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{
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{
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{
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{
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"structure_string": "Ba1 Li1 As1\n1.0\n2.277582 -3.944888 0.000000\n2.277582 3.944888 0.000000\n0.000000 0.000000 4.620388\nBa Li As\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Ba\n0.000000 0.000000 0.500000 Li\n0.333333 0.666667 0.500000 As\n",
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{
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"structure_string": "Ba20 La4 Si24\n1.0\n4.885594 0.000000 0.000000\n0.000000 17.329733 0.000000\n0.000000 0.000000 17.991279\nBa La Si\n20 4 24\ndirect\n0.250000 0.068169 0.308375 Ba\n0.250000 0.568169 0.191625 Ba\n0.750000 0.931831 0.691625 Ba\n0.750000 0.431831 0.808375 Ba\n0.250000 0.077243 0.565102 Ba\n0.250000 0.577243 0.934898 Ba\n0.750000 0.922757 0.434898 Ba\n0.750000 0.422757 0.065102 Ba\n0.250000 0.321377 0.231335 Ba\n0.250000 0.821377 0.268665 Ba\n0.750000 0.678623 0.768665 Ba\n0.750000 0.178623 0.731335 Ba\n0.250000 0.341643 0.631017 Ba\n0.250000 0.841643 0.868983 Ba\n0.750000 0.658357 0.368983 Ba\n0.750000 0.158357 0.131017 Ba\n0.250000 0.470383 0.406948 Ba\n0.250000 0.970383 0.093052 Ba\n0.750000 0.529617 0.593052 Ba\n0.750000 0.029617 0.906948 Ba\n0.250000 0.251698 0.432978 La\n0.250000 0.751698 0.067022 La\n0.750000 0.748302 0.567022 La\n0.750000 0.248302 0.932978 La\n0.250000 0.046258 0.775225 Si\n0.250000 0.546258 0.724775 Si\n0.750000 0.953742 0.224775 Si\n0.750000 0.453742 0.275225 Si\n0.250000 0.145253 0.995411 Si\n0.250000 0.645253 0.504589 Si\n0.750000 0.854747 0.004589 Si\n0.750000 0.354747 0.495411 Si\n0.250000 0.155027 0.859783 Si\n0.250000 0.655027 0.640217 Si\n0.750000 0.844973 0.140217 Si\n0.750000 0.344973 0.359783 Si\n0.250000 0.289783 0.823024 Si\n0.250000 0.789783 0.676976 Si\n0.750000 0.710217 0.176976 Si\n0.750000 0.210217 0.323024 Si\n0.250000 0.367346 0.936953 Si\n0.250000 0.867346 0.563047 Si\n0.750000 0.632654 0.063047 Si\n0.750000 0.132654 0.436953 Si\n0.250000 0.777945 0.456966 Si\n0.250000 0.277945 0.043034 Si\n0.750000 0.222055 0.543034 Si\n0.750000 0.722055 0.956966 Si\n",
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"volume": 1523.2503396641773,
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"formula_full": "Ba20 La4 Si24",
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{
"id": "mp-1078225",
"created_at": "2022-09-04T14:47:08.370841Z",
"structure_string": "Ba2 La2 Si4\n1.0\n2.316568 -7.479822 0.000000\n2.316568 7.479822 0.000000\n0.000000 0.000000 6.780412\nBa La Si\n2 2 4\ndirect\n0.277293 0.722707 0.750000 Ba\n0.722707 0.277293 0.250000 Ba\n0.548613 0.451387 0.750000 La\n0.451387 0.548613 0.250000 La\n0.924017 0.075983 0.932424 Si\n0.075983 0.924017 0.067576 Si\n0.924017 0.075983 0.567576 Si\n0.075983 0.924017 0.432424 Si\n",
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{
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"structure_string": "Ba2 La4 Se8\n1.0\n-4.669130 4.669130 4.640119\n4.669130 -4.669130 4.640119\n4.669130 4.669130 -4.640119\nBa La Se\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.998651 0.375000 0.123651 La\n0.625000 0.748651 0.623651 La\n0.251349 0.875000 0.876349 La\n0.125000 0.001349 0.376349 La\n0.516426 0.106130 0.746289 Se\n0.893870 0.640159 0.410296 Se\n0.356130 0.266426 0.246289 Se\n0.733574 0.979863 0.089704 Se\n0.890159 0.643870 0.910296 Se\n0.229863 0.483574 0.589704 Se\n0.359841 0.770137 0.253711 Se\n0.020137 0.109841 0.753711 Se\n",
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{
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{
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{
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]
}