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},
{
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"structure_string": "Ca2 Fe1 W1 O6\n1.0\n-2.817837 2.893239 3.923543\n2.817837 -2.893239 3.923543\n2.817837 2.893239 -3.923543\nCa Fe W O\n2 1 1 6\ndirect\n0.291056 0.749603 0.541453 Ca\n0.791850 0.250397 0.541453 Ca\n0.482453 0.500000 0.982453 Fe\n0.976500 0.000000 0.976500 W\n0.716813 0.753770 0.963043 O\n0.209273 0.246230 0.963043 O\n0.199671 0.252586 0.452258 O\n0.199671 0.747414 0.947085 O\n0.722356 0.230701 0.953057 O\n0.722356 0.769299 0.491654 O\n",
"nsites": 10,
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"elements": [
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],
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"formula_full": "Ca2 Fe1 W1 O6",
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{
"id": "mp-1245091",
"created_at": "2022-09-04T14:48:06.318298Z",
"structure_string": "Cr32 O48\n1.0\n10.186982 -0.277377 0.314436\n-0.267870 9.946666 0.378873\n0.305673 0.387382 9.529551\nCr O\n32 48\ndirect\n0.446534 0.299869 0.452511 Cr\n0.674265 0.285463 0.258574 Cr\n0.504223 0.513186 0.005781 Cr\n0.151352 0.489573 0.602312 Cr\n0.864535 0.139878 0.414630 Cr\n0.999242 0.852750 0.865062 Cr\n0.594413 0.965911 0.478898 Cr\n0.606552 0.735663 0.702285 Cr\n0.284494 0.315578 0.756490 Cr\n0.603061 0.604753 0.320806 Cr\n0.809550 0.624949 0.017426 Cr\n0.193700 0.862731 0.631869 Cr\n0.337593 0.936877 0.274385 Cr\n0.411436 0.857631 0.945779 Cr\n0.919032 0.068009 0.133656 Cr\n0.433251 0.231593 0.041482 Cr\n0.932882 0.750112 0.287113 Cr\n0.535823 0.442732 0.705583 Cr\n0.033284 0.148821 0.745451 Cr\n0.395668 0.650675 0.493566 Cr\n0.037350 0.371263 0.928549 Cr\n0.874985 0.928882 0.596220 Cr\n0.573360 0.125869 0.755533 Cr\n0.717803 0.923568 0.918419 Cr\n0.222294 0.041273 0.999658 Cr\n0.167248 0.138444 0.488817 Cr\n0.892739 0.503473 0.461506 Cr\n0.628903 0.998524 0.175228 Cr\n0.174795 0.669628 0.016548 Cr\n0.264754 0.482275 0.230576 Cr\n0.021389 0.333439 0.229460 Cr\n0.765450 0.293707 0.917923 Cr\n0.176101 0.467697 0.799253 O\n0.645445 0.600673 0.118949 O\n0.677203 0.110290 0.921921 O\n0.867958 0.480420 0.947300 O\n0.593952 0.414208 0.373190 O\n0.857891 0.337634 0.355646 O\n0.604760 0.576031 0.822743 O\n0.125494 0.467837 0.095617 O\n0.968232 0.502692 0.620282 O\n0.963775 0.700060 0.094960 O\n0.396962 0.593703 0.318496 O\n0.461164 0.830624 0.400432 O\n0.427961 0.372383 0.877551 O\n0.237792 0.679784 0.575438 O\n0.924662 0.285079 0.801244 O\n0.984819 0.104130 0.556387 O\n0.148020 0.286235 0.623521 O\n0.401459 0.391803 0.152840 O\n0.274805 0.866451 0.105950 O\n0.196431 0.828283 0.848745 O\n0.043372 0.978015 0.022387 O\n0.760736 0.117536 0.253322 O\n0.717775 0.820549 0.565531 O\n0.527435 0.153932 0.346575 O\n0.413969 0.080217 0.911162 O\n0.914072 0.261870 0.071169 O\n0.160132 0.213475 0.900770 O\n0.793961 0.924995 0.098216 O\n0.438802 0.210739 0.630825 O\n0.010475 0.811376 0.662579 O\n0.813368 0.757893 0.878238 O\n0.556810 0.902020 0.780544 O\n0.559087 0.867574 0.053382 O\n0.035240 0.627803 0.364839 O\n0.789446 0.627344 0.343624 O\n0.360802 0.448164 0.579592 O\n0.310206 0.110513 0.161943 O\n0.562467 0.607800 0.551897 O\n0.726320 0.079900 0.565711 O\n0.186433 0.046084 0.675420 O\n0.374903 0.655134 0.982472 O\n0.614808 0.320825 0.064006 O\n0.914928 0.900337 0.377031 O\n0.022462 0.146239 0.281695 O\n0.887686 0.990977 0.793598 O\n0.230153 0.964114 0.435511 O\n0.658645 0.312031 0.747564 O\n0.168489 0.355285 0.355994 O\n",
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"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 4.196064782349617,
"density_atomic": 0.08312792375742377,
"volume": 962.3721655005917,
"volume_molar": 7.244425805188225,
"formula_full": "Cr32 O48",
"formula_reduced": "Cr2O3",
"formula_anonymous": "A2B3",
"energy": -698.85250478,
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"updated_at": "2021-11-28T01:38:31.859000Z",
"spacegroup": 1
}
]
}