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"id": "jvasp-91411",
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"updated_at": "2022-09-04T14:36:00.999025Z",
"structure_string": "Ba8 Sn4 S16\n1.0\n8.122023 0.000000 -2.722271\n0.000000 8.571933 0.000000\n-0.159548 0.000000 11.817070\nBa Sn S\n8 4 16\ndirect\n0.307417 0.804369 0.350063 Ba\n0.192583 0.304369 0.149937 Ba\n0.692583 0.195630 0.649937 Ba\n0.807416 0.695630 0.850063 Ba\n0.737533 0.874671 0.164399 Ba\n0.762467 0.374671 0.335601 Ba\n0.262467 0.125329 0.835601 Ba\n0.237533 0.625329 0.664399 Ba\n0.308866 0.686897 0.008707 Sn\n0.191133 0.186898 0.491293 Sn\n0.691133 0.313102 0.991293 Sn\n0.808866 0.813102 0.508707 Sn\n0.024572 0.307768 0.598955 S\n0.475427 0.807768 0.901045 S\n0.642730 0.614554 0.555102 S\n0.857270 0.114554 0.944898 S\n0.357270 0.385446 0.444898 S\n0.142730 0.885446 0.055102 S\n0.476048 0.600013 0.206254 S\n0.133984 0.481313 0.890193 S\n0.523951 0.399986 0.793746 S\n0.976048 0.899986 0.706254 S\n0.866016 0.518686 0.109807 S\n0.633984 0.018686 0.390194 S\n0.524572 0.192231 0.098955 S\n0.366016 0.981313 0.609806 S\n0.023951 0.100014 0.293746 S\n0.975427 0.692231 0.401045 S\n",
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{
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"created_at": "2022-09-04T14:36:09.374016Z",
"updated_at": "2022-09-04T14:36:09.374043Z",
"structure_string": "Ba2 Sn1 Te1\n1.0\n-0.000000 4.253634 4.253634\n4.253634 -0.000000 4.253634\n4.253634 4.253634 -0.000000\nBa Sn Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Te\n",
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{
"id": "jvasp-112379",
"created_at": "2022-09-04T14:38:39.574710Z",
"updated_at": "2022-09-04T14:38:39.574733Z",
"structure_string": "Ba2 Sr3 Ca1 Mg2 Si4 O16\n1.0\n5.502339 -0.000000 0.000000\n-2.751169 4.765166 0.000000\n-0.000000 -0.000000 13.998334\nBa Sr Ca Mg Si O\n2 3 1 2 4 16\ndirect\n0.333334 0.666667 0.251557 Ba\n0.333334 0.666667 0.748829 Ba\n0.666667 0.333334 0.920227 Sr\n0.000000 0.000000 0.080282 Sr\n0.000000 0.000000 0.578197 Sr\n0.666667 0.333334 0.417794 Ca\n0.333334 0.666667 0.001713 Mg\n0.333334 0.666667 0.498210 Mg\n0.000000 0.000000 0.864345 Si\n0.000000 0.000000 0.363351 Si\n0.666667 0.333334 0.633309 Si\n0.666667 0.333334 0.139709 Si\n0.158991 0.317981 0.912172 O\n0.158767 0.317535 0.410885 O\n0.158991 0.841010 0.912172 O\n0.158767 0.841233 0.410885 O\n0.983835 0.491918 0.585705 O\n0.983776 0.491888 0.091275 O\n0.508083 0.016165 0.585705 O\n0.666667 0.333334 0.748910 O\n0.508083 0.491918 0.585705 O\n0.508112 0.491888 0.091275 O\n0.000000 0.000000 0.749140 O\n0.000000 0.000000 0.248292 O\n0.682466 0.841233 0.410885 O\n0.666667 0.333334 0.256010 O\n0.508112 0.016224 0.091275 O\n0.682019 0.841010 0.912172 O\n",
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"formula_full": "Ba2 Sr3 Ca1 Mg2 Si4 O16",
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"created_at": "2022-09-04T14:38:52.658180Z",
"updated_at": "2022-09-04T14:38:52.658207Z",
"structure_string": "Ba2 Sr1 B18\n1.0\n4.245834 0.000000 0.000000\n0.000000 4.245834 0.000000\n-0.000000 0.000000 12.740018\nBa Sr B\n2 1 18\ndirect\n0.000000 0.000000 0.332007 Ba\n0.000000 0.000000 0.667993 Ba\n0.000000 0.000000 0.000000 Sr\n0.796155 0.500000 0.163828 B\n0.500000 0.796155 0.836172 B\n0.500000 0.795652 0.500000 B\n0.500000 0.796155 0.163828 B\n0.500000 0.500000 0.736812 B\n0.500000 0.500000 0.400972 B\n0.500000 0.500000 0.066451 B\n0.500000 0.203844 0.836172 B\n0.500000 0.204347 0.500000 B\n0.500000 0.203844 0.163828 B\n0.500000 0.500000 0.933549 B\n0.500000 0.500000 0.599028 B\n0.500000 0.500000 0.263188 B\n0.203844 0.500000 0.836172 B\n0.204347 0.500000 0.500000 B\n0.203844 0.500000 0.163828 B\n0.795652 0.500000 0.500000 B\n0.796155 0.500000 0.836172 B\n",
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"density": 4.02632118915452,
"density_atomic": 0.09143726602221082,
"volume": 229.66565945769787,
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{
"id": "jvasp-65762",
"created_at": "2022-09-04T14:36:16.299042Z",
"updated_at": "2022-09-04T14:36:16.299064Z",
"structure_string": "Ba2 Sr1 Co1\n1.0\n0.000000 4.184844 4.184844\n4.184844 0.000000 4.184844\n4.184844 4.184844 -0.000000\nBa Sr Co\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Co\n",
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"density_atomic": 0.027289286185864743,
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"formula_full": "Ba2 Sr1 Co1",
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{
"id": "jvasp-90519",
"created_at": "2022-09-04T14:36:11.405014Z",
"updated_at": "2022-09-04T14:36:11.405047Z",
"structure_string": "Ba2 Sr1 I6\n1.0\n9.162233 0.000032 0.000000\n-4.581088 7.934677 0.000000\n0.000000 0.000000 4.968580\nBa Sr I\n2 1 6\ndirect\n0.333333 0.666678 0.500000 Ba\n0.666666 0.333344 0.500000 Ba\n0.000000 0.000011 0.000000 Sr\n0.000000 0.593605 0.000000 I\n0.000000 0.250220 0.500000 I\n0.406407 0.406419 0.000000 I\n0.250208 0.000010 0.500000 I\n0.749792 0.749802 0.500000 I\n0.593593 0.000012 0.000000 I\n",
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"density_atomic": 0.024916025259643787,
"volume": 361.21331176273935,
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"formula_full": "Ba2 Sr1 I6",
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{
"id": "jvasp-52462",
"created_at": "2022-09-04T14:37:44.044014Z",
"updated_at": "2022-09-04T14:37:44.044038Z",
"structure_string": "Ba4 Sr2 I12\n1.0\n7.879753 -0.000000 0.000000\n0.000000 7.879753 0.000000\n0.000000 0.000000 15.432568\nBa Sr I\n4 2 12\ndirect\n0.000000 0.000000 0.000882 Ba\n0.000000 0.000000 0.334112 Ba\n0.500000 0.500000 0.500882 Ba\n0.500000 0.500000 0.834112 Ba\n0.000000 0.000000 0.667490 Sr\n0.500000 0.500000 0.167490 Sr\n0.806347 0.193653 0.508042 I\n0.693653 0.693653 0.008042 I\n0.693648 0.693648 0.326935 I\n0.706006 0.706006 0.667504 I\n0.293994 0.293994 0.667504 I\n0.193653 0.806347 0.508042 I\n0.306347 0.306347 0.008042 I\n0.806351 0.193648 0.826935 I\n0.193648 0.806351 0.826935 I\n0.206006 0.793994 0.167504 I\n0.306352 0.306352 0.326935 I\n0.793994 0.206006 0.167504 I\n",
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{
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"structure_string": "Ba2 Sr1 I6\n1.0\n8.579717 -0.000000 0.000421\n-4.289858 7.429681 -0.000211\n0.000050 0.000000 7.136588\nBa Sr I\n2 1 6\ndirect\n0.333321 0.666664 0.499997 Ba\n0.666657 0.333336 0.499997 Ba\n0.999989 0.000000 0.999991 Sr\n-0.000005 0.670823 0.763592 I\n-0.000017 0.329166 0.236413 I\n0.329172 0.329177 0.763592 I\n0.670817 0.670834 0.236413 I\n0.329135 0.000000 0.236485 I\n0.670834 0.000000 0.763519 I\n",
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"created_at": "2022-09-04T14:36:36.311018Z",
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"structure_string": "Ba2 Sr1 Ir1 O6\n1.0\n5.298951 0.018398 3.030235\n1.766472 4.995878 3.030235\n0.025923 0.018398 6.104141\nBa Sr Ir O\n2 1 1 6\ndirect\n0.249985 0.249986 0.249985 Ba\n0.750013 0.750016 0.750013 Ba\n0.000000 0.000000 0.000000 Sr\n0.499999 0.500001 0.499999 Ir\n0.274636 0.274637 0.725383 O\n0.274636 0.725383 0.274636 O\n0.725382 0.274637 0.274636 O\n0.274616 0.725364 0.725363 O\n0.725363 0.274618 0.725363 O\n0.725363 0.725364 0.274616 O\n",
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"structure_string": "Ba2 Sr1 N2\n1.0\n3.902485 -0.000032 -0.000007\n-1.951260 3.380060 -0.000168\n-0.000114 -0.000602 10.171429\nBa Sr N\n2 1 2\ndirect\n0.666649 0.333300 0.205455 Ba\n0.333353 0.666701 0.794545 Ba\n0.000001 0.000000 0.500000 Sr\n0.666610 0.333241 0.664043 N\n0.333393 0.666760 0.335957 N\n",
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}