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{
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{
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{
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"created_at": "2022-09-04T14:44:12.314137Z",
"structure_string": "Gd1 Cu2 Si2\n1.0\n-2.004976 2.004976 4.983372\n2.004976 -2.004976 4.983372\n2.004976 2.004976 -4.983372\nGd Cu Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.618476 0.618476 0.000000 Si\n0.381524 0.381524 0.000000 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Gd",
"Cu",
"Si"
],
"chemical_system": "Cu-Gd-Si",
"density": 7.056366647700448,
"density_atomic": 0.06239766649335943,
"volume": 80.13120170979658,
"volume_molar": 9.651227519286953,
"formula_full": "Gd1 Cu2 Si2",
"formula_reduced": "Gd(CuSi)2",
"formula_anonymous": "AB2C2",
"energy": -35.97347025,
"energy_per_atom": -7.19469405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.11547025,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9704644,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.911000Z",
"spacegroup": 139
},
{
"id": "mp-1096622",
"created_at": "2022-09-04T14:44:12.393091Z",
"structure_string": "Li2 Ca1 Al1\n1.0\n-6.164625 6.212389 8.760967\n6.164625 -6.212389 8.760967\n6.164625 6.212389 -8.760967\nLi Ca Al\n2 1 1\ndirect\n0.223687 0.000000 0.223687 Li\n0.776313 0.000000 0.776313 Li\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Al"
],
"chemical_system": "Al-Ca-Li",
"density": 0.10014821475888698,
"density_atomic": 0.0029804555573355387,
"volume": 1342.0767137946896,
"volume_molar": 202.05437202974636,
"formula_full": "Li2 Ca1 Al1",
"formula_reduced": "Li2CaAl",
"formula_anonymous": "ABC2",
"energy": -3.92750143,
"energy_per_atom": -0.9818753575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.92750143,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9997881,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.381000Z",
"spacegroup": 71
},
{
"id": "mp-1220636",
"created_at": "2022-09-04T14:44:12.645003Z",
"structure_string": "Nb3 Al2 Mo3\n1.0\n3.595821 -3.610502 0.000000\n3.595821 3.610502 0.000000\n-0.029422 0.000000 5.095565\nNb Al Mo\n3 2 3\ndirect\n0.500000 0.246250 0.753750 Nb\n0.246250 0.753750 0.500000 Nb\n0.753750 0.500000 0.246250 Nb\n0.751892 0.751892 0.751892 Al\n0.248108 0.248108 0.248108 Al\n0.000000 0.249719 0.750281 Mo\n0.249719 0.750281 0.000000 Mo\n0.750281 0.000000 0.249719 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"Al",
"Mo"
],
"chemical_system": "Al-Mo-Nb",
"density": 7.787614395573825,
"density_atomic": 0.060464712345533765,
"volume": 132.30857618709769,
"volume_molar": 9.95976086942358,
"formula_full": "Nb3 Al2 Mo3",
"formula_reduced": "Nb3Al2Mo3",
"formula_anonymous": "A2B3C3",
"energy": -72.06117606,
"energy_per_atom": -9.0076470075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.06117606,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3244129,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.956000Z",
"spacegroup": 155
}
]
}