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{
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{
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{
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"created_at": "2022-09-04T14:46:39.919511Z",
"structure_string": "Eu12 Ga20 O48\n1.0\n-6.317950 6.317950 6.317950\n6.317950 -6.317950 6.317950\n6.317950 6.317950 -6.317950\nEu Ga O\n12 20 48\ndirect\n0.250000 0.375000 0.125000 Eu\n0.750000 0.625000 0.875000 Eu\n0.750000 0.125000 0.375000 Eu\n0.125000 0.250000 0.375000 Eu\n0.375000 0.750000 0.125000 Eu\n0.250000 0.875000 0.625000 Eu\n0.875000 0.750000 0.625000 Eu\n0.625000 0.250000 0.875000 Eu\n0.375000 0.125000 0.250000 Eu\n0.625000 0.875000 0.750000 Eu\n0.125000 0.375000 0.750000 Eu\n0.875000 0.625000 0.250000 Eu\n0.250000 0.625000 0.375000 Ga\n0.750000 0.375000 0.625000 Ga\n0.750000 0.875000 0.125000 Ga\n0.375000 0.250000 0.625000 Ga\n0.625000 0.750000 0.375000 Ga\n0.250000 0.125000 0.875000 Ga\n0.125000 0.750000 0.875000 Ga\n0.875000 0.250000 0.125000 Ga\n0.625000 0.375000 0.250000 Ga\n0.375000 0.625000 0.750000 Ga\n0.875000 0.125000 0.750000 Ga\n0.125000 0.875000 0.250000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.476244 0.380129 0.298113 O\n0.523756 0.619871 0.701887 O\n0.582017 0.178131 0.201887 O\n0.917983 0.119871 0.596114 O\n0.298113 0.476244 0.380129 O\n0.321869 0.917983 0.298113 O\n0.417983 0.821869 0.798113 O\n0.082017 0.880129 0.403886 O\n0.701887 0.523756 0.619871 O\n0.678131 0.082017 0.701887 O\n0.023756 0.321869 0.903886 O\n0.201887 0.582017 0.178131 O\n0.119871 0.023756 0.201887 O\n0.976244 0.678131 0.096114 O\n0.798113 0.417983 0.821869 O\n0.880129 0.976244 0.798113 O\n0.596114 0.917983 0.119871 O\n0.178131 0.476244 0.596114 O\n0.403886 0.082017 0.880129 O\n0.821869 0.523756 0.403886 O\n0.903886 0.023756 0.321869 O\n0.380129 0.582017 0.903886 O\n0.096114 0.976244 0.678131 O\n0.619871 0.417983 0.096114 O\n0.380129 0.298113 0.476244 O\n0.582017 0.903886 0.380129 O\n0.619871 0.701887 0.523756 O\n0.417983 0.096114 0.619871 O\n0.119871 0.596114 0.917983 O\n0.023756 0.201887 0.119871 O\n0.880129 0.403886 0.082017 O\n0.976244 0.798113 0.880129 O\n0.321869 0.903886 0.023756 O\n0.917983 0.298113 0.321869 O\n0.678131 0.096114 0.976244 O\n0.082017 0.701887 0.678131 O\n0.178131 0.201887 0.582017 O\n0.476244 0.596114 0.178131 O\n0.821869 0.798113 0.417983 O\n0.523756 0.403886 0.821869 O\n0.298113 0.321869 0.917983 O\n0.701887 0.678131 0.082017 O\n0.201887 0.119871 0.023756 O\n0.798113 0.880129 0.976244 O\n0.903886 0.380129 0.582017 O\n0.096114 0.619871 0.417983 O\n0.596114 0.178131 0.476244 O\n0.403886 0.821869 0.523756 O\n",
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"formula_full": "Eu12 Ga20 O48",
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{
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"structure_string": "Ba20 Zn5 Hg99\n1.0\n0.000000 12.094831 12.094831\n12.094831 0.000000 12.094831\n12.094831 12.094831 0.000000\nBa Zn Hg\n20 5 99\ndirect\n0.596618 0.596618 0.210145 Ba\n0.596618 0.210145 0.596618 Ba\n0.210145 0.596618 0.596618 Ba\n0.596618 0.596618 0.596618 Ba\n0.843829 0.843829 0.468512 Ba\n0.843829 0.468512 0.843829 Ba\n0.468512 0.843829 0.843829 Ba\n0.843829 0.843829 0.843829 Ba\n0.185150 0.185150 0.814850 Ba\n0.814850 0.185150 0.814850 Ba\n0.185150 0.814850 0.814850 Ba\n0.814850 0.814850 0.185150 Ba\n0.185150 0.814850 0.185150 Ba\n0.814850 0.185150 0.185150 Ba\n0.051378 0.051378 0.448622 Ba\n0.448622 0.051378 0.448622 Ba\n0.051378 0.448622 0.448622 Ba\n0.448622 0.448622 0.051378 Ba\n0.051378 0.448622 0.051378 Ba\n0.448622 0.051378 0.051378 Ba\n0.000000 0.000000 0.000000 Zn\n0.130850 0.130850 0.607449 Zn\n0.130850 0.607449 0.130850 Zn\n0.607449 0.130850 0.130850 Zn\n0.130850 0.130850 0.130850 Zn\n0.417647 0.826255 0.108347 Hg\n0.647751 0.417648 0.108347 Hg\n0.826255 0.647751 0.108347 Hg\n0.647751 0.826255 0.108347 Hg\n0.826255 0.417648 0.108347 Hg\n0.417647 0.647751 0.108347 Hg\n0.647751 0.108347 0.826255 Hg\n0.826255 0.108347 0.417647 Hg\n0.417648 0.108347 0.647751 Hg\n0.417648 0.108347 0.826255 Hg\n0.647751 0.108347 0.417647 Hg\n0.826255 0.108347 0.647751 Hg\n0.108347 0.647751 0.417648 Hg\n0.108347 0.826255 0.647751 Hg\n0.108347 0.417648 0.826255 Hg\n0.108347 0.417648 0.647751 Hg\n0.108347 0.647751 0.826255 Hg\n0.108347 0.826255 0.417647 Hg\n0.826255 0.417648 0.647751 Hg\n0.417647 0.647751 0.826255 Hg\n0.647751 0.826255 0.417647 Hg\n0.826255 0.647751 0.417647 Hg\n0.417648 0.826255 0.647751 Hg\n0.647751 0.417647 0.826255 Hg\n0.617709 0.795616 0.968966 Hg\n0.617709 0.617709 0.968966 Hg\n0.795616 0.617709 0.968966 Hg\n0.617709 0.968966 0.795616 Hg\n0.795616 0.968966 0.617709 Hg\n0.617709 0.968966 0.617709 Hg\n0.968966 0.617709 0.617709 Hg\n0.968966 0.795616 0.617709 Hg\n0.968966 0.617709 0.795616 Hg\n0.795616 0.617709 0.617709 Hg\n0.617709 0.617709 0.795616 Hg\n0.617709 0.795616 0.617709 Hg\n0.999133 0.295017 0.706716 Hg\n0.999133 0.999133 0.706716 Hg\n0.295017 0.999133 0.706716 Hg\n0.999133 0.706716 0.295017 Hg\n0.295017 0.706716 0.999133 Hg\n0.999133 0.706716 0.999133 Hg\n0.706716 0.999133 0.999133 Hg\n0.706716 0.295017 0.999133 Hg\n0.706716 0.999133 0.295017 Hg\n0.295017 0.999133 0.999133 Hg\n0.999133 0.999133 0.295017 Hg\n0.999133 0.295017 0.999133 Hg\n0.452924 0.827196 0.266956 Hg\n0.452924 0.452924 0.266956 Hg\n0.827196 0.452924 0.266956 Hg\n0.452924 0.266956 0.827196 Hg\n0.827196 0.266956 0.452924 Hg\n0.452924 0.266956 0.452924 Hg\n0.266956 0.452924 0.452924 Hg\n0.266956 0.827196 0.452924 Hg\n0.266956 0.452924 0.827196 Hg\n0.827196 0.452924 0.452924 Hg\n0.452924 0.452924 0.827196 Hg\n0.452924 0.827196 0.452924 Hg\n0.201235 0.201235 0.396295 Hg\n0.201235 0.396295 0.201235 Hg\n0.396295 0.201235 0.201235 Hg\n0.201235 0.201235 0.201235 Hg\n0.326561 0.326561 0.020317 Hg\n0.326561 0.020317 0.326561 Hg\n0.020317 0.326561 0.326561 Hg\n0.326561 0.326561 0.326561 Hg\n0.453849 0.453849 0.638454 Hg\n0.453849 0.638454 0.453849 Hg\n0.638454 0.453849 0.453849 Hg\n0.453849 0.453849 0.453849 Hg\n0.064136 0.064136 0.807593 Hg\n0.064136 0.807593 0.064136 Hg\n0.807593 0.064136 0.064136 Hg\n0.064136 0.064136 0.064136 Hg\n0.928779 0.928779 0.213664 Hg\n0.928779 0.213664 0.928779 Hg\n0.213664 0.928779 0.928779 Hg\n0.928779 0.928779 0.928779 Hg\n0.236452 0.966426 0.560670 Hg\n0.236452 0.236452 0.560670 Hg\n0.966426 0.236452 0.560670 Hg\n0.236452 0.560670 0.966426 Hg\n0.966426 0.560670 0.236452 Hg\n0.236452 0.560670 0.236452 Hg\n0.560670 0.236452 0.236452 Hg\n0.560670 0.966426 0.236452 Hg\n0.560670 0.236452 0.966426 Hg\n0.966426 0.236452 0.236452 Hg\n0.236452 0.236452 0.966426 Hg\n0.236452 0.966426 0.236452 Hg\n0.326630 0.326630 0.673370 Hg\n0.673370 0.326630 0.673370 Hg\n0.326630 0.673370 0.673370 Hg\n0.673370 0.673370 0.326630 Hg\n0.326630 0.673370 0.326630 Hg\n0.673370 0.326630 0.326630 Hg\n0.750000 0.750000 0.750000 Hg\n",
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"elements": [
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"Zn",
"Hg"
],
"chemical_system": "Ba-Hg-Zn",
"density": 10.7612204202169,
"density_atomic": 0.03504227361661585,
"volume": 3538.5831797513115,
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"formula_full": "Ba20 Zn5 Hg99",
"formula_reduced": "Ba20Zn5Hg99",
"formula_anonymous": "A5B20C99",
"energy": -111.30668816,
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"updated_at": "2021-11-28T01:37:47.791000Z",
"spacegroup": 216
},
{
"id": "mp-1192532",
"created_at": "2022-09-04T14:46:37.839669Z",
"structure_string": "Si10 H20\n1.0\n13.887445 0.000000 0.000000\n0.000000 5.311044 0.000000\n0.000000 1.361008 7.305451\nSi H\n10 20\ndirect\n0.750000 0.544300 0.584856 Si\n0.250000 0.455700 0.415144 Si\n0.612519 0.318809 0.714058 Si\n0.112519 0.681191 0.285942 Si\n0.387481 0.681191 0.285942 Si\n0.887481 0.318809 0.714058 Si\n0.665240 0.070121 0.993245 Si\n0.165240 0.929879 0.006755 Si\n0.334760 0.929879 0.006755 Si\n0.834760 0.070121 0.993245 Si\n0.573711 0.150602 0.589244 H\n0.073711 0.849398 0.410756 H\n0.426289 0.849398 0.410756 H\n0.926289 0.150602 0.589244 H\n0.750000 0.585704 0.380278 H\n0.250000 0.414296 0.619722 H\n0.627058 0.802413 0.019179 H\n0.127058 0.197587 0.980821 H\n0.372942 0.197587 0.980821 H\n0.872942 0.802413 0.019179 H\n0.533721 0.499067 0.743860 H\n0.033721 0.500933 0.256140 H\n0.466279 0.500933 0.256140 H\n0.966279 0.499067 0.743860 H\n0.631663 0.187136 0.151162 H\n0.131663 0.812864 0.848838 H\n0.368337 0.812864 0.848838 H\n0.868337 0.187136 0.151162 H\n0.750000 0.804274 0.637403 H\n0.250000 0.195726 0.362597 H\n",
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},
{
"id": "mp-1035238",
"created_at": "2022-09-04T14:46:39.882905Z",
"structure_string": "Mg14 Cu1 C1 O16\n1.0\n8.520827 -0.000000 -0.000000\n-0.000000 8.520827 -0.000000\n0.000000 0.000000 4.217321\nMg Cu C O\n14 1 1 16\ndirect\n0.000000 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Mg\n0.000000 0.249692 0.500000 Mg\n0.000000 0.750308 0.500000 Mg\n0.500000 0.253073 0.500000 Mg\n0.500000 0.746927 0.500000 Mg\n0.249692 -0.000000 0.500000 Mg\n0.253073 0.500000 0.500000 Mg\n0.750308 -0.000000 0.500000 Mg\n0.746927 0.500000 0.500000 Mg\n0.251199 0.251199 0.000000 Mg\n0.251199 0.748801 -0.000000 Mg\n0.748801 0.251199 0.000000 Mg\n0.748801 0.748801 -0.000000 Mg\n0.000000 -0.000000 -0.000000 Cu\n0.500000 0.500000 -0.000000 C\n0.254137 -0.000000 -0.000000 O\n0.248810 0.500000 -0.000000 O\n0.745863 -0.000000 0.000000 O\n0.751190 0.500000 0.000000 O\n0.250182 0.250182 0.500000 O\n0.250182 0.749818 0.500000 O\n0.749818 0.250182 0.500000 O\n0.749818 0.749818 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.254137 0.000000 O\n0.000000 0.745863 -0.000000 O\n0.500000 0.248810 0.000000 O\n0.500000 0.751190 -0.000000 O\n",
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"formula_full": "Mg14 Cu1 C1 O16",
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"updated_at": "2021-11-28T01:37:48.598000Z",
"spacegroup": 123
}
]
}