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{
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{
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{
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{
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"density_atomic": 0.02831956406871132,
"volume": 141.24511204674133,
"volume_molar": 21.2649486601862,
"formula_full": "Pm1 Nd3",
"formula_reduced": "PmNd3",
"formula_anonymous": "AB3",
"energy": -19.00269528,
"energy_per_atom": -4.75067382,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.00269528,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012231,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.941000Z",
"spacegroup": 139
},
{
"id": "mp-1027173",
"created_at": "2022-09-04T14:39:11.513193Z",
"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n1.652868 -2.862852 0.000000\n1.652868 2.862852 0.000000\n0.000000 0.000000 44.776068\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.666667 0.333333 0.429307 Te\n0.666667 0.333333 0.514714 Te\n0.333333 0.666667 0.093536 Mo\n0.333333 0.666667 0.472054 Mo\n0.666667 0.333333 0.277382 W\n0.666667 0.333333 0.659964 W\n0.333333 0.666667 0.315064 Se\n0.333333 0.666667 0.239685 Se\n0.333333 0.666667 0.694264 S\n0.666667 0.333333 0.059423 S\n0.666667 0.333333 0.127651 S\n0.333333 0.666667 0.625703 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 4.314194598203396,
"density_atomic": 0.028318368461922573,
"volume": 423.75322632500644,
"volume_molar": 21.26584647027772,
"formula_full": "Te2 Mo2 W2 Se2 S4",
"formula_reduced": "TeMoWSeS2",
"formula_anonymous": "ABCDE2",
"energy": -88.14851363999999,
"energy_per_atom": -7.345709469999999,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -84.34851364,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0014075,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.001000Z",
"spacegroup": 156
}
]
}