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{
"id": "jvasp-44064",
"created_at": "2022-09-04T14:35:44.718981Z",
"updated_at": "2022-09-04T14:35:44.719007Z",
"structure_string": "Na4 Co2 O6\n1.0\n2.588203 4.488308 -0.007215\n-2.588203 4.488308 0.007215\n-1.766756 0.000000 5.289101\nNa Co O\n4 2 6\ndirect\n0.157002 0.157003 0.500000 Na\n0.842998 0.842999 0.500000 Na\n0.500000 0.500001 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.667243 0.667243 -0.000000 Co\n0.332758 0.332758 -0.000000 Co\n0.309798 0.690202 0.801638 O\n0.067523 0.553163 0.197626 O\n0.446837 0.932477 0.197626 O\n0.932476 0.446838 0.802374 O\n0.553162 0.067524 0.802374 O\n0.690202 0.309799 0.198362 O\n",
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{
"id": "jvasp-63782",
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"updated_at": "2022-09-04T14:35:42.914588Z",
"structure_string": "Ho2 B4 C4\n1.0\n3.786635 0.000000 0.000000\n-0.000000 3.786635 0.000000\n0.000000 0.000000 7.135586\nHo B C\n2 4 4\ndirect\n0.000000 0.000000 0.250000 Ho\n0.000000 0.000000 0.750000 Ho\n0.499999 0.214820 0.500000 B\n0.499999 0.785179 0.500000 B\n0.785179 0.499999 0.000000 B\n0.214820 0.499999 0.000000 B\n0.187605 0.499999 0.500000 C\n0.812394 0.499999 0.500000 C\n0.499999 0.187605 0.000000 C\n0.499999 0.812394 0.000000 C\n",
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"formula_full": "Ho2 B4 C4",
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{
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"created_at": "2022-09-04T14:37:46.253881Z",
"updated_at": "2022-09-04T14:37:46.253901Z",
"structure_string": "Li1 Co2 Si1\n1.0\n0.000000 2.735236 2.735236\n2.735236 -0.000000 2.735236\n2.735236 2.735236 0.000000\nLi Co Si\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Li\n0.000000 0.000000 0.000000 Co\n0.500002 0.500002 0.500002 Co\n0.750001 0.750001 0.750001 Si\n",
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},
{
"id": "jvasp-112046",
"created_at": "2022-09-04T14:38:43.441912Z",
"updated_at": "2022-09-04T14:38:43.441930Z",
"structure_string": "Ti1 H2 C2 O6\n1.0\n4.411506 0.047577 1.967591\n1.334529 4.668161 2.811450\n0.137724 0.131865 5.606368\nTi H C O\n1 2 2 6\ndirect\n0.476893 0.238163 0.013433 Ti\n0.002412 0.672661 0.039018 H\n0.948981 0.212086 0.577420 H\n0.565502 0.791207 0.554846 C\n0.388020 0.696898 0.460514 C\n0.093047 0.465755 0.153744 O\n0.859813 0.097956 0.785066 O\n0.627687 0.036163 0.372395 O\n0.631193 0.624095 0.793618 O\n0.325995 0.879238 0.215494 O\n0.322265 0.458171 0.627628 O\n",
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"density_atomic": 0.0977224988583792,
"volume": 112.56363814377436,
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{
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"created_at": "2022-09-04T14:37:18.683102Z",
"updated_at": "2022-09-04T14:37:18.683132Z",
"structure_string": "Cr2 Co4 O12\n1.0\n4.901792 -0.000478 0.000000\n-2.463741 4.237635 -0.000000\n-0.000000 0.000000 8.868469\nCr Co O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.499999 0.500000 Cr\n0.166713 0.833286 0.500000 Co\n0.333286 0.666712 0.000000 Co\n0.666713 0.333286 0.000000 Co\n0.833286 0.166713 0.500000 Co\n0.500254 0.171211 0.393761 O\n0.829273 0.829273 0.393637 O\n0.328788 -0.000254 0.893761 O\n0.670725 0.670725 0.893637 O\n0.329274 0.329273 0.106363 O\n0.171211 0.500253 0.393761 O\n0.499745 0.828787 0.606239 O\n0.828788 0.499745 0.606239 O\n-0.000254 0.328788 0.893761 O\n0.000254 0.671211 0.106239 O\n0.170726 0.170726 0.606363 O\n0.671211 0.000254 0.106239 O\n",
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"formula_full": "Cr2 Co4 O12",
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"spacegroup": 64
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{
"id": "jvasp-47654",
"created_at": "2022-09-04T14:36:59.613091Z",
"updated_at": "2022-09-04T14:36:59.613116Z",
"structure_string": "Li8 Fe2 Si4 O14\n1.0\n0.000000 5.403579 0.000000\n-6.641914 2.701790 0.063587\n-0.581060 0.000000 7.989488\nLi Fe Si O\n8 2 4 14\ndirect\n0.737189 0.847558 0.876214 Li\n0.415253 0.847558 0.376214 Li\n0.881736 0.585394 0.592850 Li\n0.532871 0.585394 0.092850 Li\n0.126305 0.445188 0.945810 Li\n0.428507 0.445188 0.445810 Li\n0.186858 0.994315 0.023287 Li\n0.818827 0.994315 0.523287 Li\n0.688317 0.299933 0.797369 Fe\n0.011751 0.299933 0.297369 Fe\n0.258155 0.148576 0.669961 Si\n0.593270 0.148576 0.169961 Si\n0.306765 0.726626 0.738622 Si\n0.966610 0.726626 0.238622 Si\n0.578965 0.088738 0.707528 O\n0.214034 0.943384 0.602301 O\n0.842583 0.943384 0.102301 O\n0.427129 0.781420 0.905535 O\n0.791453 0.781420 0.405535 O\n0.045557 0.670887 0.772129 O\n0.283556 0.670887 0.272129 O\n0.539651 0.550033 0.640628 O\n0.910318 0.550033 0.140628 O\n0.148263 0.330690 0.519455 O\n0.521049 0.330690 0.019455 O\n0.080482 0.218234 0.837997 O\n0.701284 0.218234 0.337997 O\n0.332298 0.088738 0.207528 O\n",
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{
"id": "jvasp-39301",
"created_at": "2022-09-04T14:37:49.163568Z",
"updated_at": "2022-09-04T14:37:49.163588Z",
"structure_string": "Fe1 Rh1 O3\n1.0\n3.712511 -0.000000 0.000000\n0.000000 3.712519 0.000000\n0.000000 0.000000 3.712613\nFe Rh O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
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},
{
"id": "jvasp-47758",
"created_at": "2022-09-04T14:38:15.013288Z",
"updated_at": "2022-09-04T14:38:15.013302Z",
"structure_string": "Li1 Mn3 O6\n1.0\n0.215352 -4.922122 0.136675\n4.153693 2.649622 0.136675\n-1.692304 0.880229 4.763936\nLi Mn O\n1 3 6\ndirect\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Mn\n0.668716 0.331282 -0.000001 Mn\n0.331282 0.668716 -0.000001 Mn\n0.270558 0.270559 0.793678 O\n0.402632 0.075209 0.207720 O\n0.075209 0.402632 0.207720 O\n0.924790 0.597367 0.792279 O\n0.597367 0.924790 0.792279 O\n0.729441 0.729441 0.206321 O\n",
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"formula_full": "Li1 Mn3 O6",
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"structure_string": "Nb1 V1 C1 N1\n1.0\n2.942186 -0.000846 4.412884\n1.335585 2.621578 4.412884\n-0.001381 -0.000846 5.303772\nNb V C N\n1 1 1 1\ndirect\n0.745956 0.745951 0.745950 Nb\n0.258064 0.258062 0.258062 V\n0.992867 0.992860 0.992860 C\n0.503123 0.503120 0.503120 N\n",
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{
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{
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"structure_string": "Li2 Sc2 O4\n1.0\n3.890182 -0.000000 -1.592877\n-0.652220 3.835117 -1.592877\n-0.017142 -0.020304 5.504947\nLi Sc O\n2 2 4\ndirect\n0.875000 0.125001 0.750000 Li\n0.125000 0.875001 0.250000 Li\n0.625000 0.375000 0.250000 Sc\n0.375000 0.625001 0.750000 Sc\n0.144761 0.394761 0.289521 O\n0.394761 0.144761 0.789521 O\n0.605239 0.855240 0.210479 O\n0.855240 0.605241 0.710479 O\n",
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"formula_full": "Li2 Sc2 O4",
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}
]
}