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{
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"structure_string": "Li2 Ga1 Rh1\n1.0\n0.000000 3.003728 3.003728\n3.003728 0.000000 3.003728\n3.003728 3.003728 0.000000\nLi Ga Rh\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Rh\n",
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{
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{
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"structure_string": "Ce16 O24\n1.0\n-5.552815 5.552815 5.552815\n5.552815 -5.552815 5.552815\n5.552815 5.552815 -5.552815\nCe O\n16 24\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.500000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.500000 0.000000 0.000000 Ce\n0.228563 0.978563 0.250000 Ce\n0.521437 0.750000 0.271437 Ce\n0.750000 0.271437 0.521437 Ce\n0.978563 0.250000 0.228563 Ce\n0.250000 0.228563 0.978563 Ce\n0.271437 0.521437 0.750000 Ce\n0.771437 0.021437 0.750000 Ce\n0.478563 0.250000 0.728563 Ce\n0.250000 0.728563 0.478563 Ce\n0.021437 0.750000 0.771437 Ce\n0.750000 0.771437 0.021437 Ce\n0.728563 0.478563 0.250000 Ce\n0.764640 0.532285 0.523085 O\n0.967715 0.732354 0.990800 O\n0.767646 0.735360 0.258445 O\n0.241555 0.976915 0.509200 O\n0.732354 0.990800 0.967715 O\n0.258445 0.767646 0.735360 O\n0.976915 0.509200 0.241555 O\n0.523085 0.764640 0.532285 O\n0.532285 0.523085 0.764640 O\n0.990800 0.967715 0.732354 O\n0.735360 0.258445 0.767646 O\n0.509200 0.241555 0.976915 O\n0.235360 0.467715 0.476915 O\n0.032285 0.267646 0.009200 O\n0.232354 0.264640 0.741555 O\n0.758445 0.023085 0.490800 O\n0.267646 0.009200 0.032285 O\n0.741555 0.232354 0.264640 O\n0.023085 0.490800 0.758445 O\n0.476915 0.235360 0.467715 O\n0.467715 0.476915 0.235360 O\n0.009200 0.032285 0.267646 O\n0.264640 0.741555 0.232354 O\n0.490800 0.758445 0.023085 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ce-O",
"density": 6.366753222663942,
"density_atomic": 0.058406392989304265,
"volume": 684.8565362926117,
"volume_molar": 10.310756154900393,
"formula_full": "Ce16 O24",
"formula_reduced": "Ce2O3",
"formula_anonymous": "A2B3",
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -347.98431325,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 15.991795,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.431000Z",
"spacegroup": 206
},
{
"id": "mp-555582",
"created_at": "2022-09-04T14:42:39.953799Z",
"structure_string": "C24 Se2 F20\n1.0\n7.630529 0.000000 0.000000\n0.000000 9.460973 0.000000\n0.000000 2.723767 9.244474\nC Se F\n24 2 20\ndirect\n0.336905 0.453012 0.701282 C\n0.306088 0.545302 0.788455 C\n0.635050 0.434260 0.169640 C\n0.450211 0.927938 0.886483 C\n0.200755 0.377696 0.655923 C\n0.570514 0.095024 0.617426 C\n0.682011 0.993479 0.709089 C\n0.530499 0.600222 0.300765 C\n0.806088 0.454698 0.211545 C\n0.122263 0.089209 0.155454 C\n0.622263 0.910791 0.844546 C\n0.182011 0.006521 0.290911 C\n0.700755 0.622304 0.344077 C\n0.898148 0.885216 0.342584 C\n0.839791 0.972574 0.208036 C\n0.398148 0.114784 0.657416 C\n0.996671 0.492679 0.785685 C\n0.030499 0.399778 0.699235 C\n0.339791 0.027426 0.791964 C\n0.836905 0.546988 0.298718 C\n0.135050 0.565740 0.830360 C\n0.496671 0.507321 0.214315 C\n0.070514 0.904976 0.382574 C\n0.950211 0.072062 0.113517 C\n0.244942 0.255427 0.529811 Se\n0.744942 0.744573 0.470189 Se\n0.672763 0.962051 0.165918 F\n0.847372 0.974340 0.667869 F\n0.003885 0.561415 0.339807 F\n0.603459 0.342850 0.088126 F\n0.831819 0.512589 0.826692 F\n0.890786 0.153163 0.983719 F\n0.940053 0.382725 0.169905 F\n0.103459 0.657150 0.911874 F\n0.347372 0.025660 0.332131 F\n0.893047 0.331903 0.657224 F\n0.390786 0.846837 0.016281 F\n0.172763 0.037949 0.834082 F\n0.229604 0.186886 0.066715 F\n0.440053 0.617275 0.830095 F\n0.503885 0.438585 0.660193 F\n0.393047 0.668097 0.342776 F\n0.634414 0.174108 0.487978 F\n0.134414 0.825892 0.512022 F\n0.729604 0.813114 0.933285 F\n0.331819 0.487411 0.173308 F\n",
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"elements": [
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"Se",
"F"
],
"chemical_system": "C-F-Se",
"density": 2.0555717906674458,
"density_atomic": 0.06892633333834727,
"volume": 667.3791825570363,
"volume_molar": 8.737068212287411,
"formula_full": "C24 Se2 F20",
"formula_reduced": "C12SeF10",
"formula_anonymous": "AB10C12",
"energy": -307.71077303000004,
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"total_magnetization": 0.0,
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"updated_at": "2021-11-28T01:35:51.989000Z",
"spacegroup": 4
}
]
}