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"structure_string": "V9 Te8\n1.0\n-7.101343 0.000000 0.000000\n-0.030899 -7.210092 0.000000\n2.109985 2.071296 7.140841\nV Te\n9 8\ndirect\n0.504349 0.501979 0.725530 V\n0.500233 0.498069 0.280261 V\n0.561619 0.216774 0.444824 V\n0.574950 0.216477 0.946502 V\n0.430008 0.794027 0.557401 V\n0.438197 0.775668 0.051078 V\n0.723394 0.571908 0.075243 V\n0.251939 0.414759 0.419871 V\n0.278651 0.438168 0.923076 V\n0.154273 0.686636 0.708758 Te\n0.155561 0.689106 0.210745 Te\n0.837119 0.310252 0.291026 Te\n0.842091 0.317605 0.786766 Te\n0.720500 0.853884 0.888727 Te\n0.714195 0.850847 0.397642 Te\n0.280232 0.144843 0.100797 Te\n0.281990 0.143697 0.610253 Te\n",
"nsites": 17,
"nelements": 2,
"elements": [
"V",
"Te"
],
"chemical_system": "Te-V",
"density": 6.718416370002064,
"density_atomic": 0.04649628580064355,
"volume": 365.6206018882632,
"volume_molar": 12.951874878394369,
"formula_full": "V9 Te8",
"formula_reduced": "V9Te8",
"formula_anonymous": "A8B9",
"energy": -115.39548913,
"energy_per_atom": -6.787969948823529,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.01948913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.900436,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.311000Z",
"spacegroup": 1
},
{
"id": "mp-510374",
"created_at": "2022-09-04T14:40:12.686041Z",
"structure_string": "Gd1 As1\n1.0\n0.000000 2.948543 2.948543\n2.948543 0.000000 2.948543\n2.948543 2.948543 0.000000\nGd As\n1 1\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Gd",
"As"
],
"chemical_system": "As-Gd",
"density": 7.51979149854793,
"density_atomic": 0.039010148446887195,
"volume": 51.26871031324131,
"volume_molar": 15.437369504500143,
"formula_full": "Gd1 As1",
"formula_reduced": "GdAs",
"formula_anonymous": "AB",
"energy": -21.80053485,
"energy_per_atom": -10.900267425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.80053485,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9972229,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.701000Z",
"spacegroup": 225
}
]
}