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{
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{
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"structure_string": "Re6 Te14 I14\n1.0\n11.160404 0.000000 0.000000\n-5.293383 -9.911732 0.000000\n-3.221517 0.909269 -11.976765\nRe Te I\n6 14 14\ndirect\n0.938532 0.117645 0.911801 Re\n0.061468 0.882355 0.088199 Re\n0.844105 0.845875 0.907759 Re\n0.155895 0.154125 0.092241 Re\n0.113801 0.015723 0.901841 Re\n0.886199 0.984277 0.098159 Re\n0.848653 0.287544 0.800881 Te\n0.151347 0.712456 0.199119 Te\n0.623881 0.617125 0.797215 Te\n0.376119 0.382875 0.202785 Te\n0.292310 0.042912 0.778924 Te\n0.707690 0.957088 0.221076 Te\n0.669415 0.948014 0.917267 Te\n0.330585 0.051986 0.082733 Te\n0.018776 0.743710 0.897049 Te\n0.981224 0.256290 0.102951 Te\n0.897124 0.978892 0.722466 Te\n0.102876 0.021108 0.277534 Te\n0.207727 0.286809 0.904694 Te\n0.792273 0.713191 0.095306 Te\n0.390769 0.874610 0.368569 I\n0.609231 0.125390 0.631431 I\n0.982129 0.595561 0.354841 I\n0.017871 0.404439 0.645159 I\n0.359840 0.689222 0.057781 I\n0.640160 0.310778 0.942219 I\n0.702632 0.548165 0.623758 I\n0.297368 0.451835 0.376242 I\n0.143851 0.828030 0.611011 I\n0.856149 0.171970 0.388989 I\n0.288479 0.231343 0.623499 I\n0.711521 0.768657 0.376501 I\n0.433547 0.692777 0.657087 I\n0.566453 0.307223 0.342913 I\n",
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"id": "mp-1028385",
"created_at": "2022-09-04T14:39:47.760823Z",
"structure_string": "La1 Mg14 Al1\n1.0\n6.566910 0.079520 0.000000\n-3.214589 5.567831 0.000000\n0.000000 0.000000 10.338243\nLa Mg Al\n1 14 1\ndirect\n0.154842 0.827420 0.125000 La\n0.163263 0.331631 0.625000 Mg\n0.166705 0.833352 0.625000 Mg\n0.651634 0.333791 0.125000 Mg\n0.666597 0.329799 0.625000 Mg\n0.651634 0.817842 0.125000 Mg\n0.666597 0.836797 0.625000 Mg\n0.336871 0.174026 0.381108 Mg\n0.336871 0.174026 0.868892 Mg\n0.336871 0.662846 0.381108 Mg\n0.336871 0.662846 0.868892 Mg\n0.841706 0.170853 0.361259 Mg\n0.841706 0.170853 0.888741 Mg\n0.827152 0.663577 0.386260 Mg\n0.827152 0.663577 0.863740 Mg\n0.193528 0.346764 0.125000 Al\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"Al"
],
"chemical_system": "Al-La-Mg",
"density": 2.208080035959947,
"density_atomic": 0.04203397306230072,
"volume": 380.6444843147607,
"volume_molar": 14.32684165038188,
"formula_full": "La1 Mg14 Al1",
"formula_reduced": "LaMg14Al",
"formula_anonymous": "ABC14",
"energy": -31.14890874,
"energy_per_atom": -1.94680679625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.14890874,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.82e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.766000Z",
"spacegroup": 38
}
]
}