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{
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{
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{
"id": "mp-1042920",
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"structure_string": "Ca4 W6 O16\n1.0\n6.520364 0.000000 0.000000\n-3.260183 5.646801 0.000000\n0.000000 0.000000 10.321263\nCa W O\n4 6 16\ndirect\n0.666667 0.333334 0.029887 Ca\n0.333333 0.666666 0.529888 Ca\n0.666667 0.333334 0.417099 Ca\n0.333333 0.666666 0.917100 Ca\n0.671132 0.835567 0.245117 W\n0.835568 0.164434 0.745117 W\n0.164434 0.328869 0.245117 W\n0.835566 0.671132 0.745117 W\n0.328869 0.164434 0.745117 W\n0.164434 0.835567 0.245117 W\n0.840677 0.159324 0.154577 O\n0.681354 0.840677 0.654576 O\n0.159324 0.318647 0.654576 O\n0.840676 0.681354 0.154577 O\n0.318646 0.159324 0.154577 O\n0.159324 0.840677 0.654576 O\n0.524849 0.475150 0.854188 O\n0.049699 0.524849 0.354187 O\n0.475151 0.950302 0.354187 O\n0.524849 0.049699 0.854188 O\n0.000000 0.000000 0.346538 O\n0.000000 0.000000 0.846538 O\n0.333333 0.666666 0.138331 O\n0.950300 0.475150 0.854188 O\n0.475150 0.524849 0.354187 O\n0.666667 0.333334 0.638331 O\n",
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{
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{
"id": "mp-1180125",
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"structure_string": "Ni1 S1 O9\n1.0\n5.478905 0.000000 0.000000\n-0.453675 -5.903655 0.000000\n-2.448246 0.104774 -5.662091\nNi S O\n1 1 9\ndirect\n0.981914 0.018123 0.960594 Ni\n0.164820 0.529819 0.054769 S\n0.839233 0.351942 0.955431 O\n0.649845 0.860469 0.733995 O\n0.100432 0.731041 0.155294 O\n0.930384 0.030556 0.488982 O\n0.543848 0.685965 0.802612 O\n0.666410 0.435792 0.744948 O\n0.301279 0.370113 0.274062 O\n0.103062 0.003342 0.695539 O\n0.326774 0.178839 0.133774 O\n",
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{
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{
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"structure_string": "K8 Ru4 Br24\n1.0\n7.450103 0.000000 0.000000\n0.000000 10.681381 0.000000\n0.000000 0.000000 14.936404\nK Ru Br\n8 4 24\ndirect\n0.840820 0.499502 0.355264 K\n0.659180 0.499502 0.855264 K\n0.340820 0.999502 0.144736 K\n0.659180 0.000498 0.855264 K\n0.159180 0.999502 0.644736 K\n0.159180 0.500498 0.644736 K\n0.340820 0.500498 0.144736 K\n0.840820 0.000498 0.355264 K\n0.691328 0.750000 0.618537 Ru\n0.191328 0.250000 0.881463 Ru\n0.308672 0.250000 0.381463 Ru\n0.808672 0.750000 0.118537 Ru\n0.428147 0.750000 0.725325 Br\n0.400458 0.250000 0.747431 Br\n0.199180 0.015489 0.878037 Br\n0.699180 0.515489 0.621963 Br\n0.459481 0.250000 0.985924 Br\n0.040519 0.250000 0.485924 Br\n0.800820 0.984511 0.121963 Br\n0.071853 0.750000 0.225325 Br\n0.300820 0.015489 0.378037 Br\n0.199180 0.484511 0.878037 Br\n0.099542 0.250000 0.247431 Br\n0.699180 0.984511 0.621963 Br\n0.800820 0.515489 0.121963 Br\n0.900458 0.750000 0.752569 Br\n0.959481 0.750000 0.514076 Br\n0.540519 0.750000 0.014076 Br\n0.571853 0.250000 0.274675 Br\n0.599542 0.750000 0.252569 Br\n0.928147 0.250000 0.774675 Br\n0.300820 0.484511 0.378037 Br\n0.014244 0.750000 0.991956 Br\n0.514244 0.250000 0.508044 Br\n0.485756 0.750000 0.491956 Br\n0.985756 0.250000 0.008044 Br\n",
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{
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},
{
"id": "mp-1185108",
"created_at": "2022-09-04T14:39:28.790965Z",
"structure_string": "K3 Zr1\n1.0\n5.945283 0.000000 0.000000\n0.000000 5.945283 0.000000\n0.000000 0.000000 5.945283\nK Zr\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Zr\n",
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"elements": [
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],
"chemical_system": "K-Zr",
"density": 1.647695388072237,
"density_atomic": 0.019034540389389915,
"volume": 210.14429128163496,
"volume_molar": 31.637962550211167,
"formula_full": "K3 Zr1",
"formula_reduced": "K3Zr",
"formula_anonymous": "AB3",
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"decomposes_to": null,
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"energy_uncorrected": -7.95200286,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:37.742000Z",
"spacegroup": 221
},
{
"id": "mp-1076286",
"created_at": "2022-09-04T14:39:28.795081Z",
"structure_string": "Eu4 Cr4 O10\n1.0\n-2.746039 2.805378 7.876417\n2.746039 -2.805378 7.876417\n2.746039 2.805378 -7.876417\nEu Cr O\n4 4 10\ndirect\n0.875944 0.384321 0.480110 Eu\n0.124056 0.604166 0.508378 Eu\n0.404212 0.884321 0.508378 Eu\n0.595788 0.104166 0.480110 Eu\n0.000000 0.990283 0.990283 Cr\n0.500000 0.490283 0.990283 Cr\n0.795448 0.774403 0.069851 Cr\n0.204552 0.274403 0.978955 Cr\n0.758977 0.756135 0.489019 O\n0.241023 0.730042 0.997158 O\n0.767116 0.256135 0.997158 O\n0.232884 0.230042 0.489019 O\n0.818166 0.847648 0.924926 O\n0.181834 0.106760 0.029481 O\n0.422722 0.347648 0.029481 O\n0.577278 0.606760 0.924926 O\n0.857867 0.142242 0.500108 O\n0.142133 0.642242 0.284375 O\n",
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"elements": [
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],
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"density": 6.676339934060399,
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"volume": 242.70950247236343,
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"formula_full": "Eu4 Cr4 O10",
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}
]
}