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{
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{
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{
"id": "mp-1066400",
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"structure_string": "Na1 N3\n1.0\n5.099253 -1.895716 0.000000\n5.099253 1.895716 0.000000\n4.394496 0.000000 3.206950\nNa N\n1 3\ndirect\n0.000128 0.000128 0.000128 Na\n0.424350 0.424350 0.424350 N\n0.503511 0.503511 0.503511 N\n0.583011 0.583011 0.583011 N\n",
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{
"id": "mp-1099574",
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"structure_string": "Ce16 Se32\n1.0\n-0.038675 0.044769 -8.914191\n-22.553737 -0.017411 -2.283130\n-0.404883 22.542104 -2.304529\nCe Se\n16 32\ndirect\n0.135215 0.396215 0.745461 Ce\n0.864785 0.603785 0.254539 Ce\n0.414562 0.438601 0.558224 Ce\n0.585438 0.561399 0.441776 Ce\n0.209614 0.100538 0.750179 Ce\n0.790386 0.899462 0.249821 Ce\n0.136324 0.245768 0.896028 Ce\n0.863676 0.754232 0.103972 Ce\n0.040448 0.060387 0.560465 Ce\n0.959552 0.939613 0.439535 Ce\n0.961867 0.439383 0.939397 Ce\n0.038133 0.560617 0.060603 Ce\n0.415181 0.058207 0.938497 Ce\n0.584819 0.941793 0.061503 Ce\n0.209625 0.249927 0.600518 Ce\n0.790375 0.750073 0.399482 Ce\n0.798067 0.017755 0.517758 Se\n0.201933 0.982245 0.482242 Se\n0.936228 0.463961 0.821349 Se\n0.063772 0.536039 0.178651 Se\n0.322225 0.174766 0.962193 Se\n0.677775 0.825234 0.037807 Se\n0.688283 0.478389 0.521617 Se\n0.311717 0.521611 0.478383 Se\n0.067094 0.178016 0.534908 Se\n0.932906 0.821984 0.465092 Se\n0.311502 0.978421 0.021594 Se\n0.688498 0.021579 0.978406 Se\n0.285334 0.324552 0.823985 Se\n0.714666 0.675448 0.176015 Se\n0.320932 0.462848 0.674662 Se\n0.679068 0.537152 0.325338 Se\n0.389696 0.322472 0.534095 Se\n0.610304 0.677528 0.465905 Se\n0.797996 0.518064 0.018062 Se\n0.202004 0.481936 0.981938 Se\n0.067312 0.035049 0.678117 Se\n0.932688 0.964951 0.321883 Se\n0.014638 0.169787 0.827034 Se\n0.985362 0.830213 0.172966 Se\n0.364735 0.173909 0.673861 Se\n0.635265 0.826091 0.326139 Se\n0.936551 0.321281 0.963889 Se\n0.063449 0.678719 0.036111 Se\n0.014256 0.326455 0.669978 Se\n0.985744 0.673545 0.330022 Se\n0.389842 0.034051 0.822379 Se\n0.610159 0.965949 0.177621 Se\n",
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{
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{
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{
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{
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{
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{
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"elements": [
"Mg",
"H"
],
"chemical_system": "H-Mg",
"density": 1.5580970204558062,
"density_atomic": 0.10694641947568687,
"volume": 112.2057200122354,
"volume_molar": 5.630988666590254,
"formula_full": "Mg4 H8",
"formula_reduced": "MgH2",
"formula_anonymous": "AB2",
"energy": -36.70244577,
"energy_per_atom": -3.0585371474999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.27044577,
"band_gap": 2.9992,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.71e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.012000Z",
"spacegroup": 205
}
]
}