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{
"id": "jvasp-90780",
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"structure_string": "Sr4 Mg4\n1.0\n7.843961 0.000000 0.000000\n0.000000 7.843961 -0.000000\n-0.000000 0.000000 7.843961\nSr Mg\n4 4\ndirect\n0.250000 0.250000 0.750000 Sr\n0.250000 0.750000 0.250000 Sr\n0.750000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n",
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{
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{
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"structure_string": "Sr4 Lu8 Se16\n1.0\n4.066101 -0.000000 0.000000\n0.000000 12.470250 0.000000\n-0.000000 -0.000000 14.723941\nSr Lu Se\n4 8 16\ndirect\n0.250000 0.760692 0.333097 Sr\n0.250000 0.260692 0.166903 Sr\n0.750000 0.239308 0.666903 Sr\n0.750000 0.739308 0.833097 Sr\n0.750000 0.083243 0.402750 Lu\n0.750000 0.583243 0.097250 Lu\n0.250000 0.416757 0.902750 Lu\n0.250000 0.916757 0.597250 Lu\n0.750000 0.559949 0.610690 Lu\n0.250000 0.940051 0.110690 Lu\n0.250000 0.440051 0.389310 Lu\n0.750000 0.059949 0.889310 Lu\n0.250000 0.028336 0.284465 Se\n0.250000 0.908556 0.923891 Se\n0.250000 0.408556 0.576109 Se\n0.750000 0.471664 0.784465 Se\n0.750000 0.971664 0.715535 Se\n0.250000 0.528336 0.215535 Se\n0.750000 0.372232 0.030344 Se\n0.250000 0.704324 0.666976 Se\n0.250000 0.627768 0.969656 Se\n0.250000 0.127768 0.530344 Se\n0.750000 0.295676 0.333024 Se\n0.750000 0.795676 0.166976 Se\n0.750000 0.591444 0.423891 Se\n0.250000 0.204324 0.833024 Se\n0.750000 0.872232 0.469656 Se\n0.750000 0.091444 0.076109 Se\n",
"nsites": 28,
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"formula_full": "Sr4 Lu8 Se16",
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{
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"created_at": "2022-09-04T14:37:07.783107Z",
"updated_at": "2022-09-04T14:37:07.783134Z",
"structure_string": "Sr2 Lu2 Cu2 Se6\n1.0\n4.048643 0.000000 0.000000\n-2.024321 6.745275 -0.000000\n0.000000 0.000000 10.394591\nSr Lu Cu Se\n2 2 2 6\ndirect\n0.248131 0.496263 0.250000 Sr\n0.751869 0.503738 0.750000 Sr\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.470448 0.940897 0.750000 Cu\n0.529552 0.059104 0.250000 Cu\n0.638342 0.276685 0.439661 Se\n0.078371 0.156742 0.750000 Se\n0.361658 0.723316 0.939661 Se\n0.638342 0.276685 0.060339 Se\n0.921629 0.843258 0.250000 Se\n0.361658 0.723316 0.560339 Se\n",
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"formula_full": "Sr2 Lu2 Cu2 Se6",
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{
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"created_at": "2022-09-04T14:37:32.927698Z",
"updated_at": "2022-09-04T14:37:32.927732Z",
"structure_string": "Sr2 Lu2 Cu2 S6\n1.0\n3.892563 0.000000 0.000000\n-1.946282 6.469782 0.000000\n0.000000 -0.000000 9.970818\nSr Lu Cu S\n2 2 2 6\ndirect\n0.251649 0.503300 0.750000 Sr\n0.748350 0.496700 0.250000 Sr\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.470712 0.941423 0.250000 Cu\n0.529288 0.058577 0.750000 Cu\n0.924413 0.848826 0.750000 S\n0.075587 0.151173 0.250000 S\n0.363670 0.727339 0.062151 S\n0.363670 0.727339 0.437849 S\n0.636329 0.272660 0.562151 S\n0.636329 0.272660 0.937849 S\n",
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"volume": 251.1054198315596,
"volume_molar": 12.601601531871228,
"formula_full": "Sr2 Lu2 Cu2 S6",
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"structure_string": "Sr2 Lu4 O8\n1.0\n0.000000 3.293932 0.000092\n10.956615 0.000000 0.000000\n0.000000 -1.647024 -5.444744\nSr Lu O\n2 4 8\ndirect\n0.886763 0.250000 0.773605 Sr\n0.113238 0.750000 0.226395 Sr\n0.366583 0.928218 0.733126 Lu\n0.366583 0.571781 0.733126 Lu\n0.633417 0.071781 0.266873 Lu\n0.633417 0.428218 0.266873 Lu\n0.000000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.447348 0.750000 0.894667 O\n0.263547 0.107072 0.527079 O\n0.263547 0.392928 0.527079 O\n0.736453 0.607072 0.472920 O\n0.736453 0.892928 0.472920 O\n0.552652 0.250000 0.105333 O\n",
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{
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"created_at": "2022-09-04T14:37:54.341476Z",
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"structure_string": "Sr4 Lu8 O16\n1.0\n3.327710 -0.000000 0.000000\n0.000000 9.952671 0.000000\n0.000000 0.000000 11.711247\nSr Lu O\n4 8 16\ndirect\n0.750000 0.246358 0.650882 Sr\n0.250000 0.253642 0.150881 Sr\n0.750000 0.746358 0.849119 Sr\n0.250000 0.753642 0.349119 Sr\n0.250000 0.926370 0.111865 Lu\n0.250000 0.921518 0.608725 Lu\n0.750000 0.573630 0.611865 Lu\n0.750000 0.578482 0.108725 Lu\n0.250000 0.421518 0.891275 Lu\n0.750000 0.078482 0.391275 Lu\n0.750000 0.073630 0.888135 Lu\n0.250000 0.426370 0.388135 Lu\n0.250000 0.518029 0.216723 O\n0.750000 0.878268 0.479875 O\n0.750000 0.790163 0.168547 O\n0.250000 0.709837 0.668547 O\n0.250000 0.621732 0.979875 O\n0.750000 0.574968 0.423969 O\n0.750000 0.481971 0.783277 O\n0.750000 0.074968 0.076031 O\n0.750000 0.378268 0.020125 O\n0.750000 0.290163 0.331453 O\n0.250000 0.209837 0.831453 O\n0.250000 0.121732 0.520125 O\n0.250000 0.925032 0.923969 O\n0.250000 0.018029 0.283277 O\n0.250000 0.425032 0.576032 O\n0.750000 0.981971 0.716723 O\n",
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{
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"created_at": "2022-09-04T14:36:30.512765Z",
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"structure_string": "Sr2 Lu4 O8\n1.0\n3.127677 -3.638277 4.797850\n3.638268 3.127666 4.797853\n-3.127674 3.638273 4.797856\nSr Lu O\n2 4 8\ndirect\n0.125001 0.250001 0.875000 Sr\n0.875000 0.750001 0.124999 Sr\n0.000000 0.000000 0.500000 Lu\n0.500001 0.000000 0.500000 Lu\n0.500000 0.500001 0.499999 Lu\n0.500000 0.500000 -0.000001 Lu\n0.731771 0.036443 0.695320 O\n0.268237 0.536443 0.731770 O\n0.268213 0.963559 0.731762 O\n0.304679 0.463558 0.268212 O\n0.695321 0.536443 0.731786 O\n0.731788 0.036443 0.268236 O\n0.731763 0.463558 0.268229 O\n0.268229 0.963558 0.304679 O\n",
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{
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"structure_string": "Sr2 Li2 Ta4 O12 F2\n1.0\n7.440554 -0.036316 -0.013273\n3.688827 6.461866 -0.013273\n3.698956 2.135594 6.040369\nSr Li Ta O F\n2 2 4 12 2\ndirect\n0.625000 0.124999 0.625001 Sr\n0.125000 0.625000 0.625001 Sr\n0.625000 0.625000 0.125001 Li\n0.625000 0.624999 0.625001 Li\n0.625000 0.124999 0.125000 Ta\n0.125000 0.625000 0.125000 Ta\n0.125000 0.125000 0.125000 Ta\n0.125000 0.125000 0.625000 Ta\n0.813255 0.813255 0.186746 O\n0.809422 0.189411 0.806078 O\n0.809421 0.189411 0.195090 O\n0.189412 0.809421 0.806078 O\n0.196753 0.196752 0.803248 O\n0.436744 0.436744 0.063256 O\n0.189412 0.809421 0.195090 O\n0.440579 0.060588 0.054911 O\n0.060588 0.440579 0.443923 O\n0.053248 0.053247 0.446753 O\n0.060588 0.440579 0.054911 O\n0.440579 0.060588 0.443923 O\n0.724146 0.724145 0.775855 F\n0.525854 0.525854 0.474146 F\n",
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"volume": 291.65468388410613,
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{
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"structure_string": "Sr1 Li1 Si1\n1.0\n4.737434 -0.000000 0.000000\n-2.368717 4.102738 0.000000\n-0.000000 -0.000000 3.728800\nSr Li Si\n1 1 1\ndirect\n0.666666 0.333333 0.500000 Sr\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 -0.000000 Si\n",
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},
{
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"updated_at": "2022-09-04T14:37:19.690434Z",
"structure_string": "Sr4 Li4 Sb4\n1.0\n4.814075 -0.000000 0.000000\n0.000000 8.038195 0.000000\n0.000000 0.000000 8.435191\nSr Li Sb\n4 4 4\ndirect\n0.750001 0.996832 0.291783 Sr\n0.250000 0.003167 0.708217 Sr\n0.750001 0.496833 0.208217 Sr\n0.250000 0.503167 0.791783 Sr\n0.750001 0.839421 0.924087 Li\n0.250000 0.160578 0.075913 Li\n0.750001 0.339422 0.575913 Li\n0.250000 0.660578 0.424087 Li\n0.250000 0.776611 0.093060 Sb\n0.750001 0.223389 0.906939 Sb\n0.250000 0.276611 0.406939 Sb\n0.750001 0.723388 0.593060 Sb\n",
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],
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"formula_full": "Sr4 Li4 Sb4",
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{
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"structure_string": "Sr1 Li1 P1\n1.0\n2.135290 -3.698430 0.000000\n2.135290 3.698430 0.000000\n0.000000 0.000000 4.239673\nSr Li P\n1 1 1\ndirect\n0.666667 0.333333 0.500000 Sr\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.000000 P\n",
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]
}