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"structure_string": "Al6 Co2 W18 C6\n1.0\n3.973685 -6.882624 0.000000\n3.973685 6.882624 0.000000\n0.000000 0.000000 7.854138\nAl Co W C\n6 2 18 6\ndirect\n0.110296 0.889704 0.250000 Al\n0.110296 0.220591 0.250000 Al\n0.779409 0.889704 0.250000 Al\n0.889704 0.110296 0.750000 Al\n0.889704 0.779409 0.750000 Al\n0.220591 0.110296 0.750000 Al\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.796790 0.203210 0.428773 W\n0.796790 0.593580 0.428773 W\n0.406420 0.203210 0.428773 W\n0.203210 0.796790 0.571227 W\n0.203210 0.406420 0.571227 W\n0.593580 0.796790 0.571227 W\n0.203210 0.796790 0.928773 W\n0.203210 0.406420 0.928773 W\n0.593580 0.796790 0.928773 W\n0.796790 0.203210 0.071227 W\n0.796790 0.593580 0.071227 W\n0.406420 0.203210 0.071227 W\n0.551358 0.448642 0.750000 W\n0.551358 0.102716 0.750000 W\n0.897284 0.448642 0.750000 W\n0.448642 0.551358 0.250000 W\n0.448642 0.897284 0.250000 W\n0.102716 0.551358 0.250000 W\n0.000000 0.500000 0.500000 C\n0.500000 0.500000 0.500000 C\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.000000 C\n0.500000 0.500000 0.000000 C\n0.500000 0.000000 0.000000 C\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Al",
"Co",
"W",
"C"
],
"chemical_system": "Al-C-Co-W",
"density": 14.150301146301949,
"density_atomic": 0.07448588350004641,
"volume": 429.61160553301437,
"volume_molar": 8.084942377029398,
"formula_full": "Al6 Co2 W18 C6",
"formula_reduced": "Al3Co(W3C)3",
"formula_anonymous": "AB3C3D9",
"energy": -328.75468299,
"energy_per_atom": -10.2735838434375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -328.75468299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3099668,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:06.479000Z",
"spacegroup": 194
},
{
"id": "mp-1219525",
"created_at": "2022-09-04T14:43:17.706028Z",
"structure_string": "Re2 B2 Mo2\n1.0\n2.794114 -2.794114 -2.347763\n-2.746487 -2.746487 2.347763\n-2.746487 -2.746487 -2.347763\nRe B Mo\n2 2 2\ndirect\n0.162178 0.831089 0.668911 Re\n0.837822 0.168911 0.331089 Re\n0.000000 0.250000 0.750000 B\n0.000000 0.750000 0.250000 B\n0.500000 0.332424 0.832424 Mo\n0.500000 0.667576 0.167576 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Re",
"B",
"Mo"
],
"chemical_system": "B-Mo-Re",
"density": 13.500459203280675,
"density_atomic": 0.08325596058980109,
"volume": 72.06691217655597,
"volume_molar": 7.2332848210963,
"formula_full": "Re2 B2 Mo2",
"formula_reduced": "ReBMo",
"formula_anonymous": "ABC",
"energy": -61.63994493,
"energy_per_atom": -10.273324155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.63994493,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004337,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.728000Z",
"spacegroup": 69
}
]
}