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{
"id": "mp-1205973",
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{
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{
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{
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{
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"structure_string": "Pr1 Cr1 O3\n1.0\n3.886788 0.000000 0.000000\n0.000000 3.886788 0.000000\n0.000000 0.000000 3.886788\nPr Cr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Eu9 Pd6\n1.0\n6.407243 -4.646700 0.000000\n6.407243 4.646700 0.000000\n3.037335 0.000000 7.308842\nEu Pd\n9 6\ndirect\n0.500000 0.500000 0.500000 Eu\n0.705051 0.705051 0.705051 Eu\n0.294949 0.294949 0.294949 Eu\n0.889424 0.168417 0.661446 Eu\n0.661446 0.889424 0.168417 Eu\n0.168417 0.661446 0.889424 Eu\n0.110576 0.831583 0.338554 Eu\n0.338554 0.110576 0.831583 Eu\n0.831583 0.338554 0.110576 Eu\n0.909596 0.540555 0.349944 Pd\n0.349944 0.909596 0.540555 Pd\n0.540555 0.349944 0.909596 Pd\n0.090404 0.459445 0.650056 Pd\n0.650056 0.090404 0.459445 Pd\n0.459445 0.650056 0.090404 Pd\n",
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{
"id": "mp-1233401",
"created_at": "2022-09-04T14:44:17.258491Z",
"structure_string": "Ca1 Ti3 V5 O16\n1.0\n6.063654 -0.012252 -0.008328\n-3.032521 5.240964 0.051619\n0.002423 0.103844 9.258379\nCa Ti V O\n1 3 5 16\ndirect\n0.336314 0.653520 0.875572 Ca\n0.135996 0.796397 0.221945 Ti\n0.182660 0.310474 0.224217 Ti\n0.349040 0.168988 0.694101 Ti\n0.350229 0.679004 0.478117 V\n0.676009 0.836724 0.217714 V\n0.674142 0.322032 0.002840 V\n0.838297 0.157279 0.708722 V\n0.841398 0.663883 0.707778 V\n0.177974 0.822449 0.616987 O\n0.053500 0.522615 0.352065 O\n0.326607 0.666352 0.113276 O\n0.019659 0.996535 0.327074 O\n0.004170 0.990386 0.807596 O\n0.177643 0.345683 0.616857 O\n0.481585 0.944986 0.357286 O\n0.471451 0.516893 0.349384 O\n0.343418 0.167587 0.114972 O\n0.657108 0.820041 0.617691 O\n0.541543 0.459574 0.833562 O\n0.545819 0.055930 0.833851 O\n0.669827 0.328536 0.599450 O\n0.835097 0.658355 0.113956 O\n0.939034 0.459802 0.834824 O\n0.850649 0.177003 0.117314 O\n",
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{
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"structure_string": "Tc6 Ge2\n1.0\n2.737030 -4.740675 0.000000\n2.737030 4.740675 0.000000\n0.000000 0.000000 4.478654\nTc Ge\n6 2\ndirect\n0.169650 0.339299 0.250000 Tc\n0.660701 0.830350 0.250000 Tc\n0.169650 0.830350 0.250000 Tc\n0.830350 0.660701 0.750000 Tc\n0.339299 0.169650 0.750000 Tc\n0.830350 0.169650 0.750000 Tc\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n",
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{
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{
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{
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{
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"formula_full": "Ac1 Cr1 O3",
"formula_reduced": "AcCrO3",
"formula_anonymous": "ABC3",
"energy": -44.31296614,
"energy_per_atom": -8.862593228,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.25296614,
"band_gap": 2.0031000000000008,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000498,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.500000Z",
"spacegroup": 221
}
]
}