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{
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{
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{
"id": "mp-1185103",
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{
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{
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{
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{
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"id": "mp-675033",
"created_at": "2022-09-04T14:41:53.097005Z",
"structure_string": "Ga12 Ag2 Te19\n1.0\n10.454942 0.000000 0.000000\n0.079930 10.502036 0.000000\n0.042842 0.160763 10.516833\nGa Ag Te\n12 2 19\ndirect\n0.991141 0.667957 0.922237 Ga\n0.386286 0.592423 0.968607 Ga\n0.675001 0.840668 0.873179 Ga\n0.036886 0.402881 0.620321 Ga\n0.808990 0.122493 0.600167 Ga\n0.905878 0.748774 0.591333 Ga\n0.581912 0.833617 0.503329 Ga\n0.502824 0.169359 0.419765 Ga\n0.125168 0.159144 0.328391 Ga\n0.402671 0.881403 0.184697 Ga\n0.412264 0.252974 0.090308 Ga\n0.077436 0.328046 0.010473 Ga\n0.241155 0.695919 0.418497 Ag\n0.918087 0.002940 0.074148 Ag\n0.249177 0.175651 0.920464 Te\n0.415546 0.836535 0.924264 Te\n0.751764 0.077732 0.842602 Te\n0.913351 0.432697 0.834741 Te\n0.083827 0.819290 0.748501 Te\n0.676220 0.670160 0.684439 Te\n0.416762 0.000445 0.583945 Te\n0.076586 0.160139 0.585877 Te\n0.686311 0.316914 0.497310 Te\n0.010461 0.569275 0.440799 Te\n0.814592 0.929888 0.431488 Te\n0.317471 0.325912 0.321422 Te\n0.490311 0.683043 0.324181 Te\n0.159281 0.919744 0.251179 Te\n0.925793 0.243922 0.193823 Te\n0.571105 0.070936 0.186376 Te\n0.165663 0.563994 0.085385 Te\n0.808528 0.754597 0.072791 Te\n0.563352 0.430427 0.989361 Te\n",
"nsites": 33,
"nelements": 3,
"elements": [
"Ga",
"Ag",
"Te"
],
"chemical_system": "Ag-Ga-Te",
"density": 4.99977254197396,
"density_atomic": 0.028578131591544202,
"volume": 1154.729093967926,
"volume_molar": 21.0725489198246,
"formula_full": "Ga12 Ag2 Te19",
"formula_reduced": "Ga12Ag2Te19",
"formula_anonymous": "A2B12C19",
"energy": -118.29010981,
"energy_per_atom": -3.584548782121212,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.27210981000002,
"band_gap": 0.6990000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034093,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.238000Z",
"spacegroup": 1
}
]
}