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-867317 | [
"Si",
"Cu"
] | [
29,
29,
29,
29,
29,
29,
14,
14
] | 8 | 2 | [
[
0.16796700656414032,
0.33593401312828064,
0.25
],
[
0.6640660166740417,
0.8320329785346985,
0.25
],
[
0.16796700656414032,
0.8320329785346985,
0.25
],
[
0.8320329785346985,
0.6640660166740417,
0.75
],
[
0.33593401312828064,
0.1679670065641403... | {
"a": 5.135067939758301,
"b": 5.135067939758301,
"c": 4.074583530426025,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Cu3Si | hard_negative | false | null | 0 | 0.026809 | -0.046227 | true | [
"metallic"
] | null |
mp-867318 | [
"Eu",
"Tl"
] | [
63,
63,
63,
63,
63,
63,
81,
81
] | 8 | 2 | [
[
0.17578701674938202,
0.35157403349876404,
0.25
],
[
0.6484259963035583,
0.8242129683494568,
0.25
],
[
0.17578701674938202,
0.8242129683494568,
0.25
],
[
0.8242129683494568,
0.6484259963035583,
0.75
],
[
0.35157403349876404,
0.1757870167493820... | {
"a": 7.394193649291992,
"b": 7.394193649291992,
"c": 5.703187465667725,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Eu3Tl | hard_negative | false | null | 0 | 0 | -0.296251 | true | [
"metallic"
] | null |
mp-867345 | [
"Tc",
"Ir"
] | [
43,
43,
77,
77,
77,
77,
77,
77
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16647081077098846,
0.33294162154197693,
0.25
],
[
0.6670583486557007,
0.8335291743278503,
0.25
],
[
0.16647081077098846,
0.8335291743278503,... | {
"a": 5.482487201690674,
"b": 5.482487201690674,
"c": 4.365940570831299,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | TcIr3 | hard_negative | false | null | 0 | 0 | -0.178942 | true | [
"metallic"
] | null |
mp-867352 | [
"Tc",
"Rh"
] | [
43,
43,
45,
45,
45,
45,
45,
45
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16838957369327545,
0.3367791473865509,
0.25
],
[
0.6632208824157715,
0.8316104412078857,
0.25
],
[
0.16838957369327545,
0.8316104412078857,
... | {
"a": 5.434629440307617,
"b": 5.434629440307617,
"c": 4.320679664611816,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | TcRh3 | hard_negative | false | null | 0 | 0 | -0.090637 | true | [
"metallic"
] | null |
mp-867356 | [
"Tc",
"Ru"
] | [
43,
43,
44,
44,
44,
44,
44,
44
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1675204336643219,
0.3350408673286438,
0.25
],
[
0.6649591326713562,
0.8324795961380005,
0.25
],
[
0.1675204336643219,
0.8324795961380005,
... | {
"a": 5.439443111419678,
"b": 5.439443111419678,
"c": 4.277015209197998,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | TcRu3 | hard_negative | false | null | 0 | 0 | -0.071404 | true | [
"metallic"
] | null |
mp-867357 | [
"Ni",
"Tc"
] | [
43,
43,
43,
43,
43,
43,
28,
28
] | 8 | 2 | [
[
0.8340725898742676,
0.6681451797485352,
0.75
],
[
0.16592741012573242,
0.8340725898742676,
0.25
],
[
0.6681451797485352,
0.8340725898742676,
0.25
],
[
0.16592741012573242,
0.33185482025146484,
0.25
],
[
0.8340725898742676,
0.16592741012573242... | {
"a": 5.32623291015625,
"b": 5.32623291015625,
"c": 4.298920631408691,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Tc3Ni | hard_negative | false | null | 0 | 0 | -0.115397 | true | [
"metallic"
] | null |
mp-867368 | [
"Sn",
"Eu"
] | [
63,
63,
63,
63,
63,
63,
50,
50
] | 8 | 2 | [
[
0.35148945450782776,
0.17574472725391388,
0.75
],
[
0.8242552876472473,
0.17574472725391388,
0.75
],
[
0.8242552876472473,
0.6485105156898499,
0.75
],
[
0.6485105156898499,
0.8242552876472473,
0.25
],
[
0.17574472725391388,
0.8242552876472473... | {
"a": 7.263309001922607,
"b": 7.263309001922607,
"c": 5.717583656311035,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Eu3Sn | hard_negative | false | null | 0 | 0.013486 | -0.549623 | true | [
"metallic"
] | null |
mp-867770 | [
"Ba",
"Hg"
] | [
56,
56,
80,
80,
80,
80,
80,
80
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.14617884159088135,
0.2923576831817627,
0.25
],
[
0.7076423168182373,
0.8538211584091187,
0.25
],
[
0.14617884159088135,
0.8538211584091187,
... | {
"a": 7.384978771209717,
"b": 7.384978771209717,
"c": 5.2052998542785645,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | BaHg3 | hard_negative | false | null | 0 | 0 | -0.434172 | true | [
"metallic"
] | null |
mp-867792 | [
"Re",
"Ir"
] | [
75,
75,
77,
77,
77,
77,
77,
77
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16696466505527496,
0.3339293301105499,
0.25
],
[
0.6660706996917725,
0.8330353498458862,
0.25
],
[
0.16696466505527496,
0.8330353498458862,
... | {
"a": 5.502565860748291,
"b": 5.502565860748291,
"c": 4.37807559967041,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | ReIr3 | hard_negative | false | null | 0 | 0 | -0.136249 | true | [
"metallic"
] | null |
mp-867797 | [
"Rb",
"Tl"
] | [
37,
37,
81,
81,
81,
81,
81,
81
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.13581117987632751,
0.27162235975265503,
0.25
],
[
0.728377640247345,
0.8641887903213501,
0.25
],
[
0.13581117987632751,
0.8641887903213501,
... | {
"a": 8.263206481933594,
"b": 8.263206481933594,
"c": 5.196440696716309,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | RbTl3 | hard_negative | false | null | 0 | 0.015387 | -0.063524 | true | [
"metallic"
] | null |
mp-867800 | [
"Se",
"Ac"
] | [
89,
89,
34,
34,
34,
34,
34,
34
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.17393486201763153,
0.34786972403526306,
0.25
],
[
0.6521303057670593,
0.8260651230812073,
0.25
],
[
0.17393486201763153,
0.8260651230812073,... | {
"a": 6.241337299346924,
"b": 6.241337299346924,
"c": 6.174400329589844,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | AcSe3 | hard_negative | false | null | 0 | 0.278026 | -1.206916 | true | [
"metallic"
] | null |
mp-867815 | [
"Ga",
"Ac"
] | [
89,
89,
31,
31,
31,
31,
31,
31
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.13147899508476257,
0.26295799016952515,
0.25
],
[
0.7370420098304749,
0.8685210347175598,
0.25
],
[
0.13147899508476257,
0.8685210347175598,... | {
"a": 6.863370895385742,
"b": 6.863370895385742,
"c": 4.604822635650635,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | AcGa3 | hard_negative | false | null | 0 | 0.026945 | -0.59593 | true | [
"metallic"
] | null |
mp-867838 | [
"Au",
"Ac"
] | [
89,
89,
79,
79,
79,
79,
79,
79
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.14575953781604767,
0.29151907563209534,
0.25
],
[
0.7084808945655823,
0.8542404770851135,
0.25
],
[
0.14575953781604767,
0.8542404770851135,... | {
"a": 6.9228668212890625,
"b": 6.9228668212890625,
"c": 4.689735412597656,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | AcAu3 | hard_negative | false | null | 0 | 0 | -0.771292 | true | [
"metallic"
] | null |
mp-867865 | [
"Rh",
"Re"
] | [
75,
75,
45,
45,
45,
45,
45,
45
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16859112679958344,
0.33718225359916687,
0.25
],
[
0.6628177762031555,
0.8314088582992554,
0.25
],
[
0.16859112679958344,
0.8314088582992554,... | {
"a": 5.450508117675781,
"b": 5.450508117675781,
"c": 4.333518981933594,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | ReRh3 | hard_negative | false | null | 0 | 0 | -0.085446 | true | [
"metallic"
] | null |
mp-867870 | [
"Al",
"Sm"
] | [
62,
62,
13,
13,
13,
13,
13,
13
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.8583193421363831,
0.14168062806129456,
0.75
],
[
0.14168062806129456,
0.2833612561225891,
0.25
],
[
0.7166387438774109,
0.8583193421363831,
... | {
"a": 6.411249160766602,
"b": 6.411249160766602,
"c": 4.592656135559082,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SmAl3 | hard_negative | false | null | 0 | 0 | -0.494441 | true | [
"metallic"
] | null |
mp-867879 | [
"Sm",
"Hg"
] | [
62,
62,
80,
80,
80,
80,
80,
80
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.163639098405838,
0.327278196811676,
0.25
],
[
0.672721803188324,
0.8363608717918396,
0.25
],
[
0.163639098405838,
0.8363608717918396,
0.... | {
"a": 6.697983741760254,
"b": 6.697983741760254,
"c": 4.996135711669922,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SmHg3 | hard_negative | false | null | 0 | 0 | -0.446875 | true | [
"metallic"
] | null |
mp-867890 | [
"Cd",
"Ac"
] | [
89,
89,
48,
48,
48,
48,
48,
48
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.14811311662197113,
0.29622623324394226,
0.25
],
[
0.7037737369537354,
0.8518868684768677,
0.25
],
[
0.14811311662197113,
0.8518868684768677,... | {
"a": 7.228343486785889,
"b": 7.228343486785889,
"c": 4.9786529541015625,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | AcCd3 | hard_negative | false | null | 0 | 0.026777 | -0.301566 | true | [
"metallic"
] | null |
mp-867907 | [
"Si",
"Pu"
] | [
94,
94,
14,
14,
14,
14,
14,
14
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.142292782664299,
0.284585565328598,
0.25
],
[
0.7154144644737244,
0.8577072024345398,
0.25
],
[
0.142292782664299,
0.8577072024345398,
0... | {
"a": 5.912347316741943,
"b": 5.912347316741943,
"c": 4.393214702606201,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PuSi3 | hard_negative | false | null | 0 | 0.087597 | -0.349135 | true | [
"metallic"
] | null |
mp-877 | [
"In",
"Er"
] | [
68,
68,
68,
68,
49,
49
] | 6 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.6666666865348816,
0.3333333432674408,
0.75
],
[
0.3333333432674408,
0.6666666865348816,
0.25... | {
"a": 5.3083930015563965,
"b": 5.3083930015563965,
"c": 6.645425796508789,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Er2In | hard_negative | false | null | 0 | 0 | -0.459436 | true | [
"metallic"
] | null |
mp-900 | [
"Se",
"Rh"
] | [
45,
45,
34,
34
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0,
0.5
],
[
0.3333333432674408,
0.6666666865348816,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.75
]
] | {
"a": 3.769193649291992,
"b": 3.769193649291992,
"c": 5.6699419021606445,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | RhSe | hard_negative | false | null | 0 | 0.112944 | -0.313848 | true | [
"metallic"
] | null |
mp-938875 | [
"Mg",
"Sn"
] | [
12,
12,
12,
12,
12,
12,
50,
50
] | 8 | 2 | [
[
0.16490516066551208,
0.32981032133102417,
0.75
],
[
0.16490516066551208,
0.8350948095321655,
0.75
],
[
0.6701896786689758,
0.8350948095321655,
0.75
],
[
0.8350948095321655,
0.6701896786689758,
0.25
],
[
0.8350948095321655,
0.16490516066551208... | {
"a": 6.314930438995361,
"b": 6.314930438995361,
"c": 5.1165642738342285,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Mg3Sn | hard_negative | false | null | 0 | 0.047047 | -0.078277 | true | [
"metallic"
] | null |
mp-956096 | [
"Fe",
"Hf"
] | [
72,
72,
72,
72,
26,
26,
26,
26,
26,
26,
26,
26
] | 12 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.06110906973481178
],
[
0.6666666865348816,
0.3333333432674408,
0.9388909339904785
],
[
0.6666666865348816,
0.3333333432674408,
0.5611090660095215
],
[
0.3333333432674408,
0.6666666865348816,
0.4388909339904785
... | {
"a": 4.975803375244141,
"b": 4.975803375244141,
"c": 8.090827941894531,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | HfFe2 | hard_negative | false | null | 0 | 0.013043 | -0.333083 | true | [
"metallic"
] | null |
mp-959 | [
"Al",
"La"
] | [
57,
57,
13,
13,
13,
13,
13,
13
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.75
],
[
0.8644633889198303,
0.7289268374443054,
0.25
],
[
0.13553659617900848,
0.8644633889198303,
0.75
],
[
0.7289268374443054,
0.8644633889198303,
... | {
"a": 6.694576263427734,
"b": 6.694576263427734,
"c": 4.622475624084473,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LaAl3 | hard_negative | false | null | 0 | 0 | -0.489353 | true | [
"metallic"
] | null |
mp-971740 | [
"As",
"Sr"
] | [
38,
38,
38,
38,
38,
38,
33,
33
] | 8 | 2 | [
[
0.3512449860572815,
0.17562249302864075,
0.75
],
[
0.8243774771690369,
0.17562249302864075,
0.75
],
[
0.8243774771690369,
0.6487550139427185,
0.75
],
[
0.6487550139427185,
0.8243774771690369,
0.25
],
[
0.17562249302864075,
0.8243774771690369,... | {
"a": 7.566268444061279,
"b": 7.566268444061279,
"c": 5.788072109222412,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sr3As | hard_negative | false | null | 0 | 0.37889 | -0.453963 | true | [
"metallic"
] | null |
mp-971768 | [
"Ti",
"Br"
] | [
22,
22,
22,
22,
22,
22,
35,
35
] | 8 | 2 | [
[
0.32027098536491394,
0.16013549268245697,
0.75
],
[
0.8398644924163818,
0.16013549268245697,
0.75
],
[
0.8398644924163818,
0.6797289848327637,
0.75
],
[
0.6797289848327637,
0.8398644924163818,
0.25
],
[
0.16013549268245697,
0.8398644924163818... | {
"a": 5.674056053161621,
"b": 5.674056053161621,
"c": 4.936838150024414,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ti3Br | hard_negative | false | null | 0 | 0.713623 | 0.163421 | true | [
"halide",
"metallic"
] | null |
mp-971788 | [
"V",
"Ru"
] | [
23,
23,
44,
44,
44,
44,
44,
44
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16873227059841156,
0.3374645411968231,
0.25
],
[
0.6625354290008545,
0.8312677145004272,
0.25
],
[
0.16873227059841156,
0.8312677145004272,
... | {
"a": 5.422533988952637,
"b": 5.422533988952637,
"c": 4.243663311004639,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | VRu3 | hard_negative | false | null | 0 | 0.05834 | -0.117837 | true | [
"metallic"
] | null |
mp-971794 | [
"Mg",
"Y"
] | [
39,
39,
12,
12,
12,
12,
12,
12
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.16261102259159088,
0.32522204518318176,
0.25
],
[
0.16261102259159088,
0.8373889923095703,
0.25
],
[
0.6747779846191406,
0.8373889923095703,... | {
"a": 6.684930801391602,
"b": 6.684930801391602,
"c": 5.167031288146973,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | YMg3 | hard_negative | false | null | 0 | 0.008625 | -0.048872 | true | [
"metallic"
] | null |
mp-971901 | [
"Zn",
"Pb"
] | [
30,
30,
82,
82,
82,
82,
82,
82
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3413659930229187,
0.17068299651145935,
0.75
],
[
0.8293169736862183,
0.17068299651145935,
0.75
],
[
0.8293169736862183,
0.6586340069770813,
... | {
"a": 6.867685794830322,
"b": 6.867685794830322,
"c": 5.59983491897583,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | ZnPb3 | hard_negative | false | null | 0 | 0.112075 | 0.112075 | true | [
"metallic"
] | null |
mp-971909 | [
"Zn",
"Pd"
] | [
30,
30,
46,
46,
46,
46,
46,
46
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16833241283893585,
0.3366648256778717,
0.25
],
[
0.6633351445198059,
0.8316676020622253,
0.25
],
[
0.16833241283893585,
0.8316676020622253,
... | {
"a": 5.498172283172607,
"b": 5.498172283172607,
"c": 4.46573543548584,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | ZnPd3 | hard_negative | false | null | 0 | 0.027753 | -0.318896 | true | [
"metallic"
] | null |
mp-971919 | [
"Zn",
"Sn"
] | [
30,
30,
50,
50,
50,
50,
50,
50
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3383370041847229,
0.16916850209236145,
0.75
],
[
0.8308315277099609,
0.16916850209236145,
0.75
],
[
0.8308315277099609,
0.6616629958152771,
... | {
"a": 6.5709614753723145,
"b": 6.5709614753723145,
"c": 5.4568281173706055,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | ZnSn3 | hard_negative | false | null | 0 | 0.112768 | 0.112768 | true | [
"metallic"
] | null |
mp-971920 | [
"Mg",
"Tm"
] | [
69,
69,
12,
12,
12,
12,
12,
12
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.16348516941070557,
0.32697033882141113,
0.25
],
[
0.16348516941070557,
0.8365148305892944,
0.25
],
[
0.6730296611785889,
0.8365148305892944,... | {
"a": 6.606123447418213,
"b": 6.606123447418213,
"c": 5.140334129333496,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | TmMg3 | hard_negative | false | null | 0 | 0.009441 | -0.038278 | true | [
"metallic"
] | null |
mp-972002 | [
"Yb",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
70,
70
] | 8 | 2 | [
[
0.3413250744342804,
0.1706625372171402,
0.75
],
[
0.829337477684021,
0.1706625372171402,
0.75
],
[
0.829337477684021,
0.658674955368042,
0.75
],
[
0.658674955368042,
0.829337477684021,
0.25
],
[
0.1706625372171402,
0.829337477684021,
0.25... | {
"a": 7.8817362785339355,
"b": 7.8817362785339355,
"c": 6.229665279388428,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ac3Yb | hard_negative | false | null | 0 | 0.050885 | 0.050885 | true | [
"metallic"
] | null |
mp-972042 | [
"Cu",
"Zn"
] | [
30,
30,
30,
30,
30,
30,
29,
29
] | 8 | 2 | [
[
0.16972973942756653,
0.33945947885513306,
0.25
],
[
0.6605405211448669,
0.8302702903747559,
0.25
],
[
0.16972973942756653,
0.8302702903747559,
0.25
],
[
0.8302702903747559,
0.6605405211448669,
0.75
],
[
0.33945947885513306,
0.1697297394275665... | {
"a": 5.3768534660339355,
"b": 5.3768534660339355,
"c": 4.219035625457764,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Zn3Cu | hard_negative | false | null | 0 | 0 | -0.08088 | true | [
"metallic"
] | null |
mp-972055 | [
"Rb",
"Yb"
] | [
37,
37,
37,
37,
37,
37,
70,
70
] | 8 | 2 | [
[
0.35182440280914307,
0.17591220140457153,
0.75
],
[
0.8240877985954285,
0.17591220140457153,
0.75
],
[
0.8240877985954285,
0.6481755971908569,
0.75
],
[
0.6481755971908569,
0.8240877985954285,
0.25
],
[
0.17591220140457153,
0.8240877985954285... | {
"a": 9.035161018371582,
"b": 9.035161018371582,
"c": 7.452387809753418,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Rb3Yb | hard_negative | false | null | 0 | 0.645949 | 0.645949 | true | [
"metallic"
] | null |
mp-972063 | [
"Ge",
"Yb"
] | [
70,
70,
32,
32,
32,
32,
32,
32
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.31386691331863403,
0.15693345665931702,
0.75
],
[
0.8430665135383606,
0.15693345665931702,
0.75
],
[
0.8430665135383606,
0.686133086681366,
... | {
"a": 5.8708953857421875,
"b": 5.8708953857421875,
"c": 5.187041282653809,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | YbGe3 | hard_negative | false | null | 0 | 0.191325 | -0.266024 | true | [
"metallic"
] | null |
mp-972095 | [
"Zn",
"Hg"
] | [
30,
30,
30,
30,
30,
30,
80,
80
] | 8 | 2 | [
[
0.31672000885009766,
0.15836000442504883,
0.75
],
[
0.8416399955749512,
0.15836000442504883,
0.75
],
[
0.8416399955749512,
0.6832799911499023,
0.75
],
[
0.6832799911499023,
0.8416399955749512,
0.25
],
[
0.15836000442504883,
0.8416399955749512... | {
"a": 5.878848075866699,
"b": 5.878848075866699,
"c": 4.608014106750488,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Zn3Hg | hard_negative | false | null | 0 | 0.102183 | 0.102183 | true | [
"metallic"
] | null |
mp-972099 | [
"Mg",
"Yb"
] | [
70,
70,
12,
12,
12,
12,
12,
12
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3282400667667389,
0.16412003338336945,
0.75
],
[
0.8358799815177917,
0.6717599630355835,
0.75
],
[
0.8358799815177917,
0.16412003338336945,
... | {
"a": 6.577295303344727,
"b": 6.577295303344727,
"c": 5.155642509460449,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | YbMg3 | hard_negative | false | null | 0 | 0.010675 | -0.037929 | true | [
"metallic"
] | null |
mp-972125 | [
"Li",
"Tb"
] | [
3,
3,
65,
65,
65,
65,
65,
65
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1689780056476593,
0.3379560112953186,
0.25
],
[
0.1689780056476593,
0.8310220241546631,
0.25
],
[
0.6620439887046814,
0.8310220241546631,
... | {
"a": 7.025322437286377,
"b": 7.025322437286377,
"c": 5.548000812530518,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LiTb3 | hard_negative | true | 2 | 0 | 0.19083 | 0.19083 | true | [
"li",
"metallic"
] | null |
mp-972130 | [
"Cr",
"Tl"
] | [
81,
81,
81,
81,
81,
81,
24,
24
] | 8 | 2 | [
[
0.8294860124588013,
0.6589720249176025,
0.75
],
[
0.6589720249176025,
0.8294860124588013,
0.25
],
[
0.17051400244235992,
0.8294860124588013,
0.25
],
[
0.17051400244235992,
0.34102800488471985,
0.25
],
[
0.34102800488471985,
0.1705140024423599... | {
"a": 6.704192161560059,
"b": 6.704192161560059,
"c": 5.4563422203063965,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Tl3Cr | hard_negative | false | null | 0 | 0.450161 | 0.450161 | true | [
"metallic"
] | null |
mp-972147 | [
"Zn",
"U"
] | [
92,
92,
30,
30,
30,
30,
30,
30
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3002760112285614,
0.1501380056142807,
0.75
],
[
0.8498619794845581,
0.1501380056142807,
0.75
],
[
0.8498619794845581,
0.699724018573761,
... | {
"a": 6.323706150054932,
"b": 6.323706150054932,
"c": 4.386950969696045,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | UZn3 | hard_negative | false | null | 0 | 0.202627 | 0.148289 | true | [
"metallic"
] | null |
mp-972220 | [
"Ti",
"Pt"
] | [
22,
22,
78,
78,
78,
78,
78,
78
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16720829904079437,
0.33441659808158875,
0.25
],
[
0.6655834317207336,
0.8327916860580444,
0.25
],
[
0.16720829904079437,
0.8327916860580444,... | {
"a": 5.5736799240112305,
"b": 5.5736799240112305,
"c": 4.490786552429199,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | TiPt3 | hard_negative | false | null | 0 | 0.013776 | -0.91378 | true | [
"metallic"
] | null |
mp-972249 | [
"Sr",
"Bi"
] | [
38,
38,
38,
38,
38,
38,
83,
83
] | 8 | 2 | [
[
0.34233999252319336,
0.17116999626159668,
0.75
],
[
0.8288300037384033,
0.17116999626159668,
0.75
],
[
0.8288300037384033,
0.6576600074768066,
0.75
],
[
0.6576600074768066,
0.8288300037384033,
0.25
],
[
0.17116999626159668,
0.8288300037384033... | {
"a": 7.785946369171143,
"b": 7.785946369171143,
"c": 6.296380996704102,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sr3Bi | hard_negative | false | null | 0 | 0.179664 | -0.515328 | true | [
"metallic"
] | null |
mp-972257 | [
"La",
"Tb"
] | [
57,
57,
65,
65,
65,
65,
65,
65
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.8376832604408264,
0.1623167246580124,
0.75
],
[
0.3246334493160248,
0.1623167246580124,
0.75
],
[
0.8376832604408264,
0.6753665208816528,
... | {
"a": 7.373839378356934,
"b": 7.373839378356934,
"c": 5.895430564880371,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LaTb3 | hard_negative | false | null | 0 | 0.016554 | 0.016554 | true | [
"metallic"
] | null |
mp-972286 | [
"Sr",
"Ce"
] | [
38,
38,
58,
58,
58,
58,
58,
58
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3054409921169281,
0.15272049605846405,
0.75
],
[
0.8472794890403748,
0.15272049605846405,
0.75
],
[
0.8472794890403748,
0.6945589780807495,
... | {
"a": 7.37317419052124,
"b": 7.37317419052124,
"c": 5.768571853637695,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SrCe3 | hard_negative | false | null | 0 | 0.360161 | 0.360161 | true | [
"metallic"
] | null |
mp-972310 | [
"Si",
"Tb"
] | [
65,
65,
65,
65,
65,
65,
14,
14
] | 8 | 2 | [
[
0.35510900616645813,
0.17755450308322906,
0.75
],
[
0.8224455118179321,
0.17755450308322906,
0.75
],
[
0.8224455118179321,
0.6448910236358643,
0.75
],
[
0.6448910236358643,
0.8224455118179321,
0.25
],
[
0.17755450308322906,
0.8224455118179321... | {
"a": 6.723465919494629,
"b": 6.723465919494629,
"c": 5.101079940795898,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Tb3Si | hard_negative | false | null | 0 | 0.197556 | -0.315226 | true | [
"metallic"
] | null |
mp-972318 | [
"Ti",
"Sn"
] | [
22,
22,
50,
50,
50,
50,
50,
50
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.34172698855400085,
0.17086349427700043,
0.75
],
[
0.8291364908218384,
0.17086349427700043,
0.75
],
[
0.8291364908218384,
0.6582729816436768,... | {
"a": 6.28609037399292,
"b": 6.28609037399292,
"c": 5.492630958557129,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | TiSn3 | hard_negative | false | null | 0 | 0.294677 | 0.107009 | true | [
"metallic"
] | null |
mp-972416 | [
"Tm",
"Lu"
] | [
69,
69,
69,
69,
69,
69,
71,
71
] | 8 | 2 | [
[
0.8327226638793945,
0.16727732121944427,
0.75
],
[
0.33455464243888855,
0.16727732121944427,
0.75
],
[
0.8327226638793945,
0.6654453873634338,
0.75
],
[
0.16727732121944427,
0.8327226638793945,
0.25
],
[
0.16727732121944427,
0.334554642438888... | {
"a": 7.105357646942139,
"b": 7.105357646942139,
"c": 5.476624965667725,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Tm3Lu | hard_negative | false | null | 0 | 0.014638 | 0.000981 | true | [
"metallic"
] | null |
mp-972494 | [
"Mg",
"Sm"
] | [
62,
62,
12,
12,
12,
12,
12,
12
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.16149351000785828,
0.32298702001571655,
0.25
],
[
0.16149351000785828,
0.8385065197944641,
0.25
],
[
0.6770129799842834,
0.8385065197944641,... | {
"a": 6.760440826416016,
"b": 6.760440826416016,
"c": 5.181029796600342,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SmMg3 | hard_negative | false | null | 0 | 0.030947 | -0.051761 | true | [
"metallic"
] | null |
mp-972534 | [
"Sm",
"Dy"
] | [
62,
62,
66,
66,
66,
66,
66,
66
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.8344368934631348,
0.16556312143802643,
0.75
],
[
0.33112624287605286,
0.16556312143802643,
0.75
],
[
0.8344368934631348,
0.6688737273216248,... | {
"a": 7.3338751792907715,
"b": 7.3338751792907715,
"c": 5.6165947914123535,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SmDy3 | hard_negative | false | null | 0 | 0.010718 | 0.010718 | true | [
"metallic"
] | null |
mp-972549 | [
"Sm",
"Lu"
] | [
62,
62,
71,
71,
71,
71,
71,
71
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16506826877593994,
0.3301365375518799,
0.25
],
[
0.6698634624481201,
0.8349317312240601,
0.25
],
[
0.16506826877593994,
0.8349317312240601,
... | {
"a": 7.142996788024902,
"b": 7.142996788024902,
"c": 5.529255390167236,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SmLu3 | hard_negative | false | null | 0 | 0.005403 | 0.005403 | true | [
"metallic"
] | null |
mp-972551 | [
"Nb",
"U"
] | [
92,
92,
92,
92,
92,
92,
41,
41
] | 8 | 2 | [
[
0.1771789938211441,
0.3543579876422882,
0.25
],
[
0.1771789938211441,
0.8228210210800171,
0.25
],
[
0.6456419825553894,
0.8228210210800171,
0.25
],
[
0.8228210210800171,
0.6456419825553894,
0.75
],
[
0.8228210210800171,
0.1771789938211441,
... | {
"a": 5.930717945098877,
"b": 5.930717945098877,
"c": 5.475490093231201,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | U3Nb | hard_negative | false | null | 0 | 0.341515 | 0.341515 | true | [
"metallic"
] | null |
mp-972557 | [
"Ag",
"Sm"
] | [
62,
62,
47,
47,
47,
47,
47,
47
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.15084663033485413,
0.30169326066970825,
0.25
],
[
0.6983067393302917,
0.8491533994674683,
0.25
],
[
0.15084663033485413,
0.8491533994674683,... | {
"a": 6.431618690490723,
"b": 6.431618690490723,
"c": 4.791182518005371,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SmAg3 | hard_negative | false | null | 0 | 0.056972 | -0.203213 | true | [
"metallic"
] | null |
mp-972733 | [
"B",
"Si"
] | [
14,
14,
14,
14,
14,
14,
5,
5
] | 8 | 2 | [
[
0.3382740020751953,
0.16913700103759766,
0.75
],
[
0.8308629989624023,
0.16913700103759766,
0.75
],
[
0.8308629989624023,
0.6617259979248047,
0.75
],
[
0.6617259979248047,
0.8308629989624023,
0.25
],
[
0.16913700103759766,
0.8308629989624023,... | {
"a": 5.0128254890441895,
"b": 5.0128254890441895,
"c": 4.453244209289551,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Si3B | hard_negative | false | null | 0 | 0.923309 | 0.908593 | true | [
"metallic"
] | null |
mp-972748 | [
"Si",
"W"
] | [
14,
14,
14,
14,
14,
14,
74,
74
] | 8 | 2 | [
[
0.3530609905719757,
0.17653049528598785,
0.75
],
[
0.8234695196151733,
0.17653049528598785,
0.75
],
[
0.8234695196151733,
0.6469389796257019,
0.75
],
[
0.6469389796257019,
0.8234695196151733,
0.25
],
[
0.17653049528598785,
0.8234695196151733,... | {
"a": 5.251976013183594,
"b": 5.251976013183594,
"c": 4.800384998321533,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Si3W | hard_negative | false | null | 0 | 0.71331 | 0.488393 | true | [
"metallic"
] | null |
mp-972763 | [
"Si",
"Pt"
] | [
14,
14,
14,
14,
14,
14,
78,
78
] | 8 | 2 | [
[
0.3368090093135834,
0.1684045046567917,
0.75
],
[
0.8315954804420471,
0.1684045046567917,
0.75
],
[
0.8315954804420471,
0.663191020488739,
0.75
],
[
0.663191020488739,
0.8315954804420471,
0.25
],
[
0.1684045046567917,
0.8315954804420471,
... | {
"a": 7.4789018630981445,
"b": 7.4789018630981445,
"c": 2.6918768882751465,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Si3Pt | hard_negative | false | null | 0 | 0.297365 | -0.051142 | true | [
"metallic"
] | null |
mp-972784 | [
"Si",
"Tc"
] | [
14,
14,
43,
43,
43,
43,
43,
43
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.34179800748825073,
0.17089900374412537,
0.75
],
[
0.829101026058197,
0.17089900374412537,
0.75
],
[
0.829101026058197,
0.6582019925117493,
... | {
"a": 5.410533428192139,
"b": 5.410533428192139,
"c": 4.4281182289123535,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SiTc3 | hard_negative | false | null | 0 | 0.135101 | -0.125108 | true | [
"metallic"
] | null |
mp-972794 | [
"Si",
"Sb"
] | [
14,
14,
51,
51,
51,
51,
51,
51
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.34925898909568787,
0.17462949454784393,
0.75
],
[
0.8253704905509949,
0.17462949454784393,
0.75
],
[
0.8253704905509949,
0.6507409811019897,... | {
"a": 6.4496941566467285,
"b": 6.4496941566467285,
"c": 5.562229156494141,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SiSb3 | hard_negative | false | null | 0 | 0.329002 | 0.329002 | true | [
"metallic"
] | null |
mp-972868 | [
"Si",
"Au"
] | [
14,
14,
79,
79,
79,
79,
79,
79
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.33836600184440613,
0.16918300092220306,
0.75
],
[
0.8308169841766357,
0.16918300092220306,
0.75
],
[
0.8308169841766357,
0.6616340279579163,... | {
"a": 5.836268424987793,
"b": 5.836268424987793,
"c": 4.739346027374268,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SiAu3 | hard_negative | false | null | 0 | 0.166322 | 0.166322 | true | [
"metallic"
] | null |
mp-972876 | [
"Sc",
"Cd"
] | [
21,
21,
21,
21,
21,
21,
48,
48
] | 8 | 2 | [
[
0.16965258121490479,
0.33930516242980957,
0.25
],
[
0.6606948375701904,
0.8303474187850952,
0.25
],
[
0.16965258121490479,
0.8303474187850952,
0.25
],
[
0.8303474187850952,
0.6606948375701904,
0.75
],
[
0.33930516242980957,
0.1696525812149047... | {
"a": 6.381919860839844,
"b": 6.381919860839844,
"c": 5.232254981994629,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sc3Cd | hard_negative | false | null | 0 | 0.005746 | -0.156368 | true | [
"metallic"
] | null |
mp-972889 | [
"Sc",
"Sn"
] | [
21,
21,
50,
50,
50,
50,
50,
50
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3358199894428253,
0.16790999472141266,
0.75
],
[
0.8320900201797485,
0.16790999472141266,
0.75
],
[
0.8320900201797485,
0.6641799807548523,
... | {
"a": 6.356229782104492,
"b": 6.356229782104492,
"c": 5.746459007263184,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | ScSn3 | hard_negative | false | null | 0 | 0.103299 | -0.252058 | true | [
"metallic"
] | null |
mp-972895 | [
"Sc",
"Au"
] | [
21,
21,
79,
79,
79,
79,
79,
79
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16715551912784576,
0.33431103825569153,
0.25
],
[
0.6656889319419861,
0.8328444957733154,
0.25
],
[
0.16715551912784576,
0.8328444957733154,... | {
"a": 5.918615341186523,
"b": 5.918615341186523,
"c": 4.77584981918335,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | ScAu3 | hard_negative | false | null | 0 | 0.066568 | -0.630862 | true | [
"metallic"
] | null |
mp-972941 | [
"Na",
"Bi"
] | [
11,
11,
83,
83,
83,
83,
83,
83
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.16513848304748535,
0.8348615169525146,
0.25
],
[
0.6697230339050293,
0.8348615169525146,
0.25
],
[
0.8348615169525146,
0.6697230339050293,
... | {
"a": 6.9326581954956055,
"b": 6.9326581954956055,
"c": 5.789939880371094,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | NaBi3 | hard_negative | false | null | 0 | 0.09552 | -0.095077 | true | [
"metallic"
] | null |
mp-973065 | [
"P",
"La"
] | [
57,
57,
15,
15,
15,
15,
15,
15
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.13655899465084076,
0.2731179893016815,
0.25
],
[
0.13655899465084076,
0.863440990447998,
0.25
],
[
0.7268819808959961,
0.863440990447998,
... | {
"a": 5.84547758102417,
"b": 5.84547758102417,
"c": 5.392027854919434,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LaP3 | hard_negative | false | null | 0 | 0.450142 | -0.519509 | true | [
"metallic"
] | null |
mp-973155 | [
"C",
"Ge"
] | [
32,
32,
32,
32,
32,
32,
6,
6
] | 8 | 2 | [
[
0.351624995470047,
0.1758124977350235,
0.75
],
[
0.8241875171661377,
0.1758124977350235,
0.75
],
[
0.8241875171661377,
0.6483749747276306,
0.75
],
[
0.6483749747276306,
0.8241875171661377,
0.25
],
[
0.1758124977350235,
0.8241875171661377,
... | {
"a": 5.7542901039123535,
"b": 5.7542901039123535,
"c": 4.4572930335998535,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ge3C | hard_negative | false | null | 0 | 1.386236 | 1.386236 | true | [
"metallic"
] | null |
mp-973157 | [
"P",
"Ge"
] | [
32,
32,
32,
32,
32,
32,
15,
15
] | 8 | 2 | [
[
0.16989600658416748,
0.33979201316833496,
0.25
],
[
0.16989600658416748,
0.8301039934158325,
0.25
],
[
0.660207986831665,
0.8301039934158325,
0.25
],
[
0.8301039934158325,
0.660207986831665,
0.75
],
[
0.8301039934158325,
0.16989600658416748,
... | {
"a": 5.905301570892334,
"b": 5.905301570892334,
"c": 4.85463809967041,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ge3P | hard_negative | false | null | 0 | 0.439777 | 0.434922 | true | [
"metallic"
] | null |
mp-973165 | [
"Lu",
"U"
] | [
71,
71,
71,
71,
71,
71,
92,
92
] | 8 | 2 | [
[
0.3378889858722687,
0.16894449293613434,
0.75
],
[
0.8310555219650269,
0.16894449293613434,
0.75
],
[
0.8310555219650269,
0.6621109843254089,
0.75
],
[
0.6621109843254089,
0.8310555219650269,
0.25
],
[
0.16894449293613434,
0.8310555219650269,... | {
"a": 6.8911356925964355,
"b": 6.8911356925964355,
"c": 5.5341620445251465,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Lu3U | hard_negative | false | null | 0 | 0.387502 | 0.387502 | true | [
"metallic"
] | null |
mp-973166 | [
"Na",
"Cd"
] | [
11,
11,
48,
48,
48,
48,
48,
48
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1652131825685501,
0.3304263651371002,
0.25
],
[
0.6695736646652222,
0.8347868323326111,
0.25
],
[
0.1652131825685501,
0.8347868323326111,
... | {
"a": 6.377452850341797,
"b": 6.377452850341797,
"c": 5.1076531410217285,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | NaCd3 | hard_negative | false | null | 0 | 0.002286 | -0.042663 | true | [
"metallic"
] | null |
mp-973199 | [
"Sb",
"Pb"
] | [
51,
51,
51,
51,
51,
51,
82,
82
] | 8 | 2 | [
[
0.3226960003376007,
0.16134800016880035,
0.75
],
[
0.8386520147323608,
0.16134800016880035,
0.75
],
[
0.8386520147323608,
0.6773040294647217,
0.75
],
[
0.6773040294647217,
0.8386520147323608,
0.25
],
[
0.16134800016880035,
0.8386520147323608,... | {
"a": 6.7711334228515625,
"b": 6.7711334228515625,
"c": 5.842289924621582,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sb3Pb | hard_negative | false | null | 0 | 0.211694 | 0.211694 | true | [
"metallic"
] | null |
mp-973266 | [
"Al",
"Lu"
] | [
71,
71,
71,
71,
71,
71,
13,
13
] | 8 | 2 | [
[
0.8276138305664062,
0.17238618433475494,
0.75
],
[
0.3447723686695099,
0.17238618433475494,
0.75
],
[
0.8276138305664062,
0.6552276611328125,
0.75
],
[
0.17238618433475494,
0.8276138305664062,
0.25
],
[
0.6552276611328125,
0.8276138305664062,... | {
"a": 6.6091227531433105,
"b": 6.6091227531433105,
"c": 5.2336745262146,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Lu3Al | hard_negative | false | null | 0 | 0.002838 | -0.233514 | true | [
"metallic"
] | null |
mp-973300 | [
"Ga",
"Lu"
] | [
71,
71,
71,
71,
71,
71,
31,
31
] | 8 | 2 | [
[
0.3436639904975891,
0.17183199524879456,
0.75
],
[
0.8281679749488831,
0.17183199524879456,
0.75
],
[
0.8281679749488831,
0.6563360095024109,
0.75
],
[
0.6563360095024109,
0.8281679749488831,
0.25
],
[
0.17183199524879456,
0.8281679749488831,... | {
"a": 6.606522083282471,
"b": 6.606522083282471,
"c": 5.234624862670898,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Lu3Ga | hard_negative | false | null | 0 | 0.102161 | -0.298175 | true | [
"metallic"
] | null |
mp-973316 | [
"Li",
"Na"
] | [
11,
11,
3,
3,
3,
3,
3,
3
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1598387062549591,
0.3196774125099182,
0.25
],
[
0.1598387062549591,
0.8401613235473633,
0.25
],
[
0.6803225874900818,
0.8401613235473633,
... | {
"a": 6.545174598693848,
"b": 6.545174598693848,
"c": 5.393967151641846,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | NaLi3 | hard_negative | true | 6 | 0 | 0.04066 | 0.04066 | true | [
"li",
"metallic"
] | null |
mp-973352 | [
"Na",
"Co"
] | [
11,
11,
27,
27,
27,
27,
27,
27
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.8685060143470764,
0.7370120286941528,
0.75
],
[
0.8685060143470764,
0.13149400055408478,
0.75
],
[
0.26298800110816956,
0.13149400055408478,... | {
"a": 6.010680198669434,
"b": 6.010680198669434,
"c": 4.016091823577881,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | NaCo3 | hard_negative | false | null | 0 | 0.641724 | 0.641724 | true | [
"metallic"
] | null |
mp-973415 | [
"Li",
"La"
] | [
3,
3,
57,
57,
57,
57,
57,
57
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.17504799365997314,
0.3500959873199463,
0.25
],
[
0.17504799365997314,
0.8249520063400269,
0.25
],
[
0.6499040126800537,
0.8249520063400269,
... | {
"a": 7.375290393829346,
"b": 7.375290393829346,
"c": 5.453433036804199,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LiLa3 | hard_negative | true | 2 | 0 | 0.144942 | 0.144942 | true | [
"li",
"metallic"
] | null |
mp-973457 | [
"O",
"Lu"
] | [
71,
71,
8,
8,
8,
8,
8,
8
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.35525599122047424,
0.17762799561023712,
0.75
],
[
0.8223720192909241,
0.17762799561023712,
0.75
],
[
0.8223720192909241,
0.6447439789772034,... | {
"a": 4.547718524932861,
"b": 4.547718524932861,
"c": 4.585482120513916,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LuO3 | hard_negative | false | null | 0 | 0.565603 | -2.011762 | true | [
"oxide",
"metallic"
] | null |
mp-973465 | [
"In",
"Ho"
] | [
67,
67,
67,
67,
67,
67,
49,
49
] | 8 | 2 | [
[
0.8288852572441101,
0.17111477255821228,
0.75
],
[
0.34222954511642456,
0.17111477255821228,
0.75
],
[
0.8288852572441101,
0.6577704548835754,
0.75
],
[
0.17111477255821228,
0.8288852572441101,
0.25
],
[
0.6577704548835754,
0.8288852572441101... | {
"a": 6.791078090667725,
"b": 6.791078090667725,
"c": 5.5947160720825195,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ho3In | hard_negative | false | null | 0 | 0.015653 | -0.233971 | true | [
"metallic"
] | null |
mp-973493 | [
"Li",
"Lu"
] | [
3,
3,
71,
71,
71,
71,
71,
71
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16786600649356842,
0.33573201298713684,
0.25
],
[
0.16786600649356842,
0.8321340084075928,
0.25
],
[
0.6642680168151855,
0.8321340084075928,... | {
"a": 6.839324474334717,
"b": 6.839324474334717,
"c": 5.413763046264648,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LiLu3 | hard_negative | true | 2 | 0 | 0.176164 | 0.176164 | true | [
"li",
"metallic"
] | null |
mp-973539 | [
"Al",
"Lu"
] | [
71,
71,
13,
13,
13,
13,
13,
13
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.15026219189167023,
0.30052438378334045,
0.25
],
[
0.6994756460189819,
0.849737823009491,
0.25
],
[
0.15026219189167023,
0.849737823009491,
... | {
"a": 6.090152263641357,
"b": 6.090152263641357,
"c": 4.588716983795166,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LuAl3 | hard_negative | false | null | 0 | 0.008612 | -0.428663 | true | [
"metallic"
] | null |
mp-973545 | [
"Ga",
"Te"
] | [
31,
31,
31,
31,
31,
31,
52,
52
] | 8 | 2 | [
[
0.31681299209594727,
0.15840649604797363,
0.75
],
[
0.8415935039520264,
0.15840649604797363,
0.75
],
[
0.8415935039520264,
0.6831870079040527,
0.75
],
[
0.6831870079040527,
0.8415935039520264,
0.25
],
[
0.15840649604797363,
0.8415935039520264... | {
"a": 6.394122123718262,
"b": 6.394122123718262,
"c": 5.261895179748535,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ga3Te | hard_negative | false | null | 0 | 0.207703 | -0.013794 | true | [
"metallic"
] | null |
mp-973599 | [
"As",
"Hg"
] | [
80,
80,
80,
80,
80,
80,
33,
33
] | 8 | 2 | [
[
0.33372798562049866,
0.16686399281024933,
0.75
],
[
0.8331360220909119,
0.16686399281024933,
0.75
],
[
0.8331360220909119,
0.666271984577179,
0.75
],
[
0.666271984577179,
0.8331360220909119,
0.25
],
[
0.16686399281024933,
0.8331360220909119,
... | {
"a": 6.122453689575195,
"b": 6.122453689575195,
"c": 5.983544826507568,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Hg3As | hard_negative | false | null | 0 | 0.276737 | 0.276737 | true | [
"metallic"
] | null |
mp-973615 | [
"Sb",
"Lu"
] | [
71,
71,
51,
51,
51,
51,
51,
51
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1756110042333603,
0.3512220084667206,
0.25
],
[
0.1756110042333603,
0.8243889808654785,
0.25
],
[
0.6487780213356018,
0.8243889808654785,
... | {
"a": 6.53593635559082,
"b": 6.53593635559082,
"c": 5.794730186462402,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LuSb3 | hard_negative | false | null | 0 | 0.109375 | -0.507233 | true | [
"metallic"
] | null |
mp-973626 | [
"Au",
"Hg"
] | [
80,
80,
80,
80,
80,
80,
79,
79
] | 8 | 2 | [
[
0.3348659873008728,
0.1674329936504364,
0.75
],
[
0.8325669765472412,
0.1674329936504364,
0.75
],
[
0.8325669765472412,
0.6651340126991272,
0.75
],
[
0.6651340126991272,
0.8325669765472412,
0.25
],
[
0.1674329936504364,
0.8325669765472412,
... | {
"a": 5.94765043258667,
"b": 5.94765043258667,
"c": 6.237019062042236,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Hg3Au | hard_negative | false | null | 0 | 0.116693 | 0.115799 | true | [
"metallic"
] | null |
mp-973684 | [
"Mg",
"Lu"
] | [
71,
71,
12,
12,
12,
12,
12,
12
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.16452078521251678,
0.32904157042503357,
0.25
],
[
0.16452078521251678,
0.835479199886322,
0.25
],
[
0.6709584593772888,
0.835479199886322,
... | {
"a": 6.5526299476623535,
"b": 6.5526299476623535,
"c": 5.169984817504883,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LuMg3 | hard_negative | false | null | 0 | 0.014713 | -0.000586 | true | [
"metallic"
] | null |
mp-973685 | [
"Nd",
"Ho"
] | [
60,
60,
67,
67,
67,
67,
67,
67
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16478891670703888,
0.32957783341407776,
0.25
],
[
0.8352110981941223,
0.6704221963882446,
0.75
],
[
0.32957783341407776,
0.16478891670703888... | {
"a": 7.257015705108643,
"b": 7.257015705108643,
"c": 5.798672676086426,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | NdHo3 | hard_negative | false | null | 0 | 0.003935 | 0.003935 | true | [
"metallic"
] | null |
mp-973689 | [
"Ho",
"Lu"
] | [
67,
67,
67,
67,
67,
67,
71,
71
] | 8 | 2 | [
[
0.16759157180786133,
0.33518314361572266,
0.25
],
[
0.8324084281921387,
0.16759157180786133,
0.75
],
[
0.33518314361572266,
0.16759157180786133,
0.75
],
[
0.8324084281921387,
0.6648168563842773,
0.75
],
[
0.16759157180786133,
0.83240842819213... | {
"a": 7.169111728668213,
"b": 7.169111728668213,
"c": 5.532501697540283,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ho3Lu | hard_negative | false | null | 0 | 0.002323 | 0.002323 | true | [
"metallic"
] | null |
mp-973815 | [
"Ta",
"Pa"
] | [
91,
91,
91,
91,
91,
91,
73,
73
] | 8 | 2 | [
[
0.3456859886646271,
0.17284299433231354,
0.75
],
[
0.8271570205688477,
0.17284299433231354,
0.75
],
[
0.8271570205688477,
0.6543139815330505,
0.75
],
[
0.6543139815330505,
0.8271570205688477,
0.25
],
[
0.17284299433231354,
0.8271570205688477,... | {
"a": 6.259929656982422,
"b": 6.259929656982422,
"c": 5.568225860595703,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pa3Ta | hard_negative | false | null | 0 | 0.194233 | 0.194233 | true | [
"metallic"
] | null |
mp-973866 | [
"Lu",
"Os"
] | [
71,
71,
76,
76,
76,
76,
76,
76
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.32542601227760315,
0.16271300613880157,
0.75
],
[
0.8372870087623596,
0.16271300613880157,
0.75
],
[
0.8372870087623596,
0.6745740175247192,... | {
"a": 5.726324081420898,
"b": 5.726324081420898,
"c": 4.594799041748047,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LuOs3 | hard_negative | false | null | 0 | 0.551531 | 0.259834 | true | [
"metallic"
] | null |
mp-973876 | [
"Bi",
"Pa"
] | [
91,
91,
83,
83,
83,
83,
83,
83
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1726292073726654,
0.3452584147453308,
0.25
],
[
0.6547415852546692,
0.827370822429657,
0.25
],
[
0.1726292073726654,
0.827370822429657,
... | {
"a": 6.701168537139893,
"b": 6.701168537139893,
"c": 6.078070163726807,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PaBi3 | hard_negative | false | null | 0 | 0.095749 | -0.108813 | true | [
"metallic"
] | null |
mp-973904 | [
"Cr",
"Hf"
] | [
72,
72,
72,
72,
72,
72,
72,
72,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24
] | 24 | 2 | [
[
0,
0,
0.09459119290113449
],
[
0,
0,
0.5945912003517151
],
[
0,
0,
0.9054087996482849
],
[
0,
0,
0.4054087996482849
],
[
0.3333333432674408,
0.6666666865348816,
0.8438131213188171
],
[
0.6666666865348816,
0.3333333432674408,
... | {
"a": 5.002150535583496,
"b": 5.002150535583496,
"c": 16.1920108795166,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | HfCr2 | hard_negative | false | null | 0 | 0.092996 | 0.092996 | true | [
"metallic"
] | null |
mp-973911 | [
"Re",
"Pa"
] | [
91,
91,
91,
91,
91,
91,
75,
75
] | 8 | 2 | [
[
0.35293400287628174,
0.17646700143814087,
0.75
],
[
0.8235329985618591,
0.17646700143814087,
0.75
],
[
0.8235329985618591,
0.6470659971237183,
0.75
],
[
0.6470659971237183,
0.8235329985618591,
0.25
],
[
0.17646700143814087,
0.8235329985618591... | {
"a": 6.199458122253418,
"b": 6.199458122253418,
"c": 5.40049409866333,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pa3Re | hard_negative | false | null | 0 | 0.182092 | 0.182092 | true | [
"metallic"
] | null |
mp-973963 | [
"H",
"Ni"
] | [
28,
28,
1,
1,
1,
1,
1,
1
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.41909900307655334,
0.20954950153827667,
0.75
],
[
0.7904505133628845,
0.20954950153827667,
0.75
],
[
0.7904505133628845,
0.580901026725769,
... | {
"a": 5.108108043670654,
"b": 5.108108043670654,
"c": 2.3404319286346436,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | NiH3 | hard_negative | false | null | 0 | 0.219315 | 0.213751 | true | [
"metallic"
] | null |
mp-973965 | [
"Ag",
"Nd"
] | [
60,
60,
60,
60,
60,
60,
47,
47
] | 8 | 2 | [
[
0.35027799010276794,
0.17513899505138397,
0.75
],
[
0.8248609900474548,
0.17513899505138397,
0.75
],
[
0.8248609900474548,
0.6497219800949097,
0.75
],
[
0.6497219800949097,
0.8248609900474548,
0.25
],
[
0.17513899505138397,
0.8248609900474548... | {
"a": 7.115715503692627,
"b": 7.115715503692627,
"c": 5.435673236846924,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Nd3Ag | hard_negative | false | null | 0 | 0.1455 | 0.005839 | true | [
"metallic"
] | null |
mp-973983 | [
"Ni",
"Pd"
] | [
28,
28,
46,
46,
46,
46,
46,
46
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16929499804973602,
0.33858999609947205,
0.25
],
[
0.16929499804973602,
0.8307049870491028,
0.25
],
[
0.6614099740982056,
0.8307049870491028,... | {
"a": 5.389980316162109,
"b": 5.389980316162109,
"c": 4.420514106750488,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | NiPd3 | hard_negative | false | null | 0 | 0.067701 | 0.067701 | true | [
"metallic"
] | null |
mp-974023 | [
"Cu",
"In"
] | [
49,
49,
49,
49,
49,
49,
29,
29
] | 8 | 2 | [
[
0.36099401116371155,
0.18049700558185577,
0.75
],
[
0.8195030093193054,
0.18049700558185577,
0.75
],
[
0.8195030093193054,
0.6390060186386108,
0.75
],
[
0.6390060186386108,
0.8195030093193054,
0.25
],
[
0.18049700558185577,
0.8195030093193054... | {
"a": 7.0476179122924805,
"b": 7.0476179122924805,
"c": 4.428760051727295,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | In3Cu | hard_negative | false | null | 0 | 0.178767 | 0.160142 | true | [
"metallic"
] | null |
mp-974030 | [
"Rh",
"La"
] | [
57,
57,
57,
57,
57,
57,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45
] | 24 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.04282649978995323
],
[
0.3333333432674408,
0.6666666865348816,
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],
[
0.3333333432674408,
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],
[
0.6666666865348816,
0.3333333432674408,
0.45717349648475647
... | {
"a": 5.321313381195068,
"b": 5.321313381195068,
"c": 17.715625762939453,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LaRh3 | hard_negative | false | null | 0 | 0 | -0.525843 | true | [
"metallic"
] | null |
mp-974049 | [
"Hf",
"Pt"
] | [
72,
72,
72,
72,
72,
72,
78,
78
] | 8 | 2 | [
[
0.34344398975372314,
0.17172199487686157,
0.75
],
[
0.8282780051231384,
0.17172199487686157,
0.75
],
[
0.8282780051231384,
0.6565560102462769,
0.75
],
[
0.6565560102462769,
0.8282780051231384,
0.25
],
[
0.17172199487686157,
0.8282780051231384... | {
"a": 5.988554000854492,
"b": 5.988554000854492,
"c": 5.139530181884766,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Hf3Pt | hard_negative | false | null | 0 | 0.186659 | -0.443634 | true | [
"metallic"
] | null |
mp-974313 | [
"Na",
"Mg"
] | [
11,
11,
12,
12,
12,
12,
12,
12
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.32529398798942566,
0.16264699399471283,
0.75
],
[
0.837352991104126,
0.674705982208252,
0.75
],
[
0.837352991104126,
0.16264699399471283,
... | {
"a": 6.607493877410889,
"b": 6.607493877410889,
"c": 5.375888824462891,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | NaMg3 | hard_negative | false | null | 0 | 0.117616 | 0.117616 | true | [
"metallic"
] | null |
mp-974322 | [
"Mg",
"Ho"
] | [
67,
67,
67,
67,
67,
67,
12,
12
] | 8 | 2 | [
[
0.17022685706615448,
0.34045371413230896,
0.25
],
[
0.6595463156700134,
0.8297731280326843,
0.25
],
[
0.17022685706615448,
0.8297731280326843,
0.25
],
[
0.8297731280326843,
0.17022685706615448,
0.75
],
[
0.34045371413230896,
0.170226857066154... | {
"a": 6.972890377044678,
"b": 6.972890377044678,
"c": 5.517270088195801,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ho3Mg | hard_negative | false | null | 0 | 0.053587 | 0.028138 | true | [
"metallic"
] | null |
mp-974325 | [
"Nd",
"Dy"
] | [
60,
60,
66,
66,
66,
66,
66,
66
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.8353613615036011,
0.16463863849639893,
0.75
],
[
0.32927727699279785,
0.16463863849639893,
0.75
],
[
0.8353613615036011,
0.6707227230072021,... | {
"a": 7.291853427886963,
"b": 7.291853427886963,
"c": 5.82853364944458,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | NdDy3 | hard_negative | false | null | 0 | 0.005073 | 0.005073 | true | [
"metallic"
] | null |
mp-974326 | [
"Ru",
"Os"
] | [
76,
76,
44,
44,
44,
44,
44,
44
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.8325551748275757,
0.1674448549747467,
0.75
],
[
0.3348897099494934,
0.1674448549747467,
0.75
],
[
0.8325551748275757,
0.6651102900505066,
... | {
"a": 5.430415630340576,
"b": 5.430415630340576,
"c": 4.290982246398926,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | OsRu3 | hard_negative | false | null | 0 | 0 | -0.009306 | true | [
"metallic"
] | null |
mp-974336 | [
"O",
"Ho"
] | [
67,
67,
8,
8
] | 4 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.25
],
[
0.6666666865348816,
0.3333333432674408,
0.75
]
] | {
"a": 3.9703917503356934,
"b": 3.9703917503356934,
"c": 4.8209428787231445,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | HoO | hard_negative | false | null | 0 | 0.239526 | -3.116774 | true | [
"oxide",
"metallic"
] | null |
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