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{
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{
"id": "mp-569916",
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{
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{
"id": "mp-10905",
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},
{
"id": "mp-1215027",
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"structure_string": "Al84 Pt20\n1.0\n0.000000 9.453615 9.453615\n9.453615 0.000000 9.453615\n9.453615 9.453615 0.000000\nAl Pt\n84 20\ndirect\n0.252438 0.252438 0.915935 Al\n0.252438 0.252438 0.579190 Al\n0.915935 0.579190 0.252438 Al\n0.915935 0.252438 0.252438 Al\n0.579190 0.915935 0.252438 Al\n0.579190 0.252438 0.252438 Al\n0.252438 0.915935 0.579190 Al\n0.252438 0.579190 0.915935 Al\n0.252438 0.915935 0.252438 Al\n0.579190 0.252438 0.915935 Al\n0.915935 0.252438 0.579190 Al\n0.252438 0.579190 0.252438 Al\n0.171847 0.171847 0.171847 Al\n0.171847 0.171847 0.484459 Al\n0.171847 0.484459 0.171847 Al\n0.484459 0.171847 0.171847 Al\n0.802640 0.802640 0.802640 Al\n0.802640 0.802640 0.592081 Al\n0.802640 0.592081 0.802640 Al\n0.592081 0.802640 0.802640 Al\n0.053212 0.053212 0.053212 Al\n0.053212 0.053212 0.840364 Al\n0.053212 0.840364 0.053212 Al\n0.840364 0.053212 0.053212 Al\n0.507890 0.507890 0.803990 Al\n0.507890 0.507890 0.180229 Al\n0.803990 0.180229 0.507890 Al\n0.803990 0.507890 0.507890 Al\n0.180229 0.803990 0.507890 Al\n0.180229 0.507890 0.507890 Al\n0.507890 0.803990 0.180229 Al\n0.507890 0.180229 0.803990 Al\n0.507890 0.803990 0.507890 Al\n0.180229 0.507890 0.803990 Al\n0.803990 0.507890 0.180229 Al\n0.507890 0.180229 0.507890 Al\n0.906251 0.906251 0.906251 Al\n0.906251 0.906251 0.281248 Al\n0.906251 0.281248 0.906251 Al\n0.281248 0.906251 0.906251 Al\n0.757639 0.757639 0.420182 Al\n0.757639 0.757639 0.064540 Al\n0.420182 0.064540 0.757639 Al\n0.420182 0.757639 0.757639 Al\n0.064540 0.420182 0.757639 Al\n0.064540 0.757639 0.757639 Al\n0.757639 0.420182 0.064540 Al\n0.757639 0.064540 0.420182 Al\n0.757639 0.420182 0.757639 Al\n0.064540 0.757639 0.420182 Al\n0.420182 0.757639 0.064540 Al\n0.757639 0.064540 0.757639 Al\n0.554441 0.554441 0.554441 Al\n0.554441 0.554441 0.336676 Al\n0.554441 0.336676 0.554441 Al\n0.336676 0.554441 0.554441 Al\n0.326939 0.326939 0.326939 Al\n0.326939 0.326939 0.019183 Al\n0.326939 0.019183 0.326939 Al\n0.019183 0.326939 0.326939 Al\n0.930325 0.569675 0.569675 Al\n0.569675 0.930325 0.930325 Al\n0.569675 0.930325 0.569675 Al\n0.930325 0.569675 0.930325 Al\n0.569675 0.569675 0.930325 Al\n0.930325 0.930325 0.569675 Al\n0.010812 0.010812 0.320219 Al\n0.010812 0.010812 0.658158 Al\n0.320219 0.658158 0.010812 Al\n0.320219 0.010812 0.010812 Al\n0.658158 0.320219 0.010812 Al\n0.658158 0.010812 0.010812 Al\n0.010812 0.320219 0.658158 Al\n0.010812 0.658158 0.320219 Al\n0.010812 0.320219 0.010812 Al\n0.658158 0.010812 0.320219 Al\n0.320219 0.010812 0.658158 Al\n0.010812 0.658158 0.010812 Al\n0.675465 0.324535 0.324535 Al\n0.324535 0.675465 0.675465 Al\n0.324535 0.675465 0.324535 Al\n0.675465 0.324535 0.675465 Al\n0.324535 0.324535 0.675465 Al\n0.675465 0.675465 0.324535 Al\n0.658068 0.658068 0.658068 Pt\n0.658068 0.658068 0.025795 Pt\n0.658068 0.025795 0.658068 Pt\n0.025795 0.658068 0.658068 Pt\n0.419567 0.419567 0.419567 Pt\n0.419567 0.419567 0.741300 Pt\n0.419567 0.741300 0.419567 Pt\n0.741300 0.419567 0.419567 Pt\n0.408305 0.091695 0.091695 Pt\n0.091695 0.408305 0.408305 Pt\n0.091695 0.408305 0.091695 Pt\n0.408305 0.091695 0.408305 Pt\n0.091695 0.091695 0.408305 Pt\n0.408305 0.408305 0.091695 Pt\n0.833783 0.166217 0.166217 Pt\n0.166217 0.833783 0.833783 Pt\n0.166217 0.833783 0.166217 Pt\n0.833783 0.166217 0.833783 Pt\n0.166217 0.166217 0.833783 Pt\n0.833783 0.833783 0.166217 Pt\n",
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{
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"structure_string": "Al1 Pt3\n1.0\n3.922808 0.000000 0.000000\n0.000000 3.922808 0.000000\n0.000000 0.000000 3.922808\nAl Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
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{
"id": "mp-10903",
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"structure_string": "Al1 Pt1\n1.0\n3.091546 0.000000 0.000000\n0.000000 3.091546 0.000000\n0.000000 0.000000 3.091546\nAl Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Pt\n",
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{
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{
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"id": "mp-1214889",
"created_at": "2022-09-04T14:47:32.779142Z",
"structure_string": "Al11 Re4\n1.0\n5.178275 0.000000 0.000000\n-0.878963 5.115871 0.000000\n-0.014341 -2.397612 8.677877\nAl Re\n11 4\ndirect\n0.811661 0.275700 0.631390 Al\n0.188339 0.724300 0.368610 Al\n0.145164 0.459548 0.872053 Al\n0.854836 0.540452 0.127947 Al\n0.000000 0.000000 0.000000 Al\n0.501596 0.096911 0.871047 Al\n0.498404 0.903089 0.128953 Al\n0.569710 0.322460 0.376881 Al\n0.430290 0.677540 0.623119 Al\n0.937107 0.817053 0.672533 Al\n0.062893 0.182947 0.327467 Al\n0.283861 0.153651 0.603387 Re\n0.716139 0.846349 0.396613 Re\n0.662786 0.611926 0.868074 Re\n0.337214 0.388074 0.131926 Re\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Al",
"Re"
],
"chemical_system": "Al-Re",
"density": 7.523887188449388,
"density_atomic": 0.06524888180492709,
"volume": 229.88899709952295,
"volume_molar": 9.229492664723725,
"formula_full": "Al11 Re4",
"formula_reduced": "Al11Re4",
"formula_anonymous": "A4B11",
"energy": -96.10343189,
"energy_per_atom": -6.406895459333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.10343189,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0071621,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.310000Z",
"spacegroup": 2
}
]
}