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{
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"structure_string": "Ca4 Al6 Cr1 O16\n1.0\n-4.652632 4.652632 4.717796\n4.652632 -4.652632 4.717796\n4.652632 4.652632 -4.717796\nCa Al Cr O\n4 6 1 16\ndirect\n0.579425 0.006438 0.018563 Ca\n0.993562 0.012126 0.572987 Ca\n0.987874 0.560861 0.981437 Ca\n0.439139 0.420575 0.427013 Ca\n0.491732 0.747462 0.246361 Al\n0.250000 0.750000 0.500000 Al\n0.754629 0.508268 0.255730 Al\n0.750000 0.250000 0.500000 Al\n0.501101 0.245371 0.753639 Al\n0.252538 0.498899 0.744270 Al\n0.000000 0.000000 0.000000 Cr\n0.405692 0.997204 0.714454 O\n0.700220 0.305421 0.302694 O\n0.397848 0.705108 0.995562 O\n0.694579 0.997273 0.394799 O\n0.002796 0.717250 0.408488 O\n0.294892 0.290454 0.692741 O\n0.282750 0.691238 0.285546 O\n0.002727 0.397526 0.697306 O\n0.709546 0.402287 0.004438 O\n0.602474 0.299780 0.605201 O\n0.308762 0.594308 0.591512 O\n0.597713 0.602152 0.307259 O\n0.906253 0.044629 0.154291 O\n0.955371 0.109662 0.861624 O\n0.890338 0.751962 0.845709 O\n0.248038 0.093747 0.138376 O\n",
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"elements": [
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],
"chemical_system": "Al-Ca-Cr-O",
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"volume_molar": 9.111370231279768,
"formula_full": "Ca4 Al6 Cr1 O16",
"formula_reduced": "Ca4Al6CrO16",
"formula_anonymous": "AB4C6D16",
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"updated_at": "2021-11-28T01:34:47.512000Z",
"spacegroup": 82
},
{
"id": "mp-1218220",
"created_at": "2022-09-04T14:40:10.124382Z",
"structure_string": "Sr2 La2 Al6 O14\n1.0\n5.617558 -5.634159 0.000000\n5.617558 5.634159 0.000000\n0.000000 0.000000 5.287861\nSr La Al O\n2 2 6 14\ndirect\n0.662097 0.662097 0.489814 Sr\n0.337903 0.337903 0.489814 Sr\n0.835810 0.164190 0.510156 La\n0.164190 0.835810 0.510156 La\n0.858061 0.858061 0.038509 Al\n0.643352 0.356648 0.961876 Al\n0.141939 0.141939 0.038509 Al\n0.356648 0.643352 0.961876 Al\n0.500000 0.000000 0.999733 Al\n0.000000 0.500000 0.999733 Al\n0.666143 0.917987 0.186503 O\n0.837798 0.409742 0.808722 O\n0.333857 0.082013 0.186503 O\n0.162202 0.590258 0.808722 O\n0.409742 0.837798 0.808722 O\n0.082013 0.333857 0.186503 O\n0.590258 0.162202 0.808722 O\n0.917987 0.666143 0.186503 O\n0.867806 0.867806 0.707306 O\n0.650644 0.349356 0.291576 O\n0.132194 0.132194 0.707306 O\n0.349356 0.650644 0.291576 O\n0.500000 0.500000 0.833464 O\n0.000000 0.000000 0.187697 O\n",
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"elements": [
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],
"chemical_system": "Al-La-O-Sr",
"density": 4.16187516416811,
"density_atomic": 0.07170089083653394,
"volume": 334.723874696564,
"volume_molar": 8.398976204813794,
"formula_full": "Sr2 La2 Al6 O14",
"formula_reduced": "SrLaAl3O7",
"formula_anonymous": "ABC3D7",
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"updated_at": "2021-11-28T01:34:53.992000Z",
"spacegroup": 35
},
{
"id": "mp-1189887",
"created_at": "2022-09-04T14:40:10.370937Z",
"structure_string": "Dy12 Os4\n1.0\n6.331618 0.000000 0.000000\n0.000000 7.385165 0.000000\n0.000000 0.000000 9.098308\nDy Os\n12 4\ndirect\n0.330859 0.675118 0.063323 Dy\n0.169141 0.175118 0.436677 Dy\n0.669141 0.324882 0.563323 Dy\n0.830859 0.824882 0.936677 Dy\n0.669141 0.324882 0.936677 Dy\n0.830859 0.824882 0.563323 Dy\n0.330859 0.675118 0.436677 Dy\n0.169141 0.175118 0.063323 Dy\n0.868232 0.538833 0.250000 Dy\n0.631768 0.038833 0.250000 Dy\n0.131768 0.461167 0.750000 Dy\n0.368232 0.961167 0.750000 Dy\n0.039332 0.883493 0.250000 Os\n0.460668 0.383493 0.250000 Os\n0.960668 0.116507 0.750000 Os\n0.539332 0.616507 0.750000 Os\n",
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"nelements": 2,
"elements": [
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],
"chemical_system": "Dy-Os",
"density": 10.581086300100713,
"density_atomic": 0.03760836387052935,
"volume": 425.4372791935763,
"volume_molar": 16.012769874094598,
"formula_full": "Dy12 Os4",
"formula_reduced": "Dy3Os",
"formula_anonymous": "AB3",
"energy": -104.29847173,
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"energy_uncorrected": -104.29847173,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:48.940000Z",
"spacegroup": 62
}
]
}