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{
"id": "mp-973415",
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{
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{
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{
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{
"id": "mp-1095697",
"created_at": "2022-09-04T14:40:05.797419Z",
"structure_string": "La4 Mg8\n1.0\n3.139552 -5.437864 0.000000\n3.139552 5.437864 0.000000\n0.000000 0.000000 9.875308\nLa Mg\n4 8\ndirect\n0.333333 0.666667 0.418828 La\n0.666667 0.333333 0.581172 La\n0.666667 0.333333 0.918828 La\n0.333333 0.666667 0.081172 La\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.830444 0.169556 0.250000 Mg\n0.830444 0.660887 0.250000 Mg\n0.339113 0.169556 0.250000 Mg\n0.169556 0.830444 0.750000 Mg\n0.169556 0.339113 0.750000 Mg\n0.660887 0.830444 0.750000 Mg\n",
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{
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"structure_string": "Ba6 Tm2 Ru4 O18\n1.0\n2.965538 -5.136463 0.000000\n2.965538 5.136463 0.000000\n0.000000 0.000000 14.549956\nBa Tm Ru O\n6 2 4 18\ndirect\n0.333333 0.666667 0.092910 Ba\n0.666667 0.333333 0.907090 Ba\n0.666667 0.333333 0.592910 Ba\n0.333333 0.666667 0.407090 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.333333 0.666667 0.663450 Ru\n0.666667 0.333333 0.336550 Ru\n0.666667 0.333333 0.163450 Ru\n0.333333 0.666667 0.836550 Ru\n0.510309 0.020618 0.250000 O\n0.489691 0.979382 0.750000 O\n0.979382 0.489691 0.250000 O\n0.020618 0.510309 0.750000 O\n0.510309 0.489691 0.250000 O\n0.489691 0.510309 0.750000 O\n0.174629 0.349258 0.587026 O\n0.825371 0.650742 0.412974 O\n0.650742 0.825371 0.587026 O\n0.825371 0.650742 0.087026 O\n0.349258 0.174629 0.412974 O\n0.174629 0.349258 0.912974 O\n0.174629 0.825371 0.587026 O\n0.349258 0.174629 0.087026 O\n0.825371 0.174629 0.412974 O\n0.650742 0.825371 0.912974 O\n0.825371 0.174629 0.087026 O\n0.174629 0.825371 0.912974 O\n",
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{
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{
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{
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"density": 5.062612301414503,
"density_atomic": 0.04458823627057875,
"volume": 179.41952113676106,
"volume_molar": 13.50612014221713,
"formula_full": "Mg6 Hg2",
"formula_reduced": "Mg3Hg",
"formula_anonymous": "AB3",
"energy": -11.11212908,
"energy_per_atom": -1.389016135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.11212908,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0096036,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.295000Z",
"spacegroup": 194
}
]
}