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{
"id": "mp-1200724",
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"structure_string": "Mg8 P8 H112 C4 Cl8 O80\n1.0\n7.878637 0.000000 0.000000\n0.000000 20.715225 0.000000\n-1.682190 0.000000 12.687713\nMg P H C Cl O\n8 8 112 4 8 80\ndirect\n0.425955 0.750000 0.054684 Mg\n0.574045 0.250000 0.945316 Mg\n0.933102 0.750000 0.038841 Mg\n0.066898 0.250000 0.961159 Mg\n0.700063 0.954524 0.209567 Mg\n0.299937 0.454524 0.790433 Mg\n0.299937 0.045476 0.790433 Mg\n0.700063 0.545476 0.209567 Mg\n0.633651 0.826365 0.889085 P\n0.366349 0.326365 0.110915 P\n0.366349 0.173635 0.110915 P\n0.633651 0.673635 0.889085 P\n0.202782 0.826313 0.217204 P\n0.797218 0.326313 0.782796 P\n0.797218 0.173687 0.782796 P\n0.202782 0.673687 0.217204 P\n0.726484 0.788553 0.176619 H\n0.273516 0.288553 0.823381 H\n0.273516 0.211447 0.823381 H\n0.726484 0.711447 0.176619 H\n0.157433 0.788444 0.910253 H\n0.842567 0.288444 0.089747 H\n0.842567 0.211556 0.089747 H\n0.157433 0.711556 0.910253 H\n0.547902 0.842566 0.223920 H\n0.452098 0.342566 0.776080 H\n0.452098 0.157434 0.776080 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O\n0.581009 0.904993 0.601630 O\n0.418991 0.404993 0.398370 O\n0.418991 0.095007 0.398370 O\n0.581009 0.595007 0.601630 O\n0.081119 0.853158 0.831874 O\n0.918881 0.353158 0.168126 O\n0.918881 0.146842 0.168126 O\n0.081119 0.646842 0.831874 O\n0.782755 0.987245 0.915424 O\n0.217245 0.487245 0.084576 O\n0.217245 0.012755 0.084576 O\n0.782755 0.512755 0.915424 O\n0.837700 0.969994 0.529748 O\n0.162300 0.469994 0.470252 O\n0.162300 0.030006 0.470252 O\n0.837700 0.530006 0.529748 O\n0.732358 0.827114 0.462681 O\n0.267642 0.327114 0.537319 O\n0.267642 0.172886 0.537319 O\n0.732358 0.672886 0.462681 O\n0.262276 0.898742 0.501822 O\n0.737724 0.398742 0.498178 O\n0.737724 0.101258 0.498178 O\n0.262276 0.601258 0.501822 O\n0.041929 0.831551 0.620793 O\n0.958071 0.331551 0.379207 O\n0.958071 0.168449 0.379207 O\n0.041929 0.668449 0.620793 O\n",
"nsites": 220,
"nelements": 6,
"elements": [
"Mg",
"P",
"H",
"C",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-Mg-O-P",
"density": 1.7375265139671943,
"density_atomic": 0.10624257510155591,
"volume": 2070.7329410050993,
"volume_molar": 5.6682932941370385,
"formula_full": "Mg8 P8 H112 C4 Cl8 O80",
"formula_reduced": "Mg2P2H28C(ClO10)2",
"formula_anonymous": "AB2C2D2E20F28",
"energy": -1215.2840385000002,
"energy_per_atom": -5.524018356818183,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1155.4120385,
"band_gap": 3.8884,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3301782,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.742000Z",
"spacegroup": 11
},
{
"id": "mp-1200162",
"created_at": "2022-09-04T14:48:17.540656Z",
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{
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"elements": [
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},
{
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"elements": [
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