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{
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{
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{
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"structure_string": "Gd2 Al40 Cr4\n1.0\n0.000000 7.223379 7.223379\n7.223379 0.000000 7.223379\n7.223379 7.223379 0.000000\nGd Al Cr\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Gd\n0.750000 0.750000 0.750000 Gd\n0.568153 0.298793 0.298793 Al\n0.298793 0.568153 0.834261 Al\n0.298793 0.834261 0.568153 Al\n0.834261 0.298793 0.298793 Al\n0.298793 0.298793 0.568153 Al\n0.568153 0.834261 0.298793 Al\n0.834261 0.568153 0.298793 Al\n0.298793 0.298793 0.834261 Al\n0.298793 0.568153 0.298793 Al\n0.834261 0.298793 0.568153 Al\n0.568153 0.298793 0.834261 Al\n0.298793 0.834261 0.298793 Al\n0.681847 0.951207 0.951207 Al\n0.951207 0.681847 0.415739 Al\n0.951207 0.415739 0.681847 Al\n0.415739 0.951207 0.951207 Al\n0.951207 0.951207 0.681847 Al\n0.681847 0.415739 0.951207 Al\n0.415739 0.681847 0.951207 Al\n0.951207 0.951207 0.415739 Al\n0.951207 0.681847 0.951207 Al\n0.415739 0.951207 0.681847 Al\n0.681847 0.951207 0.415739 Al\n0.951207 0.415739 0.951207 Al\n0.863282 0.863282 0.136718 Al\n0.136718 0.136718 0.863282 Al\n0.863282 0.136718 0.863282 Al\n0.136718 0.863282 0.136718 Al\n0.136718 0.863282 0.863282 Al\n0.863282 0.136718 0.136718 Al\n0.386718 0.386718 0.113282 Al\n0.113282 0.113282 0.386718 Al\n0.386718 0.113282 0.386718 Al\n0.113282 0.386718 0.113282 Al\n0.113282 0.386718 0.386718 Al\n0.386718 0.113282 0.113282 Al\n0.125000 0.625000 0.625000 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.625000 Al\n0.625000 0.125000 0.125000 Cr\n0.125000 0.625000 0.125000 Cr\n0.125000 0.125000 0.625000 Cr\n0.125000 0.125000 0.125000 Cr\n",
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{
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"created_at": "2022-09-04T14:47:28.768735Z",
"structure_string": "Ce8 Pt2\n1.0\n-5.501706 -5.501706 0.000000\n-5.501706 0.000000 -5.501706\n0.000000 -5.501706 -5.501706\nCe Pt\n8 2\ndirect\n0.608539 0.608539 0.608539 Ce\n0.174384 0.608539 0.608539 Ce\n0.608539 0.174384 0.608539 Ce\n0.575616 0.141461 0.141461 Ce\n0.141461 0.141461 0.141461 Ce\n0.608539 0.608539 0.174384 Ce\n0.141461 0.575616 0.141461 Ce\n0.141461 0.141461 0.575616 Ce\n0.000000 0.000000 0.000000 Pt\n0.750000 0.750000 0.750000 Pt\n",
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{
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"updated_at": "2021-11-28T01:38:12.136000Z",
"spacegroup": 227
},
{
"id": "mp-570959",
"created_at": "2022-09-04T14:47:27.112928Z",
"structure_string": "Dy4 Cd2 Se8\n1.0\n0.000000 5.908665 5.908665\n5.908665 0.000000 5.908665\n5.908665 5.908665 0.000000\nDy Cd Se\n4 2 8\ndirect\n0.625000 0.125000 0.125000 Dy\n0.125000 0.625000 0.125000 Dy\n0.125000 0.125000 0.625000 Dy\n0.125000 0.125000 0.125000 Dy\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n0.367981 0.896058 0.367981 Se\n0.353942 0.882019 0.882019 Se\n0.882019 0.882019 0.353942 Se\n0.367981 0.367981 0.367981 Se\n0.882019 0.882019 0.882019 Se\n0.896058 0.367981 0.367981 Se\n0.882019 0.353942 0.882019 Se\n0.367981 0.367981 0.896058 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Cd",
"Se"
],
"chemical_system": "Cd-Dy-Se",
"density": 6.063462711491044,
"density_atomic": 0.033933600045616144,
"volume": 412.57043111194,
"volume_molar": 17.74683721121419,
"formula_full": "Dy4 Cd2 Se8",
"formula_reduced": "Dy2CdSe4",
"formula_anonymous": "AB2C4",
"energy": -73.13077994999999,
"energy_per_atom": -5.223627139285713,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.35477995,
"band_gap": 0.5809,
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"is_magnetic": false,
"total_magnetization": 0.0001935,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.025000Z",
"spacegroup": 227
},
{
"id": "mp-1214055",
"created_at": "2022-09-04T14:47:26.892273Z",
"structure_string": "Ca8 Rh2\n1.0\n0.000000 5.759508 5.759508\n5.759508 0.000000 5.759508\n5.759508 5.759508 0.000000\nCa Rh\n8 2\ndirect\n0.380608 0.380608 0.380608 Ca\n0.380608 0.380608 0.858175 Ca\n0.380608 0.858175 0.380608 Ca\n0.869392 0.869392 0.391825 Ca\n0.869392 0.869392 0.869392 Ca\n0.858175 0.380608 0.380608 Ca\n0.869392 0.391825 0.869392 Ca\n0.391825 0.869392 0.869392 Ca\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ca",
"Rh"
],
"chemical_system": "Ca-Rh",
"density": 2.2877454477898738,
"density_atomic": 0.026170610074179965,
"volume": 382.1080200902937,
"volume_molar": 23.011082825086564,
"formula_full": "Ca8 Rh2",
"formula_reduced": "Ca4Rh",
"formula_anonymous": "AB4",
"energy": -30.10591456,
"energy_per_atom": -3.0105914559999998,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -30.10591456,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:13.399000Z",
"spacegroup": 227
}
]
}