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{
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{
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"updated_at": "2022-09-04T14:38:10.067653Z",
"structure_string": "Mn8 O14 F2\n1.0\n6.461603 -0.008027 -0.018503\n-0.717380 6.421663 -0.018609\n-2.808420 -3.135981 5.417003\nMn O F\n8 14 2\ndirect\n0.695320 0.446077 0.139345 Mn\n0.803773 0.049495 0.856058 Mn\n0.323590 0.547749 0.354134 Mn\n0.196077 0.945322 0.639347 Mn\n0.799496 0.053771 0.356058 Mn\n0.697601 0.448108 0.648480 Mn\n0.198109 0.947601 0.148479 Mn\n0.297752 0.573589 0.854138 Mn\n0.902848 0.981018 0.617326 O\n0.400372 0.479046 0.619243 O\n0.268895 0.856378 0.883708 O\n0.631498 0.718344 0.115906 O\n0.229046 0.650374 0.119248 O\n0.867701 0.778221 0.882756 O\n0.964636 0.388897 0.618436 O\n0.138899 0.214634 0.118437 O\n0.528217 0.117701 0.382753 O\n0.764164 0.347777 0.881302 O\n0.731018 0.152851 0.117330 O\n0.606380 0.518894 0.383713 O\n0.097779 0.014163 0.381306 O\n0.468346 0.881497 0.615905 O\n0.351725 0.286764 0.883298 F\n0.036757 0.601722 0.383295 F\n",
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{
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"structure_string": "Li7 Sb1 O6\n1.0\n4.816933 -0.087847 3.308021\n1.694703 4.509827 3.308021\n-0.129359 -0.087847 5.842012\nLi Sb O\n7 1 6\ndirect\n0.654006 0.654006 0.654007 Li\n0.121332 0.725183 0.499449 Li\n0.725182 0.499448 0.121333 Li\n0.499448 0.121332 0.725183 Li\n0.935189 0.234356 0.487250 Li\n0.234356 0.487250 0.935189 Li\n0.487249 0.935189 0.234356 Li\n0.001699 0.001699 0.001699 Sb\n0.797940 0.076419 0.378567 O\n0.234745 0.882496 0.641368 O\n0.882495 0.641368 0.234746 O\n0.378566 0.797940 0.076420 O\n0.076420 0.378567 0.797940 O\n0.641368 0.234745 0.882496 O\n",
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{
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"created_at": "2022-09-04T14:38:00.160623Z",
"updated_at": "2022-09-04T14:38:00.160633Z",
"structure_string": "Li14 Mn2 O9\n1.0\n2.903684 -5.029327 0.000000\n2.903684 5.029327 -0.000000\n-0.000000 -0.000000 7.984642\nLi Mn O\n14 2 9\ndirect\n0.358589 0.297348 0.094730 Li\n0.641410 0.702650 0.905269 Li\n0.312329 0.373779 0.585681 Li\n0.061239 0.358589 0.905269 Li\n0.297348 0.938760 0.905269 Li\n0.938549 0.312328 0.414318 Li\n0.061450 0.687670 0.585681 Li\n0.626219 0.938548 0.585681 Li\n0.938760 0.641410 0.094730 Li\n0.000000 0.000000 0.260323 Li\n0.000000 0.000000 0.739676 Li\n0.687670 0.626219 0.414318 Li\n0.373780 0.061450 0.414318 Li\n0.702651 0.061239 0.094730 Li\n0.666666 0.333332 0.747036 Mn\n0.333332 0.666666 0.252963 Mn\n0.333332 0.666666 0.005660 O\n0.979642 0.310727 0.658609 O\n0.020356 0.689272 0.341391 O\n0.331084 0.020356 0.658609 O\n0.666666 0.333332 0.994340 O\n0.689271 0.668915 0.658609 O\n0.310728 0.331084 0.341391 O\n0.000000 0.000000 0.000000 O\n0.668915 0.979642 0.341391 O\n",
"nsites": 25,
"nelements": 3,
"elements": [
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"Mn",
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],
"chemical_system": "Li-Mn-O",
"density": 2.499578818673044,
"density_atomic": 0.10720013662623355,
"volume": 233.20865799980808,
"volume_molar": 5.617661459702178,
"formula_full": "Li14 Mn2 O9",
"formula_reduced": "Li14Mn2O9",
"formula_anonymous": "A2B9C14",
"energy_above_hull": 1.9622402393103449,
"spacegroup": 147
},
{
"id": "jvasp-12869",
"created_at": "2022-09-04T14:37:27.159869Z",
"updated_at": "2022-09-04T14:37:27.159889Z",
"structure_string": "Li10 Al2 O8\n1.0\n4.606885 0.000000 0.000000\n-0.000000 6.301021 0.000000\n0.000000 0.000000 6.426550\nLi Al O\n10 2 8\ndirect\n0.745976 0.488930 0.446895 Li\n0.791722 0.250000 0.750000 Li\n0.745976 0.488930 0.053105 Li\n0.745976 0.011070 0.446895 Li\n0.254023 0.988929 0.946895 Li\n0.208277 0.750000 0.250000 Li\n0.254023 0.511070 0.946895 Li\n0.254023 0.988929 0.553105 Li\n0.745976 0.011070 0.053105 Li\n0.254023 0.511070 0.553105 Li\n0.225696 0.250000 0.250000 Al\n0.774303 0.750000 0.750000 Al\n0.014662 0.250000 0.483405 O\n0.014662 0.250000 0.016595 O\n0.566908 0.987671 0.750000 O\n0.566908 0.512329 0.750000 O\n0.433091 0.487671 0.250000 O\n0.433091 0.012329 0.250000 O\n0.985337 0.750000 0.983405 O\n0.985337 0.750000 0.516596 O\n",
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"elements": [
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],
"chemical_system": "Al-Li-O",
"density": 2.237501715759575,
"density_atomic": 0.10720963231952474,
"volume": 186.5504019302345,
"volume_molar": 5.61716389629224,
"formula_full": "Li10 Al2 O8",
"formula_reduced": "Li5AlO4",
"formula_anonymous": "AB4C5",
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"spacegroup": 59
}
]
}