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"structure_string": "Tm4 Zn34\n1.0\n9.009467 0.000000 0.000000\n-4.504734 7.802427 0.000000\n0.000000 0.000000 8.691299\nTm Zn\n4 34\ndirect\n0.000000 0.000000 0.250000 Tm\n0.000000 0.000000 0.750000 Tm\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.333333 0.666667 0.403016 Zn\n0.666667 0.333333 0.596984 Zn\n0.666667 0.333333 0.903016 Zn\n0.333333 0.666667 0.096984 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.329389 0.360368 0.250000 Zn\n0.639632 0.969021 0.250000 Zn\n0.030979 0.670611 0.250000 Zn\n0.639632 0.670611 0.250000 Zn\n0.030979 0.360368 0.250000 Zn\n0.329389 0.969021 0.250000 Zn\n0.670611 0.639632 0.750000 Zn\n0.360368 0.030979 0.750000 Zn\n0.969021 0.329389 0.750000 Zn\n0.360368 0.329389 0.750000 Zn\n0.969021 0.639632 0.750000 Zn\n0.670611 0.030979 0.750000 Zn\n0.161488 0.838512 0.516801 Zn\n0.161488 0.322977 0.516801 Zn\n0.677023 0.838512 0.516801 Zn\n0.838512 0.161488 0.483199 Zn\n0.838512 0.677023 0.483199 Zn\n0.322977 0.161488 0.483199 Zn\n0.838512 0.161488 0.016801 Zn\n0.838512 0.677023 0.016801 Zn\n0.322977 0.161488 0.016801 Zn\n0.161488 0.838512 0.983199 Zn\n0.161488 0.322977 0.983199 Zn\n0.677023 0.838512 0.983199 Zn\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Tm",
"Zn"
],
"chemical_system": "Tm-Zn",
"density": 7.8809777454679635,
"density_atomic": 0.06219709384585443,
"volume": 610.9610216544351,
"volume_molar": 9.682350713885304,
"formula_full": "Tm4 Zn34",
"formula_reduced": "Tm2Zn17",
"formula_anonymous": "A2B17",
"energy": -69.03486271,
"energy_per_atom": -1.8167069134210525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.03486271,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0774259,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:42.201000Z",
"spacegroup": 194
},
{
"id": "mp-972794",
"created_at": "2022-09-04T14:46:29.082123Z",
"structure_string": "Si2 Sb6\n1.0\n3.224847 -5.585599 0.000000\n3.224847 5.585599 0.000000\n0.000000 0.000000 5.562229\nSi Sb\n2 6\ndirect\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.174630 0.349260 0.250000 Sb\n0.650740 0.825370 0.250000 Sb\n0.174630 0.825370 0.250000 Sb\n0.825370 0.650740 0.750000 Sb\n0.349260 0.174630 0.750000 Sb\n0.825370 0.174630 0.750000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Sb"
],
"chemical_system": "Sb-Si",
"density": 6.519550167694571,
"density_atomic": 0.03992383553240566,
"volume": 200.38154884959647,
"volume_molar": 15.084073660988574,
"formula_full": "Si2 Sb6",
"formula_reduced": "SiSb3",
"formula_anonymous": "AB3",
"energy": -32.99263139,
"energy_per_atom": -4.12407892375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.84063139,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0126787,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.710000Z",
"spacegroup": 194
}
]
}