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{
"id": "jvasp-38012",
"created_at": "2022-09-04T14:37:28.797270Z",
"updated_at": "2022-09-04T14:37:28.797298Z",
"structure_string": "Ba3 Si6 N2 O12\n1.0\n6.529272 -0.000375 -0.000125\n0.000585 7.567935 0.000202\n0.000447 3.783755 6.554230\nBa Si N O\n3 6 2 12\ndirect\n0.895293 0.333337 0.333334 Ba\n0.104707 0.666664 0.666665 Ba\n0.000000 0.000000 0.000000 Ba\n0.611349 0.764042 0.829379 Si\n0.611352 0.829372 0.406594 Si\n0.611350 0.406587 0.764031 Si\n0.388652 0.235959 0.170620 Si\n0.388649 0.170630 0.593405 Si\n0.388650 0.593414 0.235968 Si\n0.434459 0.333334 0.333325 N\n0.565542 0.666667 0.666674 N\n0.591439 0.016056 0.682152 O\n0.408561 0.698223 0.983953 O\n0.408558 0.317860 0.698189 O\n0.408562 0.983945 0.317847 O\n0.829547 0.360587 0.698762 O\n0.170455 0.301226 0.059355 O\n0.829546 0.698775 0.940644 O\n0.170453 0.639414 0.301237 O\n0.170453 0.059363 0.639407 O\n0.591443 0.682141 0.301810 O\n0.829548 0.940638 0.360592 O\n0.591440 0.301778 0.016046 O\n",
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"structure_string": "Nd2 O6\n1.0\n4.152714 0.023144 0.095174\n-2.092368 -3.683361 -0.227427\n-1.984493 -0.067754 -7.436144\nNd O\n2 6\ndirect\n0.270593 0.784018 0.746691 Nd\n0.767796 0.181323 0.355097 Nd\n0.910685 0.131512 0.665369 O\n0.307173 0.437495 0.182116 O\n0.119847 0.821954 0.415927 O\n0.430523 0.772377 0.092924 O\n0.660850 0.437877 0.865495 O\n0.532677 0.436898 0.674499 O\n",
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"spacegroup": 1
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{
"id": "jvasp-40740",
"created_at": "2022-09-04T14:37:55.384158Z",
"updated_at": "2022-09-04T14:37:55.384184Z",
"structure_string": "Na6 Co2 O6\n1.0\n4.183188 4.965750 0.000000\n-4.183188 4.965750 0.000000\n0.000000 0.000000 4.745031\nNa Co O\n6 2 6\ndirect\n0.111078 0.659893 0.250000 Na\n0.340107 0.888922 0.750000 Na\n0.602926 0.602926 0.250000 Na\n0.397074 0.397074 0.750000 Na\n0.659893 0.111078 0.250000 Na\n0.888922 0.340107 0.750000 Na\n0.189749 0.189749 0.250000 Co\n0.810251 0.810251 0.750000 Co\n0.071028 0.678696 0.750000 O\n0.321304 0.928971 0.250000 O\n0.370471 0.370471 0.250000 O\n0.629529 0.629529 0.750000 O\n0.928971 0.321304 0.250000 O\n0.678696 0.071028 0.750000 O\n",
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"density": 2.963366615103253,
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"volume": 197.13388645167026,
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"formula_full": "Na6 Co2 O6",
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"spacegroup": 63
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{
"id": "jvasp-107978",
"created_at": "2022-09-04T14:35:56.985775Z",
"updated_at": "2022-09-04T14:35:56.985804Z",
"structure_string": "Rh4\n1.0\n2.711851 0.000000 0.000000\n-1.355926 2.348532 0.000000\n-0.000000 -0.000000 8.843839\nRh\n4\ndirect\n0.000000 0.000000 0.000000 Rh\n0.333332 0.666666 0.250000 Rh\n0.000000 0.000000 0.500000 Rh\n0.666666 0.333333 0.750000 Rh\n",
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{
"id": "jvasp-69446",
"created_at": "2022-09-04T14:35:54.368696Z",
"updated_at": "2022-09-04T14:35:54.368722Z",
"structure_string": "Hf1 Be2 Ge1\n1.0\n-1.827374 1.827374 4.217094\n1.827374 -1.827374 4.217094\n1.827374 1.827374 -4.217094\nHf Be Ge\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Hf\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.499999 0.499999 0.000000 Ge\n",
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{
"id": "jvasp-79073",
"created_at": "2022-09-04T14:36:36.408812Z",
"updated_at": "2022-09-04T14:36:36.408831Z",
"structure_string": "Zn1 Ga1 Ir2\n1.0\n0.000000 3.042553 3.042553\n3.042553 0.000000 3.042553\n3.042553 3.042553 -0.000000\nZn Ga Ir\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Zn\n0.250001 0.250001 0.250001 Ga\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n",
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{
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"created_at": "2022-09-04T14:36:02.480461Z",
"updated_at": "2022-09-04T14:36:02.480490Z",
"structure_string": "Ca6 W2 O12\n1.0\n6.557928 -0.022310 -0.022845\n-0.174199 6.555652 -0.022845\n-0.174200 -0.178282 6.553267\nCa W O\n6 2 12\ndirect\n0.066589 0.564504 0.252884 Ca\n0.252884 0.066589 0.564504 Ca\n0.435496 0.747116 0.933412 Ca\n0.564504 0.252884 0.066590 Ca\n0.747116 0.933411 0.435498 Ca\n0.933411 0.435496 0.747118 Ca\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500001 W\n0.782799 0.578358 0.452661 O\n0.717487 0.930015 0.062378 O\n0.578358 0.452660 0.782800 O\n0.547340 0.217201 0.421643 O\n0.452660 0.782799 0.578359 O\n0.069985 0.937623 0.282514 O\n0.282513 0.069985 0.937624 O\n0.217201 0.421642 0.547341 O\n0.930015 0.062377 0.717488 O\n0.062377 0.717487 0.930016 O\n0.421642 0.547340 0.217202 O\n0.937623 0.282513 0.069986 O\n",
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"formula_full": "Ca6 W2 O12",
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{
"id": "jvasp-30759",
"created_at": "2022-09-04T14:38:05.427416Z",
"updated_at": "2022-09-04T14:38:05.427435Z",
"structure_string": "Cr4 O10\n1.0\n11.098296 0.000000 0.000000\n0.000000 5.004266 -1.775003\n0.000000 -0.000000 3.550008\nCr O\n4 10\ndirect\n0.148036 0.902356 0.951179 Cr\n0.351964 0.097645 0.548823 Cr\n0.648036 0.097645 0.548823 Cr\n0.851964 0.902356 0.951179 Cr\n0.000000 0.023676 0.011838 O\n0.133811 0.589941 0.794972 O\n0.182638 0.001770 0.500885 O\n0.317363 0.998229 0.999116 O\n0.366189 0.410060 0.705031 O\n0.500000 0.976325 0.488164 O\n0.633811 0.410060 0.705031 O\n0.866189 0.589941 0.794972 O\n0.682638 0.998229 0.999116 O\n0.817363 0.001770 0.500885 O\n",
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"spacegroup": 63
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{
"id": "jvasp-38963",
"created_at": "2022-09-04T14:37:57.274654Z",
"updated_at": "2022-09-04T14:37:57.274689Z",
"structure_string": "V2 Mo1 Os1\n1.0\n0.000000 3.042585 3.042585\n3.042585 -0.000000 3.042585\n3.042585 3.042585 -0.000000\nV Mo Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500003 0.500003 0.500003 V\n0.249999 0.249999 0.249999 Mo\n0.750000 0.750000 0.750000 Os\n",
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{
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"structure_string": "Ga1 Cu1 Pd2\n1.0\n3.726400 -0.000000 2.151438\n1.242133 3.513284 2.151438\n-0.000000 -0.000000 4.302876\nGa Cu Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.499999 0.500001 Cu\n0.250000 0.250000 0.250001 Pd\n0.750000 0.749999 0.750002 Pd\n",
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{
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"created_at": "2022-09-04T14:38:27.864786Z",
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"structure_string": "Li2 Zn1 Cu3\n1.0\n4.261714 -0.000955 2.492168\n1.429186 4.014926 2.492168\n-0.001354 -0.000955 4.936913\nLi Zn Cu\n2 1 3\ndirect\n0.122359 0.122359 0.122359 Li\n0.877642 0.877640 0.877641 Li\n0.500001 0.499999 0.500000 Zn\n0.500000 -0.000001 0.500000 Cu\n0.000001 0.500000 0.499999 Cu\n0.500000 0.500000 0.000000 Cu\n",
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{
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"structure_string": "Sc2 Al1 Co3\n1.0\n4.309035 0.013762 2.118692\n1.324991 4.100289 2.118692\n0.018847 0.013762 4.801696\nSc Al Co\n2 1 3\ndirect\n0.626149 0.626147 0.626147 Sc\n0.373853 0.373852 0.373852 Sc\n0.000000 0.000000 0.000000 Al\n-0.000000 0.500000 -0.000000 Co\n0.500001 -0.000000 -0.000000 Co\n0.000000 -0.000000 0.500000 Co\n",
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}