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{
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"structure_string": "Li8 Al2 Cr6 O16\n1.0\n-0.000807 5.066302 -0.000505\n7.330095 0.842761 4.862083\n4.397421 -0.844623 -4.860794\nLi Al Cr O\n8 2 6 16\ndirect\n0.002206 0.499078 0.499516 Li\n0.002130 0.999079 0.999516 Li\n0.497846 0.875925 0.875469 Li\n0.497784 0.375928 0.375432 Li\n0.498725 0.124465 0.123799 Li\n0.498697 0.624469 0.623832 Li\n0.001317 0.250552 0.251118 Li\n0.001302 0.750549 0.751168 Li\n0.249956 0.687485 0.187508 Al\n0.250023 0.187478 0.687495 Al\n0.250061 0.437479 0.937489 Cr\n0.750225 0.810914 0.311698 Cr\n0.749717 0.064087 0.563303 Cr\n0.249952 0.937477 0.437554 Cr\n0.750291 0.310994 0.811580 Cr\n0.749760 0.564059 0.063375 Cr\n0.126802 0.224572 0.946146 O\n0.126780 0.724531 0.446230 O\n0.373228 0.650435 0.928861 O\n0.373172 0.150432 0.428818 O\n0.374070 0.389849 0.670342 O\n0.374037 0.889817 0.170424 O\n0.125970 0.485137 0.204626 O\n0.125908 0.985161 0.704652 O\n0.624101 0.352151 0.080277 O\n0.624036 0.852175 0.580354 O\n0.875970 0.522904 0.794669 O\n0.875899 0.022830 0.294663 O\n0.605970 0.604067 0.325967 O\n0.606029 0.104170 0.825876 O\n0.893986 0.770848 0.049180 O\n0.894046 0.270900 0.549063 O\n",
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"nelements": 4,
"elements": [
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],
"chemical_system": "Al-Cr-Li-O",
"density": 3.89472244599894,
"density_atomic": 0.11078857317214973,
"volume": 288.83845223168044,
"volume_molar": 5.435705675749112,
"formula_full": "Li8 Al2 Cr6 O16",
"formula_reduced": "Li4AlCr3O8",
"formula_anonymous": "AB3C4D8",
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"energy_per_atom": -7.5658658596875,
"energy_above_hull": null,
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"energy_uncorrected": -219.12170751,
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"updated_at": "2021-11-28T01:34:29.970000Z",
"spacegroup": 2
},
{
"id": "mp-1226842",
"created_at": "2022-09-04T14:39:13.090942Z",
"structure_string": "Cd1 Ga4 As4 S1\n1.0\n-2.889147 -2.889147 0.000000\n0.000000 2.889147 -2.889147\n8.702979 -11.592126 -8.702979\nCd Ga As S\n1 4 4 1\ndirect\n0.999915 0.000085 0.000256 Cd\n0.598599 0.401401 0.204203 Ga\n0.199425 0.800575 0.401725 Ga\n0.799949 0.200051 0.600154 Ga\n0.400869 0.599131 0.797392 Ga\n0.947956 0.052044 0.156131 As\n0.548993 0.451007 0.353020 As\n0.149628 0.850372 0.551117 As\n0.750138 0.249862 0.749587 As\n0.354528 0.645472 0.936416 S\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Ga",
"As",
"S"
],
"chemical_system": "As-Cd-Ga-S",
"density": 4.960340489259346,
"density_atomic": 0.04131344564692523,
"volume": 242.05194806219833,
"volume_molar": 14.576709024627677,
"formula_full": "Cd1 Ga4 As4 S1",
"formula_reduced": "CdGa4As4S",
"formula_anonymous": "ABC4D4",
"energy": -40.29825988,
"energy_per_atom": -4.029825988000001,
"energy_above_hull": null,
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"energy_uncorrected": -39.79525988,
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"updated_at": "2021-11-28T01:34:35.379000Z",
"spacegroup": 160
},
{
"id": "mp-1210532",
"created_at": "2022-09-04T14:39:13.094206Z",
"structure_string": "Lu10 Bi2 Pd4\n1.0\n-3.804237 3.804237 6.866543\n3.804237 -3.804237 6.866543\n3.804237 3.804237 -6.866543\nLu Bi Pd\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.000000 Lu\n0.795175 0.295175 0.811919 Lu\n0.204825 0.704825 0.188081 Lu\n0.483257 0.983257 0.188081 Lu\n0.295175 0.483257 0.500000 Lu\n0.016743 0.204825 0.500000 Lu\n0.516743 0.016743 0.811919 Lu\n0.704825 0.516743 0.500000 Lu\n0.983257 0.795175 0.500000 Lu\n0.250000 0.250000 0.000000 Bi\n0.750000 0.750000 0.000000 Bi\n0.137986 0.637986 0.775972 Pd\n0.862014 0.362014 0.224028 Pd\n0.637986 0.862014 0.500000 Pd\n0.362014 0.137986 0.500000 Pd\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Bi",
"Pd"
],
"chemical_system": "Bi-Lu-Pd",
"density": 10.833540229023974,
"density_atomic": 0.040251930750977286,
"volume": 397.49646045516795,
"volume_molar": 14.961122727892471,
"formula_full": "Lu10 Bi2 Pd4",
"formula_reduced": "Lu5BiPd2",
"formula_anonymous": "AB2C5",
"energy": -85.05150466,
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"updated_at": "2021-11-28T01:34:40.536000Z",
"spacegroup": 140
},
{
"id": "mp-553991",
"created_at": "2022-09-04T14:39:13.124257Z",
"structure_string": "Ti1 Ga4 O8\n1.0\n1.528410 6.220307 0.000000\n-1.528410 6.220307 0.000000\n0.000000 5.430501 7.924802\nTi Ga O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ti\n0.464285 0.464285 0.712020 Ga\n0.240649 0.240649 0.362582 Ga\n0.759351 0.759351 0.637418 Ga\n0.535715 0.535715 0.287980 Ga\n0.107734 0.107734 0.309723 O\n0.445263 0.445263 0.918859 O\n0.554737 0.554737 0.081141 O\n0.166698 0.166698 0.781743 O\n0.892266 0.892266 0.690277 O\n0.354483 0.354483 0.459252 O\n0.645517 0.645517 0.540748 O\n0.833302 0.833302 0.218257 O\n",
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],
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"density": 5.011361246992628,
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"volume": 150.68502899358845,
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"formula_full": "Ti1 Ga4 O8",
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"energy": -92.75259724,
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}
]
}