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_512649 | [
"Cd",
"Hg",
"Np"
] | [
93,
93,
93,
93,
48,
48,
48,
48,
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": 7.157137870788574,
"b": 7.157137870788574,
"c": 7.157137870788574,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NpCdHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_512677 | [
"Ti",
"Hg",
"Tl"
] | [
22,
22,
22,
22,
81,
81,
81,
81,
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": 6.989739894866943,
"b": 6.989739894866943,
"c": 6.989739894866943,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TiTlHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD__b7F9yR1vf57CDKDx8q8qNkb-7G8 | [
"Cr",
"Ta",
"Hg"
] | [
73,
73,
73,
73,
24,
24,
24,
24,
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": 6.582115173339844,
"b": 6.582115173339844,
"c": 6.582115173339844,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TaCrHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_512709 | [
"Sc",
"Ba",
"Hg"
] | [
56,
56,
56,
56,
21,
21,
21,
21,
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": 7.642913818359375,
"b": 7.642913818359375,
"c": 7.642913818359375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaScHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_512726 | [
"Al",
"Pr",
"Hg"
] | [
59,
59,
59,
59,
13,
13,
13,
13,
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": 7.2263641357421875,
"b": 7.2263641357421875,
"c": 7.2263641357421875,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PrAlHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_512745 | [
"Ag",
"Hg",
"Tl"
] | [
81,
81,
81,
81,
47,
47,
47,
47,
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": 7.124785900115967,
"b": 7.124785900115967,
"c": 7.124785900115967,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TlAgHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_512763 | [
"Er",
"Hg",
"Np"
] | [
68,
68,
68,
68,
93,
93,
93,
93,
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": 7.414495944976807,
"b": 7.414495944976807,
"c": 7.414495944976807,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ErNpHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_512782 | [
"Mo",
"La",
"Hg"
] | [
57,
57,
57,
57,
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": 7.208631992340088,
"b": 7.208631992340088,
"c": 7.208631992340088,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LaHg2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_512796 | [
"Hg",
"U",
"Np"
] | [
93,
93,
93,
93,
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": 7.434711933135986,
"b": 7.434711933135986,
"c": 7.434711933135986,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NpUHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_512811 | [
"Os",
"Ir",
"Hg"
] | [
80,
80,
80,
80,
80,
80,
80,
80,
77,
77,
77,
77,
76,
76,
76,
76
] | 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": 6.486073970794678,
"b": 6.486073970794678,
"c": 6.486073970794678,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Hg2IrOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_512829 | [
"La",
"Ho",
"Hg"
] | [
57,
57,
57,
57,
67,
67,
67,
67,
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": 7.517665863037109,
"b": 7.517665863037109,
"c": 7.517665863037109,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LaHoHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_512844 | [
"Gd",
"Hf",
"Hg"
] | [
64,
64,
64,
64,
72,
72,
72,
72,
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": 7.161178112030029,
"b": 7.161178112030029,
"c": 7.161178112030029,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | GdHfHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_512875 | [
"Co",
"Hf",
"Hg"
] | [
72,
72,
72,
72,
27,
27,
27,
27,
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": 6.602950096130371,
"b": 6.602950096130371,
"c": 6.602950096130371,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | HfCoHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_512891 | [
"Ti",
"Ga",
"Hg"
] | [
22,
22,
22,
22,
31,
31,
31,
31,
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": 6.8441901206970215,
"b": 6.8441901206970215,
"c": 6.8441901206970215,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TiGaHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_512928 | [
"Te",
"Ta",
"Hg"
] | [
73,
73,
73,
73,
80,
80,
80,
80,
80,
80,
80,
80,
52,
52,
52,
52
] | 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": 7.130340099334717,
"b": 7.130340099334717,
"c": 7.130340099334717,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TaHg2Te | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_512940 | [
"Zr",
"Hg",
"Th"
] | [
90,
90,
90,
90,
40,
40,
40,
40,
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": 7.385673999786377,
"b": 7.385673999786377,
"c": 7.385673999786377,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ThZrHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_512957 | [
"Mo",
"Te",
"Hg"
] | [
80,
80,
80,
80,
80,
80,
80,
80,
52,
52,
52,
52,
42,
42,
42,
42
] | 16 | 3 | [
[
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
],
[
0.75,
0.25,
0.25
],
[
0.75,
0.25,
0.75
],
[
0.75,
0.75,
0.75
],
[
0,
... | {
"a": 7.025512218475342,
"b": 7.025512218475342,
"c": 7.025512218475342,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Hg2TeMo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_512970 | [
"Li",
"As",
"Hg"
] | [
3,
3,
3,
3,
80,
80,
80,
80,
80,
80,
80,
80,
33,
33,
33,
33
] | 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": 6.963076114654541,
"b": 6.963076114654541,
"c": 6.963076114654541,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LiHg2As | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_512983 | [
"Ge",
"Eu",
"Hg"
] | [
63,
63,
63,
63,
80,
80,
80,
80,
80,
80,
80,
80,
32,
32,
32,
32
] | 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": 7.270415782928467,
"b": 7.270415782928467,
"c": 7.270415782928467,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuHg2Ge | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_512995 | [
"Si",
"Dy",
"Hg"
] | [
66,
66,
66,
66,
14,
14,
14,
14,
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": 7.097097873687744,
"b": 7.097097873687744,
"c": 7.097097873687744,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | DySiHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513010 | [
"Mo",
"Tc",
"Hg"
] | [
43,
43,
43,
43,
80,
80,
80,
80,
80,
80,
80,
80,
42,
42,
42,
42
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
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[
0.5,
0,
0.5
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[
0.5,
0.5,
0
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[
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[
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[
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0.25,
0.25
],
[
0.25,
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],
[
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],
... | {
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"b": 6.5035200119018555,
"c": 6.5035200119018555,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TcHg2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513025 | [
"Mo",
"Sm",
"Hg"
] | [
62,
62,
62,
62,
80,
80,
80,
80,
80,
80,
80,
80,
42,
42,
42,
42
] | 16 | 3 | [
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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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0.25,
0.25
],
[
0.25,
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],
[
0.75,
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],
... | {
"a": 7.017615795135498,
"b": 7.017615795135498,
"c": 7.017615795135498,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SmHg2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513042 | [
"Rb",
"Cs",
"Hg"
] | [
55,
55,
55,
55,
37,
37,
37,
37,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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0,
0.5,
0
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[
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,
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[
0.5,
0.5,
0
],
[
0.75,
0.75,
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],
[
0.25,
0.75,
... | {
"a": 8.83616828918457,
"b": 8.83616828918457,
"c": 8.83616828918457,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsRbHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513063 | [
"Al",
"Sb",
"Hg"
] | [
13,
13,
13,
13,
80,
80,
80,
80,
80,
80,
80,
80,
51,
51,
51,
51
] | 16 | 3 | [
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0,
0.5,
0
],
[
0,
0,
0.5
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[
0.5,
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0.5
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[
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[
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[
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0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
... | {
"a": 7.201794147491455,
"b": 7.201794147491455,
"c": 7.201794147491455,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | AlHg2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513078 | [
"Fe",
"Te",
"Hg"
] | [
26,
26,
26,
26,
80,
80,
80,
80,
80,
80,
80,
80,
52,
52,
52,
52
] | 16 | 3 | [
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0,
0.5,
0
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[
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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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[
0.25,
0.25,
0.75
],
[
0.25,
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0.75
],
... | {
"a": 7.159336090087891,
"b": 7.159336090087891,
"c": 7.159336090087891,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | FeHg2Te | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513094 | [
"Mo",
"Hg",
"Th"
] | [
90,
90,
90,
90,
80,
80,
80,
80,
80,
80,
80,
80,
42,
42,
42,
42
] | 16 | 3 | [
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0,
0,
0
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[
0,
0.5,
0.5
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[
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0,
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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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0.25,
0.25
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[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
... | {
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"b": 7.215603828430176,
"c": 7.215603828430176,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ThHg2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513110 | [
"Mo",
"Os",
"Hg"
] | [
80,
80,
80,
80,
80,
80,
80,
80,
42,
42,
42,
42,
76,
76,
76,
76
] | 16 | 3 | [
[
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0.75,
0.25
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[
0.25,
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[
0.75,
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[
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[
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[
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],
[
0.25,
0.25,
0.25
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[
0.75,
0.25,
0.25
],
[
0,
... | {
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"b": 6.492715835571289,
"c": 6.492715835571289,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Hg2MoOs | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513141 | [
"Co",
"Hg",
"Pa"
] | [
91,
91,
91,
91,
27,
27,
27,
27,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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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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0,
0.5
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[
0,
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[
0.5,
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[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
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"b": 6.912829875946045,
"c": 6.912829875946045,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PaCoHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513157 | [
"Pd",
"Hg",
"Pa"
] | [
91,
91,
91,
91,
80,
80,
80,
80,
80,
80,
80,
80,
46,
46,
46,
46
] | 16 | 3 | [
[
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0.5,
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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[
0.25,
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0.75
],
[
0.25,
0.75,
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],
... | {
"a": 6.988554000854492,
"b": 6.988554000854492,
"c": 6.988554000854492,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PaHg2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513176 | [
"Tc",
"Pr",
"Hg"
] | [
59,
59,
59,
59,
43,
43,
43,
43,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
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[
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0.5
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[
0.5,
0,
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[
0,
0,
0
],
[
0,
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[
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[
0.5,
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0
],
[
0.75,
0.75,
0.25
],
[
0.25,
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... | {
"a": 6.214387893676758,
"b": 6.214387893676758,
"c": 6.214387893676758,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PrTcHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513191 | [
"Tc",
"La",
"Hg"
] | [
57,
57,
57,
57,
43,
43,
43,
43,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
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[
0.5,
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0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
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[
0.5,
0,
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],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.090497970581055,
"b": 7.090497970581055,
"c": 7.090497970581055,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LaTcHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513207 | [
"In",
"Cs",
"Hg"
] | [
55,
55,
55,
55,
49,
49,
49,
49,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
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[
0.5,
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0.5
],
[
0.5,
0,
0
],
[
0,
0,
0
],
[
0,
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[
0.5,
0,
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],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
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"b": 8.160087585449219,
"c": 8.160087585449219,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsInHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513228 | [
"Ir",
"Pt",
"Hg"
] | [
80,
80,
80,
80,
80,
80,
80,
80,
77,
77,
77,
77,
78,
78,
78,
78
] | 16 | 3 | [
[
0.75,
0.75,
0.25
],
[
0.25,
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[
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[
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],
[
0.25,
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[
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],
[
0.25,
0.25,
0.25
],
[
0.75,
0.25,
0.25
],
[
0,
... | {
"a": 6.521830081939697,
"b": 6.521830081939697,
"c": 6.521830081939697,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Hg2IrPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513244 | [
"V",
"Sm",
"Hg"
] | [
62,
62,
62,
62,
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
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[
0.5,
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],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.057484149932861,
"b": 7.057484149932861,
"c": 7.057484149932861,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SmVHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513259 | [
"Eu",
"Tm",
"Hg"
] | [
63,
63,
63,
63,
69,
69,
69,
69,
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,
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[
0.5,
0,
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],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.413482189178467,
"b": 7.413482189178467,
"c": 7.413482189178467,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuTmHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513273 | [
"Cs",
"Re",
"Hg"
] | [
55,
55,
55,
55,
75,
75,
75,
75,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
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[
0.5,
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0.5
],
[
0.5,
0,
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[
0,
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0
],
[
0,
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[
0.5,
0,
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],
[
0.5,
0.5,
0
],
[
0.75,
0.75,
0.25
],
[
0.25,
0.75,
... | {
"a": 7.861534118652344,
"b": 7.861534118652344,
"c": 7.861534118652344,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsReHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513310 | [
"Ca",
"Mo",
"Hg"
] | [
20,
20,
20,
20,
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,
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0.25
],
[
0.25,
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],
[
0.75,
0.25,
0.75
],
[
0.25,
0.25,
0.75
],
[
0.25,
0.75,
0.75
],
... | {
"a": 7.021180152893066,
"b": 7.021180152893066,
"c": 7.021180152893066,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaHg2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513321 | [
"Pd",
"Sn",
"Hg"
] | [
50,
50,
50,
50,
80,
80,
80,
80,
80,
80,
80,
80,
46,
46,
46,
46
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0.25,
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],
[
0.25,
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],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
... | {
"a": 6.955808162689209,
"b": 6.955808162689209,
"c": 6.955808162689209,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SnHg2Pd | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513333 | [
"Be",
"Lu",
"Hg"
] | [
71,
71,
71,
71,
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,
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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": 6.791672229766846,
"b": 6.791672229766846,
"c": 6.791672229766846,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LuBeHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513349 | [
"Zr",
"Hg",
"Bi"
] | [
40,
40,
40,
40,
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,
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],
[
0.25,
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0.75
],
[
0.25,
0.25,
0.25
],
[
0.25,
0.75,
0.25
],
[
0.75,
0.75,
0.25
],
... | {
"a": 7.294722080230713,
"b": 7.294722080230713,
"c": 7.294722080230713,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ZrHg2Bi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513365 | [
"Sr",
"Sm",
"Hg"
] | [
38,
38,
38,
38,
62,
62,
62,
62,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
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[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
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[
0.5,
0,
0
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[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
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"b": 7.653860092163086,
"c": 7.653860092163086,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrSmHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513379 | [
"Yb",
"Au",
"Hg"
] | [
70,
70,
70,
70,
80,
80,
80,
80,
80,
80,
80,
80,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
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[
0.5,
0,
0.5
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[
0.5,
0.5,
0
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[
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": 6.998228073120117,
"b": 6.998228073120117,
"c": 6.998228073120117,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YbHg2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513396 | [
"Zn",
"W",
"Hg"
] | [
30,
30,
30,
30,
80,
80,
80,
80,
80,
80,
80,
80,
74,
74,
74,
74
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
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[
0.5,
0,
0.5
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[
0.5,
0.5,
0
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[
0.25,
0.75,
0.75
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[
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": 6.7013678550720215,
"b": 6.7013678550720215,
"c": 6.7013678550720215,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ZnHg2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513410 | [
"K",
"Cd",
"Hg"
] | [
19,
19,
19,
19,
48,
48,
48,
48,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
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[
0.5,
0,
0.5
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[
0.5,
0.5,
0
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[
0,
0,
0.5
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[
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": 7.7206339836120605,
"b": 7.7206339836120605,
"c": 7.7206339836120605,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KCdHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513425 | [
"Ir",
"Hg",
"Th"
] | [
90,
90,
90,
90,
80,
80,
80,
80,
80,
80,
80,
80,
77,
77,
77,
77
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
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[
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": 7.076610088348389,
"b": 7.076610088348389,
"c": 7.076610088348389,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ThHg2Ir | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513441 | [
"Ni",
"Yb",
"Hg"
] | [
70,
70,
70,
70,
28,
28,
28,
28,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
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[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
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[
0,
0,
0.5
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[
0,
0.5,
0
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[
0.5,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
"a": 6.881661891937256,
"b": 6.881661891937256,
"c": 6.881661891937256,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YbNiHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513474 | [
"Pm",
"Hg",
"Tl"
] | [
61,
61,
61,
61,
81,
81,
81,
81,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
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[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
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[
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": 7.328455924987793,
"b": 7.328455924987793,
"c": 7.328455924987793,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PmTlHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513492 | [
"Ca",
"V",
"Hg"
] | [
20,
20,
20,
20,
23,
23,
23,
23,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
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[
0.5,
0.5,
0.5
],
[
0.5,
0,
0
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[
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": 7.0330657958984375,
"b": 7.0330657958984375,
"c": 7.0330657958984375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaVHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513510 | [
"Ba",
"Hg",
"Pu"
] | [
56,
56,
56,
56,
94,
94,
94,
94,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
0
],
[
0,
0,
0.5
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[
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": 7.943505764007568,
"b": 7.943505764007568,
"c": 7.943505764007568,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaPuHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513524 | [
"Ce",
"Pm",
"Hg"
] | [
58,
58,
58,
58,
61,
61,
61,
61,
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": 7.5754499435424805,
"b": 7.5754499435424805,
"c": 7.5754499435424805,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CePmHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513538 | [
"Be",
"Tc",
"Hg"
] | [
4,
4,
4,
4,
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": 6.4356560707092285,
"b": 6.4356560707092285,
"c": 6.4356560707092285,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BeTcHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_FIs8a__SNvzkjGEVE6GwXIij4kbQ | [
"Gd",
"Hg",
"Tl"
] | [
64,
64,
64,
64,
81,
81,
81,
81,
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": 7.278193473815918,
"b": 7.278193473815918,
"c": 7.278193473815918,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | GdTlHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513564 | [
"Ru",
"Hg",
"Pa"
] | [
91,
91,
91,
91,
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": 6.966457843780518,
"b": 6.966457843780518,
"c": 6.966457843780518,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PaHg2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513578 | [
"Cr",
"Mn",
"Hg"
] | [
25,
25,
25,
25,
24,
24,
24,
24,
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": 6.3383378982543945,
"b": 6.3383378982543945,
"c": 6.3383378982543945,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | MnCrHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513597 | [
"V",
"Sb",
"Hg"
] | [
23,
23,
23,
23,
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": 7.017630100250244,
"b": 7.017630100250244,
"c": 7.017630100250244,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | VHg2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513610 | [
"Mg",
"As",
"Hg"
] | [
12,
12,
12,
12,
80,
80,
80,
80,
80,
80,
80,
80,
33,
33,
33,
33
] | 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": 6.947078227996826,
"b": 6.947078227996826,
"c": 6.947078227996826,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | MgHg2As | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513620 | [
"Zn",
"Ba",
"Hg"
] | [
56,
56,
56,
56,
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": 7.745572090148926,
"b": 7.745572090148926,
"c": 7.745572090148926,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaZnHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513633 | [
"Pr",
"Hg",
"Bi"
] | [
59,
59,
59,
59,
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": 7.559912204742432,
"b": 7.559912204742432,
"c": 7.559912204742432,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PrHg2Bi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513647 | [
"Li",
"Ti",
"Hg"
] | [
3,
3,
3,
3,
22,
22,
22,
22,
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": 6.634367942810059,
"b": 6.634367942810059,
"c": 6.634367942810059,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LiTiHg2 | general_inorganic | true | 4 | null | null | null | null | [
"li"
] | external_cif_tar |
tar:OQMD_513659 | [
"Be",
"Sn",
"Hg"
] | [
4,
4,
4,
4,
50,
50,
50,
50,
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": 6.95075798034668,
"b": 6.95075798034668,
"c": 6.95075798034668,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BeSnHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513692 | [
"Cr",
"Lu",
"Hg"
] | [
71,
71,
71,
71,
24,
24,
24,
24,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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0,
0
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[
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[
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"b": 6.853189945220947,
"c": 6.853189945220947,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LuCrHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513710 | [
"Er",
"Hg",
"Pa"
] | [
68,
68,
68,
68,
91,
91,
91,
91,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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[
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"c": 7.424930095672607,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ErPaHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513723 | [
"Be",
"Cu",
"Hg"
] | [
4,
4,
4,
4,
29,
29,
29,
29,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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[
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[
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[
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... | {
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"c": 6.3460822105407715,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BeCuHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513742 | [
"Co",
"Zr",
"Hg"
] | [
40,
40,
40,
40,
27,
27,
27,
27,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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0,
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0
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[
0.25,
0.75,
0.75
],
[
0.25,
0.25,
... | {
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"c": 6.6522722244262695,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ZrCoHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513757 | [
"Ce",
"Ta",
"Hg"
] | [
58,
58,
58,
58,
73,
73,
73,
73,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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0
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[
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[
0.75,
0.75,
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[
0.25,
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... | {
"a": 7.198636054992676,
"b": 7.198636054992676,
"c": 7.198636054992676,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CeTaHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513772 | [
"Ca",
"Ga",
"Hg"
] | [
20,
20,
20,
20,
31,
31,
31,
31,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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0,
0.5,
0
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[
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[
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[
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0.75,
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[
0.25,
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... | {
"a": 7.243591785430908,
"b": 7.243591785430908,
"c": 7.243591785430908,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaGaHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_99sajQycLG6rFKNxFM9FR7pxSQuQ | [
"Rb",
"Nb",
"Hg"
] | [
37,
37,
37,
37,
41,
41,
41,
41,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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0,
0,
0
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[
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[
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[
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[
0.5,
0.5,
0.5
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[
0.25,
0.75,
0.75
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[
0.25,
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... | {
"a": 7.576547622680664,
"b": 7.576547622680664,
"c": 7.576547622680664,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | RbNbHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513803 | [
"Ti",
"Sb",
"Hg"
] | [
22,
22,
22,
22,
80,
80,
80,
80,
80,
80,
80,
80,
51,
51,
51,
51
] | 16 | 3 | [
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0,
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0
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[
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[
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... | {
"a": 7.064854145050049,
"b": 7.064854145050049,
"c": 7.064854145050049,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TiHg2Sb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513817 | [
"Sc",
"In",
"Hg"
] | [
21,
21,
21,
21,
49,
49,
49,
49,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0,
0
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[
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[
0.25,
0.75,
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[
0.25,
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... | {
"a": 7.01540994644165,
"b": 7.01540994644165,
"c": 7.01540994644165,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ScInHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513829 | [
"Zr",
"W",
"Hg"
] | [
40,
40,
40,
40,
80,
80,
80,
80,
80,
80,
80,
80,
74,
74,
74,
74
] | 16 | 3 | [
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0,
0,
0
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[
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0.25
],
[
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... | {
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"c": 6.761094093322754,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ZrHg2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513843 | [
"Te",
"Eu",
"Hg"
] | [
63,
63,
63,
63,
80,
80,
80,
80,
80,
80,
80,
80,
52,
52,
52,
52
] | 16 | 3 | [
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0,
0.5,
0
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[
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[
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... | {
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"c": 7.5647101402282715,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | EuHg2Te | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_4GbFWvZORLdWgPz4F0ZvTRpElCt3 | [
"Si",
"Hg",
"Pa"
] | [
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91,
91,
91,
14,
14,
14,
14,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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[
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[
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[
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[
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... | {
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"c": 6.931149482727051,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PaSiHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513872 | [
"Sn",
"Hg",
"Pb"
] | [
50,
50,
50,
50,
80,
80,
80,
80,
80,
80,
80,
80,
82,
82,
82,
82
] | 16 | 3 | [
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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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... | {
"a": 7.363431930541992,
"b": 7.363431930541992,
"c": 7.363431930541992,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SnHg2Pb | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513890 | [
"Nd",
"Hg",
"Pa"
] | [
60,
60,
60,
60,
91,
91,
91,
91,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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0,
0.5,
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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[
0.75,
0.75,
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[
0.25,
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... | {
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"c": 7.562049865722656,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NdPaHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513907 | [
"Na",
"Ca",
"Hg"
] | [
11,
11,
11,
11,
20,
20,
20,
20,
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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[
0.25,
0.75,
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[
0.25,
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... | {
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"c": 7.463912010192871,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NaCaHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513921 | [
"Al",
"Y",
"Hg"
] | [
39,
39,
39,
39,
13,
13,
13,
13,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
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,
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[
0.25,
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... | {
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"c": 7.071869850158691,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | YAlHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513938 | [
"Sn",
"Nd",
"Hg"
] | [
60,
60,
60,
60,
50,
50,
50,
50,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
0.5,
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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[
0,
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[
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[
0.5,
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[
0.75,
0.75,
0.25
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[
0.25,
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... | {
"a": 7.378806114196777,
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"c": 7.378806114196777,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NdSnHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513955 | [
"Cs",
"Yb",
"Hg"
] | [
55,
55,
55,
55,
70,
70,
70,
70,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
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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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[
0.75,
0.75,
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[
0.25,
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... | {
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"b": 8.211024284362793,
"c": 8.211024284362793,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CsYbHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513969 | [
"Tc",
"Hg",
"Bi"
] | [
43,
43,
43,
43,
80,
80,
80,
80,
80,
80,
80,
80,
83,
83,
83,
83
] | 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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[
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],
[
0.75,
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],
... | {
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"b": 7.023645877838135,
"c": 7.023645877838135,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TcHg2Bi | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_513985 | [
"Si",
"Mo",
"Hg"
] | [
14,
14,
14,
14,
80,
80,
80,
80,
80,
80,
80,
80,
42,
42,
42,
42
] | 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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[
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],
[
0.75,
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],
... | {
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"b": 6.789576053619385,
"c": 6.789576053619385,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SiHg2Mo | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514000 | [
"Na",
"Re",
"Hg"
] | [
11,
11,
11,
11,
75,
75,
75,
75,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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"alpha": 90,
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} | 225 | NaReHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514033 | [
"V",
"Hf",
"Hg"
] | [
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72,
72,
72,
23,
23,
23,
23,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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"alpha": 90,
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"gamma": 90
} | 225 | HfVHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514044 | [
"Mg",
"Co",
"Hg"
] | [
12,
12,
12,
12,
27,
27,
27,
27,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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[
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"a": 6.551598072052002,
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"c": 6.551598072052002,
"alpha": 90,
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"gamma": 90
} | 225 | MgCoHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514058 | [
"Si",
"Ag",
"Hg"
] | [
14,
14,
14,
14,
47,
47,
47,
47,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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[
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"c": 6.837553977966309,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SiAgHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514073 | [
"Nb",
"Ru",
"Hg"
] | [
41,
41,
41,
41,
80,
80,
80,
80,
80,
80,
80,
80,
44,
44,
44,
44
] | 16 | 3 | [
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... | {
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"c": 6.563796043395996,
"alpha": 90,
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"gamma": 90
} | 225 | NbHg2Ru | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514086 | [
"Fe",
"W",
"Hg"
] | [
26,
26,
26,
26,
80,
80,
80,
80,
80,
80,
80,
80,
74,
74,
74,
74
] | 16 | 3 | [
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... | {
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"c": 6.453301906585693,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | FeHg2W | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514098 | [
"Si",
"Nb",
"Hg"
] | [
41,
41,
41,
41,
14,
14,
14,
14,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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[
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... | {
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"b": 6.84096622467041,
"c": 6.84096622467041,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NbSiHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514111 | [
"Nb",
"Os",
"Hg"
] | [
41,
41,
41,
41,
80,
80,
80,
80,
80,
80,
80,
80,
76,
76,
76,
76
] | 16 | 3 | [
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[
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... | {
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"c": 6.557866096496582,
"alpha": 90,
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"gamma": 90
} | 225 | NbHg2Os | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_S9rgJh37DfGZzUd9rJdja5uV5Yrg | [
"Ba",
"Dy",
"Hg"
] | [
56,
56,
56,
56,
66,
66,
66,
66,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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... | {
"a": 7.810505390167236,
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"c": 7.810505390167236,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | BaDyHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514147 | [
"As",
"Pt",
"Hg"
] | [
80,
80,
80,
80,
80,
80,
80,
80,
33,
33,
33,
33,
78,
78,
78,
78
] | 16 | 3 | [
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[
0.75,
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[
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... | {
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"b": 6.728938102722168,
"c": 6.728938102722168,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | Hg2AsPt | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_ev_DtME4hc4lFReg0NBMyp-zYJAV | [
"Ca",
"Fe",
"Hg"
] | [
20,
20,
20,
20,
26,
26,
26,
26,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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[
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... | {
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"c": 6.912967205047607,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | CaFeHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514196 | [
"Si",
"Lu",
"Hg"
] | [
71,
71,
71,
71,
14,
14,
14,
14,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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[
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... | {
"a": 7.037936210632324,
"b": 7.037936210632324,
"c": 7.037936210632324,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | LuSiHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514212 | [
"Al",
"Sc",
"Hg"
] | [
21,
21,
21,
21,
13,
13,
13,
13,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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0,
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0.25,
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[
0.25,
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... | {
"a": 6.837212085723877,
"b": 6.837212085723877,
"c": 6.837212085723877,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ScAlHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514230 | [
"K",
"Ge",
"Hg"
] | [
19,
19,
19,
19,
80,
80,
80,
80,
80,
80,
80,
80,
32,
32,
32,
32
] | 16 | 3 | [
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0,
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[
0.25,
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[
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... | {
"a": 7.512028217315674,
"b": 7.512028217315674,
"c": 7.512028217315674,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | KHg2Ge | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_bcbSBCo96pnYi32OBDYisZKoTYbF | [
"Nb",
"Pm",
"Hg"
] | [
61,
61,
61,
61,
41,
41,
41,
41,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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0.25,
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[
0.25,
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... | {
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"c": 7.121674060821533,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | PmNbHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514272 | [
"Eu",
"Tb",
"Hg"
] | [
65,
65,
65,
65,
63,
63,
63,
63,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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0.25,
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[
0.25,
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... | {
"a": 7.478812217712402,
"b": 7.478812217712402,
"c": 7.478812217712402,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | TbEuHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514287 | [
"Cr",
"Zr",
"Hg"
] | [
40,
40,
40,
40,
24,
24,
24,
24,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
[
0,
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0
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[
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0.25,
0.75,
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[
0.25,
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... | {
"a": 6.738766193389893,
"b": 6.738766193389893,
"c": 6.738766193389893,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | ZrCrHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514303 | [
"Si",
"Au",
"Hg"
] | [
14,
14,
14,
14,
80,
80,
80,
80,
80,
80,
80,
80,
79,
79,
79,
79
] | 16 | 3 | [
[
0,
0,
0
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[
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[
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... | {
"a": 6.874983787536621,
"b": 6.874983787536621,
"c": 6.874983787536621,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SiHg2Au | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:NOMAD_kCFhiLl4z5i1ZrFtwOY5Jb4YCst8 | [
"Co",
"Sr",
"Hg"
] | [
38,
38,
38,
38,
27,
27,
27,
27,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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[
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... | {
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"c": 7.26810359954834,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | SrCoHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
tar:OQMD_514343 | [
"Nd",
"Er",
"Hg"
] | [
60,
60,
60,
60,
68,
68,
68,
68,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 3 | [
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0,
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[
0.25,
0.25,
... | {
"a": 7.430972099304199,
"b": 7.430972099304199,
"c": 7.430972099304199,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 225 | NdErHg2 | general_inorganic | false | null | null | null | null | null | null | external_cif_tar |
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