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{
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{
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{
"id": "mp-1070375",
"created_at": "2022-09-04T14:46:57.349817Z",
"structure_string": "Cs1 Sn1 Cl3\n1.0\n5.624882 0.000000 0.000000\n0.000000 5.624882 0.000000\n0.000000 0.000000 5.624882\nCs Sn Cl\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n0.500000 0.000000 0.500000 Cl\n",
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{
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"structure_string": "Ba4 Eu8 Sc8 O28\n1.0\n5.874271 0.000000 0.000000\n0.000000 5.874271 0.000000\n0.000000 0.000000 20.139099\nBa Eu Sc O\n4 8 8 28\ndirect\n0.237842 0.762158 0.500000 Ba\n0.762158 0.237842 0.500000 Ba\n0.262158 0.262158 0.000000 Ba\n0.737842 0.737842 0.000000 Ba\n0.214294 0.785706 0.314819 Eu\n0.785706 0.214294 0.314819 Eu\n0.285706 0.285706 0.814819 Eu\n0.714294 0.714294 0.814819 Eu\n0.785706 0.214294 0.685181 Eu\n0.214294 0.785706 0.685181 Eu\n0.714294 0.714294 0.185181 Eu\n0.285706 0.285706 0.185181 Eu\n0.236435 0.763565 0.103787 Sc\n0.763565 0.236435 0.103787 Sc\n0.263565 0.263565 0.603787 Sc\n0.736435 0.736435 0.603787 Sc\n0.763565 0.236435 0.896213 Sc\n0.236435 0.763565 0.896213 Sc\n0.736435 0.736435 0.396213 Sc\n0.263565 0.263565 0.396213 Sc\n0.284819 0.284819 0.500000 O\n0.715181 0.715181 0.500000 O\n0.215181 0.784819 0.000000 O\n0.784819 0.215181 0.000000 O\n0.318908 0.681092 0.210911 O\n0.681092 0.318908 0.210911 O\n0.181092 0.181092 0.710911 O\n0.818908 0.818908 0.710911 O\n0.681092 0.318908 0.789089 O\n0.318908 0.681092 0.789089 O\n0.818908 0.818908 0.289089 O\n0.181092 0.181092 0.289089 O\n0.000000 0.500000 0.386532 O\n0.500000 0.000000 0.886532 O\n0.000000 0.500000 0.613468 O\n0.500000 0.000000 0.113468 O\n0.500000 0.000000 0.386532 O\n0.000000 0.500000 0.886532 O\n0.500000 0.000000 0.613468 O\n0.000000 0.500000 0.113468 O\n0.500000 0.500000 0.368407 O\n0.000000 0.000000 0.868407 O\n0.500000 0.500000 0.631593 O\n0.000000 0.000000 0.131593 O\n0.500000 0.500000 0.095533 O\n0.000000 0.000000 0.595533 O\n0.500000 0.500000 0.904467 O\n0.000000 0.000000 0.404467 O\n",
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},
{
"id": "mp-1068446",
"created_at": "2022-09-04T14:46:56.073754Z",
"structure_string": "Sc1 Au4\n1.0\n-3.332762 3.332762 2.050032\n3.332762 -3.332762 2.050032\n3.332762 3.332762 -2.050032\nSc Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.601246 0.797219 0.398464 Au\n0.398754 0.202781 0.601536 Au\n0.202781 0.601246 0.804027 Au\n0.797219 0.398754 0.195973 Au\n",
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{
"id": "mp-1199172",
"created_at": "2022-09-04T14:46:56.037372Z",
"structure_string": "K18 Cu2 S16 N4 O36\n1.0\n-6.631623 6.631623 7.842959\n6.631623 -6.631623 7.842959\n6.631623 6.631623 -7.842959\nK Cu S N O\n18 2 16 4 36\ndirect\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.006999 0.506999 0.500000 K\n0.743001 0.743001 0.000000 K\n0.493001 0.993001 0.500000 K\n0.256999 0.256999 0.000000 K\n0.912648 0.625000 0.787648 K\n0.837352 0.125000 0.212352 K\n0.875000 0.087352 0.712352 K\n0.375000 0.162648 0.287648 K\n0.003517 0.946283 0.450454 K\n0.254171 0.303717 0.557234 K\n0.495829 0.553063 0.549546 K\n0.746483 0.696937 0.442766 K\n0.446937 0.996483 0.942766 K\n0.696283 0.253517 0.950454 K\n0.053717 0.504171 0.057234 K\n0.303063 0.745829 0.049546 K\n0.750000 0.250000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.960508 0.254800 0.555440 S\n0.050640 0.995200 0.205708 S\n0.699360 0.405068 0.444560 S\n0.789492 0.844932 0.794292 S\n0.594932 0.039492 0.294292 S\n0.004800 0.210508 0.055440 S\n0.745200 0.300640 0.705708 S\n0.155068 0.949360 0.944560 S\n0.100931 0.387215 0.769605 S\n0.132390 0.862785 0.213716 S\n0.617610 0.331326 0.230395 S\n0.649069 0.918674 0.786284 S\n0.668674 0.899069 0.286284 S\n0.137215 0.350931 0.269605 S\n0.612785 0.382390 0.713716 S\n0.081326 0.867610 0.730395 S\n0.361356 0.125000 0.736356 N\n0.388644 0.625000 0.263644 N\n0.375000 0.638644 0.763644 N\n0.875000 0.611356 0.236356 N\n0.404744 0.201327 0.867863 O\n0.416536 0.048673 0.703417 O\n0.333464 0.536880 0.132137 O\n0.345256 0.713120 0.296583 O\n0.463120 0.595256 0.796583 O\n0.951327 0.654744 0.367863 O\n0.798673 0.666536 0.203417 O\n0.286880 0.583464 0.632137 O\n0.266821 0.125000 0.641821 O\n0.483179 0.625000 0.358179 O\n0.375000 0.733179 0.858179 O\n0.875000 0.516821 0.141821 O\n0.081831 0.511428 0.815310 O\n0.053882 0.738572 0.070403 O\n0.696118 0.266521 0.184690 O\n0.668169 0.983479 0.929597 O\n0.733479 0.918169 0.429597 O\n0.261428 0.331831 0.315310 O\n0.488572 0.303882 0.570403 O\n0.016521 0.946118 0.684690 O\n0.233275 0.411310 0.790957 O\n0.129647 0.838690 0.321965 O\n0.620353 0.442317 0.209043 O\n0.516725 0.807683 0.678035 O\n0.557683 0.766725 0.178035 O\n0.161310 0.483275 0.290957 O\n0.588690 0.379647 0.821965 O\n0.192317 0.870353 0.709043 O\n0.079164 0.325051 0.845207 O\n0.270156 0.924949 0.254113 O\n0.479844 0.233958 0.154793 O\n0.670836 0.016042 0.745887 O\n0.766042 0.920836 0.245887 O\n0.075051 0.329164 0.345207 O\n0.674949 0.520156 0.754113 O\n0.983958 0.729844 0.654793 O\n",
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{
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{
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{
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{
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],
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{
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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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],
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"density": 10.7612204202169,
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"formula_full": "Ba20 Zn5 Hg99",
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"energy": -111.30668816,
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"updated_at": "2021-11-28T01:37:47.791000Z",
"spacegroup": 216
}
]
}