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{
"id": "jvasp-107983",
"created_at": "2022-09-04T14:36:01.959848Z",
"updated_at": "2022-09-04T14:36:01.959871Z",
"structure_string": "Sr3 Cu1\n1.0\n5.305771 -0.000000 0.000000\n0.000000 5.305771 0.000000\n-0.000000 -0.000000 5.305771\nSr Cu\n3 1\ndirect\n0.500000 0.500000 -0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Cu\n",
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{
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"structure_string": "Sr3 Cr2 S2 O5\n1.0\n3.957338 0.000000 0.000000\n0.000000 3.957338 -0.000000\n-1.978669 -1.978669 11.164670\nSr Cr S O\n3 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.665931 0.665931 0.331861 Sr\n0.334069 0.334069 0.668139 Sr\n0.085021 0.085021 0.170042 Cr\n0.914979 0.914979 0.829958 Cr\n0.193468 0.193468 0.386937 S\n0.806532 0.806532 0.613063 S\n0.084775 0.584775 0.169550 O\n0.584775 0.084775 0.169550 O\n0.915225 0.415225 0.830450 O\n0.415225 0.915225 0.830450 O\n0.000000 0.000000 0.000000 O\n",
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"volume": 174.84458300337897,
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{
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"updated_at": "2022-09-04T14:37:50.612015Z",
"structure_string": "Sr3 Cr2 O8\n1.0\n5.180343 0.002487 5.419507\n2.175177 4.701549 5.419507\n0.003888 0.002487 7.497133\nSr Cr O\n3 2 8\ndirect\n0.796811 0.796811 0.796810 Sr\n0.203189 0.203191 0.203188 Sr\n0.000000 0.000000 0.000000 Sr\n0.593935 0.593934 0.593935 Cr\n0.406064 0.406066 0.406064 Cr\n0.268711 0.268712 0.768526 O\n0.268710 0.768529 0.268710 O\n0.768525 0.268712 0.268711 O\n0.231473 0.731290 0.731289 O\n0.731289 0.731290 0.231474 O\n0.322577 0.322575 0.322577 O\n0.731288 0.231475 0.731289 O\n0.677423 0.677426 0.677425 O\n",
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"elements": [
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"density": 4.5045789187513074,
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"volume": 182.41737008644088,
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"formula_full": "Sr3 Cr2 O8",
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"formula_anonymous": "A2B3C8",
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{
"id": "jvasp-37600",
"created_at": "2022-09-04T14:38:08.165393Z",
"updated_at": "2022-09-04T14:38:08.165408Z",
"structure_string": "Sr3 Cr1\n1.0\n5.447948 -0.000000 0.000000\n0.000000 5.447948 -0.000000\n-0.000000 0.000000 5.447948\nSr Cr\n3 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Cr\n",
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"volume": 161.69584524637006,
"volume_molar": 24.343878509520437,
"formula_full": "Sr3 Cr1",
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{
"id": "jvasp-58076",
"created_at": "2022-09-04T14:37:32.304945Z",
"updated_at": "2022-09-04T14:37:32.304959Z",
"structure_string": "Sr3 Co2 Cu2 S2 O5\n1.0\n3.846203 -0.000000 -0.000000\n-0.000000 3.846203 -0.000000\n-1.923101 -1.923101 13.397702\nSr Co Cu S O\n3 2 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.638621 0.638621 0.277243 Sr\n0.361378 0.361378 0.722757 Sr\n0.069528 0.069528 0.139055 Co\n0.930472 0.930472 0.860945 Co\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.195635 0.195635 0.391270 S\n0.804364 0.804364 0.608729 S\n0.078524 0.578524 0.157048 O\n0.578524 0.078524 0.157048 O\n0.921475 0.421476 0.842951 O\n0.421476 0.921475 0.842951 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Co-Cu-O-S-Sr",
"density": 5.46217484569786,
"density_atomic": 0.07063717423179841,
"volume": 198.19592377886607,
"volume_molar": 8.525455364675448,
"formula_full": "Sr3 Co2 Cu2 S2 O5",
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{
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"created_at": "2022-09-04T14:37:06.353791Z",
"updated_at": "2022-09-04T14:37:06.353810Z",
"structure_string": "Sr3 Co2 Cl2 O5\n1.0\n3.814800 -0.000000 -0.613805\n-0.098761 3.813521 -0.613805\n0.031826 0.032661 12.359198\nSr Co Cl O\n3 2 2 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.154866 0.154867 0.309734 Sr\n0.845134 0.845132 0.690267 Sr\n0.423332 0.423332 0.846664 Co\n0.576668 0.576669 0.153338 Co\n0.295204 0.295202 0.590405 Cl\n0.704799 0.704796 0.409596 Cl\n0.500000 0.500001 0.000000 O\n0.413431 0.913430 0.826860 O\n0.913431 0.413429 0.826860 O\n0.086570 0.586569 0.173141 O\n0.586570 0.086571 0.173141 O\n",
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"elements": [
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"density": 4.9056954038516665,
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"volume": 179.95234077407474,
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"formula_full": "Sr3 Co2 Cl2 O5",
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{
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"created_at": "2022-09-04T14:38:32.660546Z",
"updated_at": "2022-09-04T14:38:32.660575Z",
"structure_string": "Sr3 Ce1 P1 C3 O13\n1.0\n6.504654 -0.012058 -1.144058\n-1.360796 6.360731 -1.144058\n-0.009771 -0.012058 6.604491\nSr Ce P C O\n3 1 1 3 13\ndirect\n0.526118 0.526119 0.077348 Sr\n0.526119 0.077348 0.526119 Sr\n0.077348 0.526119 0.526119 Sr\n0.001246 0.001246 0.001246 Ce\n0.577313 0.577313 0.577313 P\n0.067713 0.566952 0.067714 C\n0.067714 0.067714 0.566952 C\n0.566951 0.067714 0.067714 C\n0.161367 0.940504 0.659014 O\n0.659014 0.161368 0.940504 O\n0.111421 0.394514 0.111422 O\n0.435470 0.435470 0.684171 O\n0.940503 0.659015 0.161367 O\n0.111422 0.111422 0.394514 O\n0.743496 0.743496 0.743496 O\n0.435470 0.684171 0.435470 O\n0.684170 0.435470 0.435470 O\n0.940503 0.161368 0.659014 O\n0.161368 0.659015 0.940504 O\n0.659014 0.940504 0.161367 O\n0.394514 0.111422 0.111422 O\n",
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"elements": [
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],
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"density": 4.1242951885671575,
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"created_at": "2022-09-04T14:38:32.850577Z",
"updated_at": "2022-09-04T14:38:32.850602Z",
"structure_string": "Sr3 Cd1 O4\n1.0\n5.081601 0.000000 0.000000\n0.000000 5.081601 0.000000\n-0.000000 -0.000000 5.081601\nSr Cd O\n3 1 4\ndirect\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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"formula_anonymous": "AB3C4",
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{
"id": "jvasp-52555",
"created_at": "2022-09-04T14:36:10.811044Z",
"updated_at": "2022-09-04T14:36:10.811073Z",
"structure_string": "Sr3 Ca6 I18\n1.0\n13.628171 -0.000000 -0.000000\n-6.814085 11.802130 0.000124\n-0.000000 0.000069 7.062544\nSr Ca I\n3 6 18\ndirect\n0.333327 0.666664 0.495995 Sr\n-0.000001 -0.000000 -0.000000 Sr\n0.666663 0.333336 0.504004 Sr\n0.676131 0.676133 0.500001 Ca\n0.323859 0.000000 0.500000 Ca\n0.657520 0.000000 0.000000 Ca\n-0.000002 0.323867 0.499998 Ca\n-0.000002 0.657527 0.000000 Ca\n0.342471 0.342473 -0.000001 Ca\n0.771523 0.897116 0.742874 I\n0.785870 0.224037 0.761264 I\n0.897110 0.771527 0.257122 I\n0.775958 0.561836 0.761257 I\n0.542469 0.105304 0.246226 I\n0.562829 0.457527 0.246229 I\n0.438163 0.214124 0.761260 I\n0.457525 0.562836 0.753778 I\n0.214121 0.438164 0.238742 I\n0.561833 0.775963 0.238735 I\n0.125583 0.228473 0.742877 I\n0.894689 0.437164 0.246221 I\n0.437166 0.894696 0.753772 I\n0.105302 0.542473 0.753769 I\n0.224038 0.785876 0.238739 I\n0.102882 0.874412 0.742877 I\n0.228469 0.125588 0.257122 I\n0.874407 0.102884 0.257125 I\n",
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{
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"created_at": "2022-09-04T14:38:51.432909Z",
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"structure_string": "Sr3 Ca1 Sn4 O12\n1.0\n8.111483 -0.000000 0.000000\n0.000000 5.712405 -0.001220\n-0.000000 -0.006178 5.782593\nSr Ca Sn O\n3 1 4 12\ndirect\n-0.000000 0.005787 0.963966 Sr\n0.500000 0.508825 0.533714 Sr\n0.500000 0.989966 0.040470 Sr\n-0.000000 0.489312 0.451159 Ca\n0.248084 0.500330 0.997995 Sn\n0.752556 0.999307 0.500528 Sn\n0.751916 0.500330 0.997995 Sn\n0.247444 0.999307 0.500528 Sn\n-0.000000 0.900214 0.518427 O\n-0.000000 0.577279 0.041157 O\n0.197835 0.298233 0.702900 O\n0.792568 0.212094 0.213400 O\n0.707994 0.710707 0.287408 O\n0.802165 0.298233 0.702900 O\n0.292006 0.710707 0.287408 O\n0.711384 0.794694 0.792462 O\n0.500000 0.421411 0.975065 O\n0.207432 0.212094 0.213400 O\n0.288616 0.794694 0.792462 O\n0.500000 0.076481 0.486651 O\n",
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"density": 6.010026967815802,
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{
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"created_at": "2022-09-04T14:35:49.583013Z",
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"structure_string": "Sr3 Ca1 O4\n1.0\n5.098871 -0.000000 -0.000000\n-0.000000 5.098871 -0.000000\n0.000000 0.000000 5.098871\nSr Ca O\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:45.165350Z",
"updated_at": "2022-09-04T14:38:45.165377Z",
"structure_string": "Sr3 Ca1 Fe4 O12\n1.0\n5.389787 0.003138 0.006968\n-0.004277 7.598776 -0.028781\n0.018799 0.020711 5.390684\nSr Ca Fe O\n3 1 4 12\ndirect\n0.498716 0.749994 0.498699 Sr\n0.500468 0.250000 0.500406 Sr\n0.999660 0.750006 -0.000289 Sr\n0.003438 0.250010 0.003265 Ca\n0.000186 0.498081 0.499892 Fe\n0.499923 0.001918 0.000216 Fe\n0.000187 0.001913 0.499893 Fe\n0.499924 0.498089 0.000216 Fe\n0.757310 0.021523 0.757295 O\n0.757241 0.478497 0.757236 O\n0.248010 0.513489 0.248021 O\n0.247954 0.986503 0.247974 O\n0.250183 0.495937 0.749508 O\n0.984600 0.749995 0.514832 O\n0.513721 0.749995 0.983395 O\n0.014265 0.249999 0.473652 O\n0.749299 0.497299 0.250415 O\n0.475426 0.250005 0.015440 O\n0.250242 0.004061 0.749455 O\n0.749246 0.002691 0.250479 O\n",
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],
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"formula_full": "Sr3 Ca1 Fe4 O12",
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}
]
}