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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
tar:OQMD_514355 | [
"Hg",
"Ac",
"U"
] | [
89,
89,
89,
89,
92,
92,
92,
92,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
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,
... | {
"a": 7.7551960945129395,
"b": 7.7551960945129395,
"c": 7.7551960945129395,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcUHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514369 | [
"V",
"Nb",
"Hg"
] | [
41,
41,
41,
41,
23,
23,
23,
23,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
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,
... | {
"a": 6.636392116546631,
"b": 6.636392116546631,
"c": 6.636392116546631,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NbVHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514382 | [
"V",
"La",
"Hg"
] | [
57,
57,
57,
57,
23,
23,
23,
23,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
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,
... | {
"a": 7.206902027130127,
"b": 7.206902027130127,
"c": 7.206902027130127,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LaVHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514400 | [
"Rh",
"Hg",
"Bi"
] | [
80,
80,
80,
80,
80,
80,
80,
80,
83,
83,
83,
83,
45,
45,
45,
45
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
... | {
"a": 7.011045932769775,
"b": 7.011045932769775,
"c": 7.011045932769775,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Hg2BiRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514417 | [
"Al",
"Mo",
"Hg"
] | [
13,
13,
13,
13,
80,
80,
80,
80,
80,
80,
80,
80,
42,
42,
42,
42
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
... | {
"a": 6.641503810882568,
"b": 6.641503810882568,
"c": 6.641503810882568,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AlHg2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514436 | [
"Gd",
"W",
"Hg"
] | [
64,
64,
64,
64,
80,
80,
80,
80,
80,
80,
80,
80,
74,
74,
74,
74
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
... | {
"a": 6.975696086883545,
"b": 6.975696086883545,
"c": 6.975696086883545,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | GdHg2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514453 | [
"Sc",
"Tc",
"Hg"
] | [
21,
21,
21,
21,
43,
43,
43,
43,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
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,
... | {
"a": 6.675000190734863,
"b": 6.675000190734863,
"c": 6.675000190734863,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ScTcHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514468 | [
"Sc",
"Mo",
"Hg"
] | [
21,
21,
21,
21,
80,
80,
80,
80,
80,
80,
80,
80,
42,
42,
42,
42
] | 16 | 3 | [
[
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
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
... | {
"a": 6.73689603805542,
"b": 6.73689603805542,
"c": 6.73689603805542,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ScHg2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514484 | [
"Pr",
"Ta",
"Hg"
] | [
59,
59,
59,
59,
73,
73,
73,
73,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
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,
... | {
"a": 7.165247917175293,
"b": 7.165247917175293,
"c": 7.165247917175293,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PrTaHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514499 | [
"Zr",
"Sb",
"Hg"
] | [
40,
40,
40,
40,
80,
80,
80,
80,
80,
80,
80,
80,
51,
51,
51,
51
] | 16 | 3 | [
[
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
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
... | {
"a": 7.1800217628479,
"b": 7.1800217628479,
"c": 7.1800217628479,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ZrHg2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514515 | [
"Zn",
"Yb",
"Hg"
] | [
70,
70,
70,
70,
30,
30,
30,
30,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
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,
... | {
"a": 7.089784145355225,
"b": 7.089784145355225,
"c": 7.089784145355225,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YbZnHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514532 | [
"V",
"Hg",
"Bi"
] | [
23,
23,
23,
23,
80,
80,
80,
80,
80,
80,
80,
80,
83,
83,
83,
83
] | 16 | 3 | [
[
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
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
... | {
"a": 7.151224136352539,
"b": 7.151224136352539,
"c": 7.151224136352539,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | VHg2Bi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514551 | [
"Na",
"Hg",
"Pa"
] | [
11,
11,
11,
11,
91,
91,
91,
91,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
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,
... | {
"a": 7.316569805145264,
"b": 7.316569805145264,
"c": 7.316569805145264,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaPaHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514565 | [
"Rh",
"Os",
"Hg"
] | [
80,
80,
80,
80,
80,
80,
80,
80,
76,
76,
76,
76,
45,
45,
45,
45
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
... | {
"a": 6.4628400802612305,
"b": 6.4628400802612305,
"c": 6.4628400802612305,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Hg2OsRh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514583 | [
"Be",
"Eu",
"Hg"
] | [
63,
63,
63,
63,
4,
4,
4,
4,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 7.023054122924805,
"b": 7.023054122924805,
"c": 7.023054122924805,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuBeHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514600 | [
"Ho",
"Hg",
"Ac"
] | [
89,
89,
89,
89,
67,
67,
67,
67,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
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,
... | {
"a": 7.644167900085449,
"b": 7.644167900085449,
"c": 7.644167900085449,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AcHoHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514615 | [
"Ru",
"Dy",
"Hg"
] | [
66,
66,
66,
66,
80,
80,
80,
80,
80,
80,
80,
80,
44,
44,
44,
44
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
... | {
"a": 6.8585920333862305,
"b": 6.8585920333862305,
"c": 6.8585920333862305,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | DyHg2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514632 | [
"Rh",
"Hg",
"Tl"
] | [
81,
81,
81,
81,
80,
80,
80,
80,
80,
80,
80,
80,
45,
45,
45,
45
] | 16 | 3 | [
[
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
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
... | {
"a": 6.859747886657715,
"b": 6.859747886657715,
"c": 6.859747886657715,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TlHg2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514646 | [
"K",
"Tc",
"Hg"
] | [
19,
19,
19,
19,
43,
43,
43,
43,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
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,
... | {
"a": 7.376187801361084,
"b": 7.376187801361084,
"c": 7.376187801361084,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KTcHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514661 | [
"Na",
"Hg",
"Pu"
] | [
11,
11,
11,
11,
94,
94,
94,
94,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
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0.25
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[
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... | {
"a": 7.390091896057129,
"b": 7.390091896057129,
"c": 7.390091896057129,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaPuHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514679 | [
"V",
"Er",
"Hg"
] | [
68,
68,
68,
68,
23,
23,
23,
23,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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0
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[
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[
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[
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"c": 6.924588203430176,
"alpha": 90,
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"gamma": 90
} | 225 | ErVHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514694 | [
"K",
"Ho",
"Hg"
] | [
19,
19,
19,
19,
67,
67,
67,
67,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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0,
0
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[
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[
0.25,
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... | {
"a": 7.728164196014404,
"b": 7.728164196014404,
"c": 7.728164196014404,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KHoHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_AjHEyv-2uiQvLra1-rg41dwVnfn3 | [
"K",
"Os",
"Hg"
] | [
19,
19,
19,
19,
80,
80,
80,
80,
80,
80,
80,
80,
76,
76,
76,
76
] | 16 | 3 | [
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... | {
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"c": 7.10964822769165,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KHg2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514728 | [
"Ni",
"Sr",
"Hg"
] | [
38,
38,
38,
38,
28,
28,
28,
28,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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[
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0.25,
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"c": 7.228414058685303,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrNiHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514741 | [
"Rb",
"Ir",
"Hg"
] | [
37,
37,
37,
37,
80,
80,
80,
80,
80,
80,
80,
80,
77,
77,
77,
77
] | 16 | 3 | [
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0,
0,
0
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[
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... | {
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"c": 7.304083824157715,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbHg2Ir | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514755 | [
"Sc",
"Gd",
"Hg"
] | [
64,
64,
64,
64,
21,
21,
21,
21,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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[
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[
0.25,
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... | {
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"b": 7.182908058166504,
"c": 7.182908058166504,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | GdScHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514771 | [
"Mg",
"Rh",
"Hg"
] | [
12,
12,
12,
12,
80,
80,
80,
80,
80,
80,
80,
80,
45,
45,
45,
45
] | 16 | 3 | [
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[
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[
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... | {
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"b": 6.5825700759887695,
"c": 6.5825700759887695,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | MgHg2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514786 | [
"B",
"Ba",
"Hg"
] | [
56,
56,
56,
56,
80,
80,
80,
80,
80,
80,
80,
80,
5,
5,
5,
5
] | 16 | 3 | [
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0
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[
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[
0.25,
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[
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... | {
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"b": 7.532266139984131,
"c": 7.532266139984131,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaHg2B | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514798 | [
"Zr",
"Pr",
"Hg"
] | [
59,
59,
59,
59,
40,
40,
40,
40,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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0.5,
0
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[
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[
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[
0.25,
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... | {
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"b": 7.298054218292236,
"c": 7.298054218292236,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PrZrHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514830 | [
"Rh",
"Cd",
"Hg"
] | [
48,
48,
48,
48,
80,
80,
80,
80,
80,
80,
80,
80,
45,
45,
45,
45
] | 16 | 3 | [
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[
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[
0.25,
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... | {
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"b": 6.730882167816162,
"c": 6.730882167816162,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CdHg2Rh | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514842 | [
"Mo",
"In",
"Hg"
] | [
49,
49,
49,
49,
80,
80,
80,
80,
80,
80,
80,
80,
42,
42,
42,
42
] | 16 | 3 | [
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[
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[
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... | {
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"c": 6.894075870513916,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | InHg2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514862 | [
"Dy",
"W",
"Hg"
] | [
66,
66,
66,
66,
80,
80,
80,
80,
80,
80,
80,
80,
74,
74,
74,
74
] | 16 | 3 | [
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0,
0.5,
0
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[
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[
0.25,
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[
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... | {
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"c": 6.9382100105285645,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | DyHg2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514873 | [
"Mn",
"Sr",
"Hg"
] | [
38,
38,
38,
38,
25,
25,
25,
25,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0,
0
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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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[
0.5,
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0.5
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[
0.25,
0.75,
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],
[
0.25,
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... | {
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"b": 7.384255886077881,
"c": 7.384255886077881,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrMnHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514888 | [
"Nb",
"Nd",
"Hg"
] | [
60,
60,
60,
60,
41,
41,
41,
41,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
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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[
0.5,
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0.5
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[
0.25,
0.75,
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[
0.25,
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... | {
"a": 7.153140068054199,
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"c": 7.153140068054199,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NdNbHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514905 | [
"Sr",
"Ru",
"Hg"
] | [
38,
38,
38,
38,
80,
80,
80,
80,
80,
80,
80,
80,
44,
44,
44,
44
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
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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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... | {
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"c": 7.118686199188232,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrHg2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514922 | [
"Si",
"Sm",
"Hg"
] | [
62,
62,
62,
62,
14,
14,
14,
14,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
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0
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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,
0.75,
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],
[
0.25,
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... | {
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"c": 7.179245948791504,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SmSiHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514940 | [
"Cu",
"Hg",
"Pu"
] | [
94,
94,
94,
94,
29,
29,
29,
29,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
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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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[
0.25,
0.75,
0.75
],
[
0.25,
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... | {
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"b": 7.104358196258545,
"c": 7.104358196258545,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PuCuHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514957 | [
"Lu",
"Ta",
"Hg"
] | [
71,
71,
71,
71,
73,
73,
73,
73,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
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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[
0.5,
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],
[
0.75,
0.75,
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],
[
0.25,
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... | {
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"c": 6.9445600509643555,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LuTaHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514971 | [
"Re",
"Hg",
"Np"
] | [
93,
93,
93,
93,
75,
75,
75,
75,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
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0
],
[
0,
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[
0.5,
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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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[
0.5,
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],
[
0.75,
0.75,
0.25
],
[
0.25,
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... | {
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"c": 6.872779846191406,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NpReHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514988 | [
"Cu",
"Hg",
"Np"
] | [
93,
93,
93,
93,
29,
29,
29,
29,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
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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],
[
0.25,
0.75,
0.75
],
[
0.25,
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tar:OQMD_515004 | [
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tar:OQMD_515023 | [
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tar:OQMD_515042 | [
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tar:NOMAD_t8g_u7oITnnZHsF06reYpdcsVWgQ | [
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tar:NOMAD_uspemc8zIToJNzTnbkUcJdgusOH1 | [
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tar:NOMAD_kopP-_O-sVSk8BtfMcpgLChQ-06G | [
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tar:OQMD_515136 | [
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tar:OQMD_515152 | [
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tar:NOMAD_4oMCj1Mcgt9nZnWghyepom1IB7eh | [
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} | 225 | KPtAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515184 | [
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tar:NOMAD_S7R0Nbaeo69tvdxYDddINl08AZvV | [
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} | 225 | CeNiAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515211 | [
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} | 225 | LuMnAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_gEuwwRQXneLoc44XSkYovv5H6pLV | [
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} | 225 | BaGdAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515239 | [
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} | 225 | NaTbAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515255 | [
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} | 225 | YbErAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515270 | [
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} | 225 | BeZnAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_Ro8Q5ciA-FvBbTodig1o4W8KQRv1 | [
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} | 225 | YbTiAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515336 | [
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} | 225 | LaMoAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515350 | [
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} | 225 | NaAgAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_mP5U7W3WP_7wYd2R4OOTDnej-6e- | [
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} | 225 | DyGaAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515393 | [
"Cr",
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} | 225 | CrReAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515409 | [
"Rh",
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} | 225 | PdRhAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515426 | [
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} | 225 | HfCoAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515441 | [
"Ti",
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} | 225 | TiGaAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515462 | [
"Li",
"Pt",
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78,
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79,
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} | 225 | LiPtAu2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_515480 | [
"Mn",
"Au",
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82,
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} | 225 | MnPbAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515498 | [
"Cu",
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} | 225 | SrCuAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515516 | [
"Ni",
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} | 225 | ZnNiAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515545 | [
"Rh",
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"Au"
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} | 225 | HfRhAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515561 | [
"Mo",
"Tc",
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79,
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} | 225 | TcMoAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515587 | [
"Be",
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80,
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} | 225 | BeHgAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515600 | [
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} | 225 | UPbAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_nRYu4pslnX5Ya7ihTB66LWKJBpdx | [
"Zr",
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} | 225 | ZrNpAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515647 | [
"Pd",
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] | [
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} | 225 | TlPdAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515665 | [
"V",
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80,
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79,
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} | 225 | VHgAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515681 | [
"V",
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} | 225 | PaVAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515696 | [
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51,
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} | 225 | NdSbAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_vUzaVyte0PKNcKGZlGCpmRqcYoA7 | [
"Ir",
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79,
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] | 16 | 3 | [
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} | 225 | PaIrAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_H3LjFAFRo51MVOhNYHgrRt_53TMB | [
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} | 225 | AcRuAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_515741 | [
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] | [
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] | 16 | 3 | [
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tar:NOMAD_4SlaMIxkuTOkVXv6n5T8VMAcnqWk | [
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tar:NOMAD_wQnfxuWxHxMOwHFwkpFfuS-PX44a | [
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tar:NOMAD_e6GFOZbh7Ho_PV1RN_snr9GRMw4m | [
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tar:NOMAD_1IGduL8DIJOCcP8WhF3cvzFXm6Lq | [
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tar:NOMAD_1OOfO0aP-uXOXw0oa0msH-Gl06jI | [
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tar:OQMD_515862 | [
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tar:NOMAD_ZD9mQVwApR_SGPMM8rOeGrCa45jY | [
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tar:NOMAD_oh5G6QR6MWmG3-dEsjadYxf4l4JX | [
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tar:OQMD_515937 | [
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tar:OQMD_515951 | [
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tar:OQMD_515968 | [
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tar:OQMD_515984 | [
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tar:NOMAD_Oj1xxfuw3JrF5JqcyZ3dfU4CbpXD | [
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} | 225 | SmEuAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516027 | [
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} | 225 | BiMoAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516041 | [
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tar:OQMD_516055 | [
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} | 225 | LaBAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516068 | [
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} | 225 | ZnCrAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516081 | [
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} | 225 | ErGeAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516108 | [
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} | 225 | GdTaAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_516138 | [
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] | [
23,
23,
23,
23,
51,
51,
51,
51,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.665609836578369,
"b": 6.665609836578369,
"c": 6.665609836578369,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | VSbAu2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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