp-1186783 | [
"Cl",
"Pt"
] | [
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
17,
17,
17,
17
] | 16 | 2 | [
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.75,
0.25
],
[
0.25,
0.25,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.75,
0.25
],
[
0,
0,
0.... | {
"a": 6.400819778442383,
"b": 6.400819778442383,
"c": 6.400819778442383,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Pt3Cl | hard_negative | false | null | 0 | 0.76857 | 0.590421 | true | [
"halide",
"metallic"
] | null |
mp-1186792 | [
"Hg",
"Pu"
] | [
94,
94,
94,
94,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
[
0,
0.5,
0
],
[
0.25,
0.25,
0.75
],
[
0.75,
0.25,
0.75
],
[
... | {
"a": 7.311823844909668,
"b": 7.311823844909668,
"c": 7.311823844909668,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PuHg3 | hard_negative | false | null | 0 | 0 | -0.233401 | true | [
"metallic"
] | null |
mp-1186802 | [
"Ag",
"Pu"
] | [
94,
94,
94,
94,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
... | {
"a": 7.085951805114746,
"b": 7.085951805114746,
"c": 7.085951805114746,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PuAg3 | hard_negative | false | null | 0 | 0.082228 | 0.082228 | true | [
"metallic"
] | null |
mp-1186808 | [
"Mg",
"Pu"
] | [
94,
94,
94,
94,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.... | {
"a": 7.19923210144043,
"b": 7.19923210144043,
"c": 7.19923210144043,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PuMg3 | hard_negative | false | null | 0 | 0.125555 | 0.125555 | true | [
"metallic"
] | null |
mp-1186824 | [
"Np",
"Pu"
] | [
94,
94,
94,
94,
93,
93,
93,
93,
93,
93,
93,
93,
93,
93,
93,
93
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0,
0.5,
0
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
... | {
"a": 6.512214183807373,
"b": 6.512214183807373,
"c": 6.512214183807373,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PuNp3 | hard_negative | false | null | 0 | 0.45904 | 0.45904 | true | [
"metallic"
] | null |
mp-1186838 | [
"Rb",
"Er"
] | [
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
68,
68,
68,
68
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.5
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.75,
0.75
],
[
0,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
... | {
"a": 10.209566116333008,
"b": 10.209566116333008,
"c": 10.209566116333008,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Rb3Er | hard_negative | false | null | 0 | 0.633027 | 0.633027 | true | [
"metallic"
] | null |
mp-1186848 | [
"Rb",
"In"
] | [
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
49,
49,
49,
49
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 9.709004402160645,
"b": 9.709004402160645,
"c": 9.709004402160645,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Rb3In | hard_negative | false | null | 0 | 0.165141 | 0.107872 | true | [
"metallic"
] | null |
mp-1186852 | [
"Mg",
"Rb"
] | [
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
12,
12,
12,
12
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.25,
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0.25
],
[
0.75,
0.75,
0.25
],
[
0,
0,
0.5
],
[
0.75,
0.25,
0.2... | {
"a": 10.157631874084473,
"b": 10.157631874084473,
"c": 10.157631874084473,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Rb3Mg | hard_negative | false | null | 0 | 0.184755 | 0.184755 | true | [
"metallic"
] | null |
mp-1186857 | [
"Rb",
"Re"
] | [
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
75,
75,
75,
75
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
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0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 9.294918060302734,
"b": 9.294918060302734,
"c": 9.294918060302734,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Rb3Re | hard_negative | false | null | 0 | 1.558224 | 1.558224 | true | [
"metallic"
] | null |
mp-1186859 | [
"Mn",
"Rb"
] | [
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
25,
25,
25,
25
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
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0.25
],
[
0.5,
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0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 9.788366317749023,
"b": 9.788366317749023,
"c": 9.788366317749023,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Rb3Mn | hard_negative | false | null | 0 | 0.683111 | 0.683111 | true | [
"metallic"
] | null |
mp-1186865 | [
"Rb",
"Rh"
] | [
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
45,
45,
45,
45
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
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0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 8.544258117675781,
"b": 8.544258117675781,
"c": 8.544258117675781,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Rb3Rh | hard_negative | false | null | 0 | 0.646042 | 0.646042 | true | [
"metallic"
] | null |
mp-1186869 | [
"Rb",
"Ta"
] | [
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
73,
73,
73,
73
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 9.432275772094727,
"b": 9.432275772094727,
"c": 9.432275772094727,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Rb3Ta | hard_negative | false | null | 0 | 1.459703 | 1.459703 | true | [
"metallic"
] | null |
mp-1186872 | [
"Rb",
"Tb"
] | [
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
65,
65,
65,
65
] | 16 | 2 | [
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0.75,
0.75
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[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
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0.25,
0.25
],
[
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0.25
],
[
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0.5,
0.5
],
[
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0.75,
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],
[
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0.25,
0.25
],
[
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0,
0.... | {
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"b": 10.26830005645752,
"c": 10.26830005645752,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Rb3Tb | hard_negative | false | null | 0 | 0.643097 | 0.643097 | true | [
"metallic"
] | null |
mp-1186873 | [
"Rb",
"Sr"
] | [
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
38,
38,
38,
38
] | 16 | 2 | [
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[
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[
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[
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[
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[
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0.5
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[
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[
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0.25,
0.25
],
[
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0,
0.... | {
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"b": 10.880576133728027,
"c": 10.880576133728027,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Rb3Sr | hard_negative | false | null | 0 | 0.135942 | 0.135942 | true | [
"metallic"
] | null |
mp-1186876 | [
"Rb",
"W"
] | [
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37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
74,
74,
74,
74
] | 16 | 2 | [
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0.75
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[
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[
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[
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[
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[
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0.5
],
[
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[
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0.25,
0.25
],
[
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0,
0.... | {
"a": 9.594889640808105,
"b": 9.594889640808105,
"c": 9.594889640808105,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Rb3W | hard_negative | false | null | 0 | 1.544127 | 1.544127 | true | [
"metallic"
] | null |
mp-1186882 | [
"Rb",
"Zr"
] | [
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
40,
40,
40,
40
] | 16 | 2 | [
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[
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[
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[
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[
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[
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0.5
],
[
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[
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0.25,
0.25
],
[
0,
0,
0.... | {
"a": 9.833160400390625,
"b": 9.833160400390625,
"c": 9.833160400390625,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Rb3Zr | hard_negative | false | null | 0 | 1.022008 | 1.022008 | true | [
"metallic"
] | null |
mp-1186895 | [
"H",
"Re"
] | [
75,
75,
75,
75,
75,
75,
75,
75,
75,
75,
75,
75,
1,
1,
1,
1
] | 16 | 2 | [
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0.75
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[
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[
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[
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[
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[
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0.5
],
[
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[
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0.25,
0.25
],
[
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0,
0.... | {
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"b": 5.991702079772949,
"c": 5.991702079772949,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Re3H | hard_negative | false | null | 0 | 0.777424 | 0.777424 | true | [
"metallic"
] | null |
mp-1186896 | [
"Ag",
"Re"
] | [
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75,
75,
75,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47
] | 16 | 2 | [
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0
],
[
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[
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[
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[
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[
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[
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[
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[
... | {
"a": 6.51298189163208,
"b": 6.51298189163208,
"c": 6.51298189163208,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ReAg3 | hard_negative | false | null | 0 | 0.895789 | 0.895789 | true | [
"metallic"
] | null |
mp-1186907 | [
"As",
"Re"
] | [
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75,
75,
75,
33,
33,
33,
33,
33,
33,
33,
33,
33,
33,
33,
33
] | 16 | 2 | [
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0,
0
],
[
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[
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[
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[
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[
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[
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[
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[
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0.25
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[
... | {
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"b": 6.4149699211120605,
"c": 6.4149699211120605,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ReAs3 | hard_negative | false | null | 0 | 0.654438 | 0.583458 | true | [
"metallic"
] | null |
mp-1186909 | [
"F",
"Ru"
] | [
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44,
44,
44,
44,
44,
44,
44,
44,
44,
44,
44,
9,
9,
9,
9
] | 16 | 2 | [
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[
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[
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[
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[
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[
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[
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[
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0.75,
0.25
],
[
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0,
0.... | {
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"b": 5.962649822235107,
"c": 5.962649822235107,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ru3F | hard_negative | false | null | 0 | 0.871312 | 0.265429 | true | [
"halide",
"metallic"
] | null |
mp-1186946 | [
"Rb",
"Eu"
] | [
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37,
37,
37,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63
] | 16 | 2 | [
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0
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[
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[
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[
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[
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[
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0
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[
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[
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[
... | {
"a": 9.74165153503418,
"b": 9.74165153503418,
"c": 9.74165153503418,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbEu3 | hard_negative | false | null | 0 | 0.277266 | 0.277266 | true | [
"metallic"
] | null |
mp-1186973 | [
"Sc",
"Ag"
] | [
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21,
21,
21,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47
] | 16 | 2 | [
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0
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[
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[
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[
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[
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[
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0
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[
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],
[
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],
[
... | {
"a": 6.639754295349121,
"b": 6.639754295349121,
"c": 6.639754295349121,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ScAg3 | hard_negative | false | null | 0 | 0.068512 | -0.156942 | true | [
"metallic"
] | null |
mp-1186977 | [
"Sc",
"Au"
] | [
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21,
21,
21,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 2 | [
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0,
0
],
[
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[
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0,
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[
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0
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[
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[
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[
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[
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[
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[
... | {
"a": 6.62898063659668,
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"c": 6.62898063659668,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ScAu3 | hard_negative | false | null | 0 | 0.074201 | -0.62323 | true | [
"metallic"
] | null |
mp-1186998 | [
"Si",
"Au"
] | [
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14,
14,
14,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 2 | [
[
0,
0,
0
],
[
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0.5
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[
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0,
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[
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0
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[
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[
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[
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0
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[
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[
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0.25
],
[
... | {
"a": 6.571467876434326,
"b": 6.571467876434326,
"c": 6.571467876434326,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SiAu3 | hard_negative | false | null | 0 | 0.164292 | 0.164292 | true | [
"metallic"
] | null |
mp-1187027 | [
"Ge",
"Sn"
] | [
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
32,
32,
32,
32
] | 16 | 2 | [
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0.75
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[
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[
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0,
0
],
[
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],
[
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[
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],
[
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[
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0.25,
0.25
],
[
0,
0,
0.... | {
"a": 7.417640209197998,
"b": 7.417640209197998,
"c": 7.417640209197998,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sn3Ge | hard_negative | false | null | 0 | 0.14818 | 0.14818 | true | [
"metallic"
] | null |
mp-1187035 | [
"P",
"Sn"
] | [
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
15,
15,
15,
15
] | 16 | 2 | [
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[
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[
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0,
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[
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[
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[
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],
[
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[
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0.25,
0.25
],
[
0,
0,
0.... | {
"a": 7.347055912017822,
"b": 7.347055912017822,
"c": 7.347055912017822,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sn3P | hard_negative | false | null | 0 | 0.309086 | 0.306804 | true | [
"metallic"
] | null |
mp-1187036 | [
"Rh",
"Sn"
] | [
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
45,
45,
45,
45
] | 16 | 2 | [
[
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[
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[
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0,
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[
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[
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[
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[
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[
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0.25,
0.25
],
[
0,
0,
0.... | {
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"b": 7.082925796508789,
"c": 7.082925796508789,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sn3Rh | hard_negative | false | null | 0 | 0.425743 | 0.101351 | true | [
"metallic"
] | null |
mp-1187038 | [
"S",
"Sn"
] | [
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
16,
16,
16,
16
] | 16 | 2 | [
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[
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[
0.5,
0,
0
],
[
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[
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[
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],
[
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[
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0.25,
0.25
],
[
0,
0,
0.... | {
"a": 7.327919960021973,
"b": 7.327919960021973,
"c": 7.327919960021973,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sn3S | hard_negative | false | null | 0 | 0.316785 | 0.080744 | true | [
"sulfide",
"metallic"
] | null |
mp-1187055 | [
"Se",
"Sn"
] | [
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
34,
34,
34,
34
] | 16 | 2 | [
[
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[
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[
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0,
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[
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[
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[
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[
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[
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0.25,
0.25
],
[
0,
0,
0.... | {
"a": 7.466276168823242,
"b": 7.466276168823242,
"c": 7.466276168823242,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sn3Se | hard_negative | false | null | 0 | 0.259655 | 0.032882 | true | [
"metallic"
] | null |
mp-1187107 | [
"Ca",
"Sr"
] | [
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38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
20,
20,
20,
20
] | 16 | 2 | [
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[
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[
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0,
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[
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[
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[
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[
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[
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],
[
0,
0,
0.... | {
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"b": 9.460904121398926,
"c": 9.460904121398926,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sr3Ca | hard_negative | false | null | 0 | 0.057118 | 0.057118 | true | [
"metallic"
] | null |
mp-1187120 | [
"Sr",
"Nb"
] | [
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
41,
41,
41,
41
] | 16 | 2 | [
[
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[
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[
0.5,
0,
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[
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],
[
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[
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0.5
],
[
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[
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0.25,
0.25
],
[
0,
0,
0.... | {
"a": 8.580907821655273,
"b": 8.580907821655273,
"c": 8.580907821655273,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sr3Nb | hard_negative | false | null | 0 | 0.734068 | 0.734068 | true | [
"metallic"
] | null |
mp-1187122 | [
"Sr",
"Mo"
] | [
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
42,
42,
42,
42
] | 16 | 2 | [
[
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[
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[
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0,
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[
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],
[
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[
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],
[
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[
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0.25,
0.25
],
[
0,
0,
0.... | {
"a": 8.477953910827637,
"b": 8.477953910827637,
"c": 8.477953910827637,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sr3Mo | hard_negative | false | null | 0 | 0.839718 | 0.839718 | true | [
"metallic"
] | null |
mp-1187127 | [
"Sr",
"La"
] | [
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
57,
57,
57,
57
] | 16 | 2 | [
[
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0.75
],
[
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[
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0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 9.17242431640625,
"b": 9.17242431640625,
"c": 9.17242431640625,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sr3La | hard_negative | false | null | 0 | 0.149374 | 0.149374 | true | [
"metallic"
] | null |
mp-1187130 | [
"Sr",
"Eu"
] | [
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
63,
63,
63,
63
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 9.489558219909668,
"b": 9.489558219909668,
"c": 9.489558219909668,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sr3Eu | hard_negative | false | null | 0 | 0.07229 | 0.07229 | true | [
"metallic"
] | null |
mp-1187140 | [
"Sr",
"Th"
] | [
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
90,
90,
90,
90
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 8.969526290893555,
"b": 8.969526290893555,
"c": 8.969526290893555,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sr3Th | hard_negative | false | null | 0 | 0.403074 | 0.403074 | true | [
"metallic"
] | null |
mp-1187144 | [
"Sr",
"W"
] | [
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
74,
74,
74,
74
] | 16 | 2 | [
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.75,
0.25
],
[
0.25,
0.25,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.75,
0.25
],
[
0,
0,
0.... | {
"a": 8.256908416748047,
"b": 8.256908416748047,
"c": 8.256908416748047,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sr3W | hard_negative | false | null | 0 | 1.078291 | 1.078291 | true | [
"metallic"
] | null |
mp-1187152 | [
"Sr",
"Cd"
] | [
38,
38,
38,
38,
48,
48,
48,
48,
48,
48,
48,
48,
48,
48,
48,
48
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
... | {
"a": 7.437522888183594,
"b": 7.437522888183594,
"c": 7.437522888183594,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrCd3 | hard_negative | false | null | 0 | 0.04993 | -0.200901 | true | [
"metallic"
] | null |
mp-1187155 | [
"Ca",
"Sr"
] | [
38,
38,
38,
38,
20,
20,
20,
20,
20,
20,
20,
20,
20,
20,
20,
20
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
... | {
"a": 9.035752296447754,
"b": 9.035752296447754,
"c": 9.035752296447754,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrCa3 | hard_negative | false | null | 0 | 0.038698 | 0.038698 | true | [
"metallic"
] | null |
mp-1187159 | [
"Sr",
"Pa"
] | [
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
91,
91,
91,
91
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 8.969236373901367,
"b": 8.969236373901367,
"c": 8.969236373901367,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sr3Pa | hard_negative | false | null | 0 | 0.722541 | 0.722541 | true | [
"metallic"
] | null |
mp-1187181 | [
"Sr",
"Eu"
] | [
38,
38,
38,
38,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
... | {
"a": 9.147913932800293,
"b": 9.147913932800293,
"c": 9.147913932800293,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrEu3 | hard_negative | false | null | 0 | 0.0703 | 0.0703 | true | [
"metallic"
] | null |
mp-1187196 | [
"Ta",
"Ir"
] | [
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
77,
77,
77,
77
] | 16 | 2 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0,
0.5,
0
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0,
0,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.5,
0.5,
0.... | {
"a": 6.451943397521973,
"b": 6.451943397521973,
"c": 6.451943397521973,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ta3Ir | hard_negative | false | null | 0 | 0 | -0.357769 | true | [
"metallic"
] | null |
mp-1187197 | [
"Ta",
"Os"
] | [
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
76,
76,
76,
76
] | 16 | 2 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0,
0.5,
0
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0,
0,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.5,
0.5,
0.... | {
"a": 6.445636749267578,
"b": 6.445636749267578,
"c": 6.445636749267578,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ta3Os | hard_negative | false | null | 0 | 0 | -0.303158 | true | [
"metallic"
] | null |
mp-1187203 | [
"Ta",
"Re"
] | [
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
75,
75,
75,
75
] | 16 | 2 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0,
0.5,
0
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0,
0,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.5,
0.5,
0.... | {
"a": 6.475034236907959,
"b": 6.475034236907959,
"c": 6.475034236907959,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ta3Re | hard_negative | false | null | 0 | 0.023771 | -0.247185 | true | [
"metallic"
] | null |
mp-1187204 | [
"Ta",
"Pt"
] | [
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
78,
78,
78,
78
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 6.493439197540283,
"b": 6.493439197540283,
"c": 6.493439197540283,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ta3Pt | hard_negative | false | null | 0 | 0.053864 | -0.22505 | true | [
"metallic"
] | null |
mp-1187206 | [
"Ta",
"W"
] | [
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
74,
74,
74,
74
] | 16 | 2 | [
[
0.75,
0.75,
0.25
],
[
0.75,
0.75,
0.75
],
[
0,
0.5,
0
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.... | {
"a": 6.534346580505371,
"b": 6.534346580505371,
"c": 6.534346580505371,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Ta3W | hard_negative | false | null | 0 | 0 | -0.027936 | true | [
"metallic"
] | null |
mp-1187253 | [
"Ti",
"Ta"
] | [
73,
73,
73,
73,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
... | {
"a": 6.533055782318115,
"b": 6.533055782318115,
"c": 6.533055782318115,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TaTi3 | hard_negative | false | null | 0 | 0.097495 | 0.097495 | true | [
"metallic"
] | null |
mp-1187254 | [
"Sb",
"Ta"
] | [
73,
73,
73,
73,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
... | {
"a": 7.209829807281494,
"b": 7.209829807281494,
"c": 7.209829807281494,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TaSb3 | hard_negative | false | null | 0 | 0.587869 | 0.461805 | true | [
"metallic"
] | null |
mp-1187262 | [
"Sr",
"U"
] | [
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
92,
92,
92,
92
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 9.429723739624023,
"b": 9.429723739624023,
"c": 9.429723739624023,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Sr3U | hard_negative | false | null | 0 | 0.78892 | 0.78892 | true | [
"metallic"
] | null |
mp-1187307 | [
"V",
"Tb"
] | [
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
23,
23,
23,
23
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 7.607848167419434,
"b": 7.607848167419434,
"c": 7.607848167419434,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Tb3V | hard_negative | false | null | 0 | 0.332462 | 0.332462 | true | [
"metallic"
] | null |
mp-1187380 | [
"Tb",
"Ta"
] | [
65,
65,
65,
65,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73
] | 16 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
... | {
"a": 6.88360595703125,
"b": 6.88360595703125,
"c": 6.88360595703125,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TbTa3 | hard_negative | false | null | 0 | 0.412557 | 0.412557 | true | [
"metallic"
] | null |
mp-1187385 | [
"Ge",
"Tc"
] | [
43,
43,
43,
43,
43,
43,
43,
43,
43,
43,
43,
43,
32,
32,
32,
32
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 6.113899230957031,
"b": 6.113899230957031,
"c": 6.113899230957031,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Tc3Ge | hard_negative | false | null | 0 | 0.104603 | 0.021715 | true | [
"metallic"
] | null |
mp-1187392 | [
"Tc",
"Te"
] | [
43,
43,
43,
43,
43,
43,
43,
43,
43,
43,
43,
43,
52,
52,
52,
52
] | 16 | 2 | [
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.5,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.5,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
0,
0.... | {
"a": 6.36417818069458,
"b": 6.36417818069458,
"c": 6.36417818069458,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Tc3Te | hard_negative | false | null | 0 | 0.505988 | 0.305519 | true | [
"metallic"
] | null |
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