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{
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{
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{
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{
"id": "mp-1217566",
"created_at": "2022-09-04T14:47:57.218471Z",
"structure_string": "Ti8 Nb2 Bi14 O42\n1.0\n2.757493 29.643172 0.000000\n-2.757493 29.643172 0.000000\n0.000000 0.486557 5.433758\nTi Nb Bi O\n8 2 14 42\ndirect\n0.386829 0.466950 0.573346 Ti\n0.533050 0.613172 0.426654 Ti\n0.033139 0.113177 0.927262 Ti\n0.886823 0.966861 0.072738 Ti\n0.464493 0.535507 0.500000 Ti\n0.964627 0.035373 0.000000 Ti\n0.742628 0.832605 0.714071 Ti\n0.167394 0.257372 0.285929 Ti\n0.664430 0.760683 0.782699 Nb\n0.239317 0.335570 0.217301 Nb\n0.252268 0.247328 0.745765 Bi\n0.752672 0.747732 0.254235 Bi\n0.342128 0.329682 0.684872 Bi\n0.670318 0.657872 0.315128 Bi\n0.166772 0.161704 0.864644 Bi\n0.838296 0.833228 0.135356 Bi\n0.880815 0.878051 0.595458 Bi\n0.121949 0.119185 0.404542 Bi\n0.619391 0.621812 0.854605 Bi\n0.378188 0.380609 0.145395 Bi\n0.972558 0.951715 0.538777 Bi\n0.048285 0.027442 0.461223 Bi\n0.548203 0.527524 0.962758 Bi\n0.472476 0.451797 0.037242 Bi\n0.915522 0.658578 0.411260 O\n0.341422 0.084478 0.588740 O\n0.846488 0.579369 0.480517 O\n0.420631 0.153512 0.519483 O\n0.171553 0.817510 0.260923 O\n0.182490 0.828447 0.739077 O\n0.682480 0.328478 0.750083 O\n0.671522 0.317520 0.249917 O\n0.757034 0.877854 0.751524 O\n0.122146 0.242966 0.248476 O\n0.623694 0.739115 0.883615 O\n0.260885 0.376306 0.116385 O\n0.382786 0.551017 0.607010 O\n0.448983 0.617214 0.392990 O\n0.948661 0.117517 0.041089 O\n0.882483 0.051339 0.958911 O\n0.578804 0.280209 0.863983 O\n0.719791 0.421196 0.136017 O\n0.219728 0.921194 0.223736 O\n0.078806 0.780272 0.776264 O\n0.493453 0.062301 0.006944 O\n0.937699 0.506547 0.993056 O\n0.435022 0.009270 0.063167 O\n0.990730 0.564978 0.936833 O\n0.352096 0.442230 0.543173 O\n0.557770 0.647904 0.456827 O\n0.059112 0.146568 0.838544 O\n0.853432 0.940888 0.161456 O\n0.152083 0.721982 0.288077 O\n0.278018 0.847917 0.711923 O\n0.777970 0.347970 0.662630 O\n0.652030 0.222030 0.337370 O\n0.595435 0.120719 0.896554 O\n0.879281 0.404565 0.103446 O\n0.379077 0.904811 0.115282 O\n0.095189 0.620923 0.884718 O\n0.659113 0.840587 0.670579 O\n0.159413 0.340887 0.329421 O\n0.093646 0.620645 0.386939 O\n0.379355 0.906354 0.613061 O\n0.878900 0.406783 0.602996 O\n0.593217 0.121100 0.397004 O\n",
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{
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"structure_string": "Dy4 Si10 Rh6\n1.0\n5.904688 5.570139 0.000000\n-5.904688 5.570139 0.000000\n0.000000 2.688734 5.018141\nDy Si Rh\n4 10 6\ndirect\n0.866942 0.597991 0.761890 Dy\n0.402009 0.133058 0.738110 Dy\n0.133058 0.402009 0.238110 Dy\n0.597991 0.866942 0.261890 Dy\n0.058817 0.266223 0.837755 Si\n0.733777 0.941183 0.662245 Si\n0.941183 0.733777 0.162245 Si\n0.266223 0.058817 0.337755 Si\n0.209694 0.790306 0.750000 Si\n0.790306 0.209694 0.250000 Si\n0.511658 0.488342 0.750000 Si\n0.488342 0.511658 0.250000 Si\n0.777146 0.222854 0.750000 Si\n0.222854 0.777146 0.250000 Si\n0.260325 0.540432 0.624984 Rh\n0.459568 0.739675 0.875016 Rh\n0.739675 0.459568 0.375016 Rh\n0.540432 0.260325 0.124984 Rh\n0.001783 0.998217 0.750000 Rh\n0.998217 0.001783 0.250000 Rh\n",
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"density_atomic": 0.06058905130174267,
"volume": 330.0926416622199,
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"formula_full": "Dy4 Si10 Rh6",
"formula_reduced": "Dy2Si5Rh3",
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"updated_at": "2021-11-28T01:38:19.522000Z",
"spacegroup": 15
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{
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"created_at": "2022-09-04T14:45:03.978043Z",
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"volume": 222.63643892249038,
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"formula_full": "Ce4 In2 Cu4",
"formula_reduced": "Ce2InCu2",
"formula_anonymous": "AB2C2",
"energy": -48.07937416,
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"updated_at": "2021-11-28T01:36:48.808000Z",
"spacegroup": 127
},
{
"id": "mp-867756",
"created_at": "2022-09-04T14:41:19.549639Z",
"structure_string": "Sc2 Cu1 Au1\n1.0\n0.000000 3.342827 3.342827\n3.342827 0.000000 3.342827\n3.342827 3.342827 0.000000\nSc Cu Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Au\n",
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"elements": [
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"chemical_system": "Au-Cu-Sc",
"density": 7.788821080268839,
"density_atomic": 0.053541223559792205,
"volume": 74.70878949064354,
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"formula_full": "Sc2 Cu1 Au1",
"formula_reduced": "Sc2CuAu",
"formula_anonymous": "ABC2",
"energy": -22.21303896,
"energy_per_atom": -5.55325974,
"energy_above_hull": null,
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"energy_uncorrected": -22.21303896,
"band_gap": 0.0,
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"total_magnetization": 0.0003582,
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"updated_at": "2021-11-28T01:35:16.113000Z",
"spacegroup": 225
}
]
}