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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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{
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{
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"formula_full": "Na6 Fe10 O18",
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},
{
"id": "mp-644424",
"created_at": "2022-09-04T14:46:14.484898Z",
"structure_string": "Sr2 Co1 O3\n1.0\n2.515062 2.480849 0.000000\n-2.515062 2.480849 0.000000\n0.000000 1.055643 10.853887\nSr Co O\n2 1 3\ndirect\n0.455802 0.455802 0.708269 Sr\n0.544198 0.544198 0.291731 Sr\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 O\n0.959704 0.959704 0.689922 O\n0.040296 0.040296 0.310078 O\n",
"nsites": 6,
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"elements": [
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"Co",
"O"
],
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"density": 3.459375971314559,
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"volume": 135.44541812160094,
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"formula_full": "Sr2 Co1 O3",
"formula_reduced": "Sr2CoO3",
"formula_anonymous": "AB2C3",
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"updated_at": "2021-11-28T01:37:31.220000Z",
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{
"id": "mp-4472",
"created_at": "2022-09-04T14:46:14.613415Z",
"structure_string": "B2 Mo4 C2\n1.0\n1.557690 -8.770299 0.000000\n1.557690 8.770299 0.000000\n0.000000 0.000000 3.076998\nB Mo C\n2 4 2\ndirect\n0.527947 0.472053 0.750000 B\n0.472053 0.527947 0.250000 B\n0.314540 0.685461 0.250000 Mo\n0.685461 0.314539 0.750000 Mo\n0.071888 0.928112 0.250000 Mo\n0.928112 0.071888 0.750000 Mo\n0.808778 0.191222 0.750000 C\n0.191222 0.808778 0.250000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
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"density": 8.481290426631558,
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"volume": 84.07224433582554,
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"formula_full": "B2 Mo4 C2",
"formula_reduced": "BMo2C",
"formula_anonymous": "ABC2",
"energy": -77.15853903,
"energy_per_atom": -9.64481737875,
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"updated_at": "2021-11-28T01:37:24.711000Z",
"spacegroup": 63
},
{
"id": "mp-759142",
"created_at": "2022-09-04T14:46:14.675267Z",
"structure_string": "Mn4 C6 O18\n1.0\n7.469806 0.036056 -0.064082\n3.652612 6.481193 0.054236\n-0.095042 0.110174 7.418398\nMn C O\n4 6 18\ndirect\n0.330341 0.333511 0.955353 Mn\n0.334791 0.332027 0.544059 Mn\n0.665472 0.667975 0.455708 Mn\n0.669490 0.666505 0.044660 Mn\n0.337212 0.068035 0.253102 C\n0.068632 0.594100 0.248403 C\n0.407164 0.661910 0.752285 C\n0.592960 0.337953 0.248095 C\n0.931191 0.405996 0.752126 C\n0.662729 0.931929 0.747453 C\n0.260196 0.157564 0.097797 O\n0.260509 0.155998 0.400936 O\n0.123007 0.368814 0.753128 O\n0.158589 0.578578 0.403313 O\n0.157346 0.582343 0.099795 O\n0.369460 0.506552 0.753705 O\n0.505571 0.122068 0.744719 O\n0.577336 0.262567 0.096151 O\n0.581008 0.261359 0.399501 O\n0.419278 0.738653 0.600173 O\n0.422645 0.737155 0.903615 O\n0.494312 0.877895 0.255244 O\n0.630630 0.493292 0.246052 O\n0.842681 0.417781 0.900133 O\n0.841371 0.421415 0.596786 O\n0.876940 0.631271 0.246924 O\n0.739901 0.843797 0.599131 O\n0.739304 0.842594 0.902256 O\n",
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"elements": [
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"C",
"O"
],
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"density": 2.688893501428275,
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"volume": 358.0617142743887,
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"formula_full": "Mn4 C6 O18",
"formula_reduced": "Mn2(CO3)3",
"formula_anonymous": "A2B3C9",
"energy": -231.343982,
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"updated_at": "2021-11-28T01:37:25.194000Z",
"spacegroup": 176
}
]
}