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{
"id": "jvasp-108862",
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"structure_string": "Rb2 Na1 Pd1 F6\n1.0\n5.250121 -0.000000 3.031159\n1.750040 4.949861 3.031159\n-0.000000 -0.000000 6.062317\nRb Na Pd F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750001 Rb\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Pd\n0.238912 0.238912 0.761089 F\n0.238912 0.761088 0.761089 F\n0.761088 0.761088 0.238912 F\n0.238912 0.761088 0.238912 F\n0.761088 0.238912 0.761089 F\n0.761088 0.238912 0.238912 F\n",
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{
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{
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"updated_at": "2022-09-04T14:38:14.708409Z",
"structure_string": "Li4 Cr2 Si4 O12\n1.0\n2.990309 4.948446 0.075178\n-2.990309 4.948446 -0.075178\n-0.339505 0.000000 8.912985\nLi Cr Si O\n4 2 4 12\ndirect\n0.605408 0.690503 0.884928 Li\n0.309498 0.394593 0.384928 Li\n0.690502 0.605409 0.615073 Li\n0.394592 0.309498 0.115073 Li\n0.238859 0.238860 0.750000 Cr\n0.761141 0.761141 0.250000 Cr\n0.127246 0.793216 0.639443 Si\n0.206785 0.872754 0.139443 Si\n0.793215 0.127247 0.860557 Si\n0.872754 0.206785 0.360557 Si\n0.762705 0.508443 0.409043 O\n0.491557 0.237296 0.909043 O\n0.000000 0.000000 0.000000 O\n0.131232 0.131232 0.250000 O\n-0.000000 0.000000 0.500000 O\n0.351306 0.846443 0.723559 O\n0.508443 0.762705 0.090957 O\n0.237295 0.491558 0.590958 O\n0.153558 0.648694 0.223559 O\n0.846442 0.351307 0.776442 O\n0.868768 0.868769 0.750000 O\n0.648694 0.153558 0.276442 O\n",
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"elements": [
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"density_atomic": 0.08332377007081777,
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{
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"created_at": "2022-09-04T14:38:29.213306Z",
"updated_at": "2022-09-04T14:38:29.213327Z",
"structure_string": "Pr6 Cu2 Si2 S14\n1.0\n5.125786 -8.878121 -0.000000\n5.125786 8.878121 0.000000\n-0.000000 -0.000000 5.801734\nPr Cu Si S\n6 2 2 14\ndirect\n0.767462 0.124964 0.733025 Pr\n0.642498 0.767462 0.233025 Pr\n0.357503 0.232538 0.733025 Pr\n0.124964 0.357502 0.233025 Pr\n0.875037 0.642498 0.733025 Pr\n0.232539 0.875036 0.233025 Pr\n0.000000 0.000000 0.211056 Cu\n0.000000 0.000000 0.711056 Cu\n0.333333 0.666667 0.816840 Si\n0.666667 0.333333 0.316840 Si\n0.412551 0.524930 0.959172 S\n0.912499 0.747672 0.220117 S\n0.112379 0.587450 0.959172 S\n0.252329 0.164829 0.220117 S\n0.164829 0.912499 0.720117 S\n0.475070 0.887622 0.959172 S\n0.524930 0.112379 0.459172 S\n0.887622 0.412551 0.459172 S\n0.835172 0.087502 0.220117 S\n0.333333 0.666667 0.452428 S\n0.087502 0.252329 0.720117 S\n0.587450 0.475070 0.459172 S\n0.666667 0.333333 0.952428 S\n0.747672 0.835172 0.720117 S\n",
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{
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"created_at": "2022-09-04T14:38:30.222356Z",
"updated_at": "2022-09-04T14:38:30.222379Z",
"structure_string": "Ba1 Y1 Fe4 O7\n1.0\n5.515790 -0.000000 3.184543\n1.838597 5.200336 3.184543\n-0.000000 -0.000000 6.369085\nBa Y Fe O\n1 1 4 7\ndirect\n0.750000 0.750001 0.749999 Ba\n0.000000 0.000000 0.000000 Y\n0.379515 0.379515 0.861457 Fe\n0.379515 0.861457 0.379514 Fe\n0.861457 0.379515 0.379514 Fe\n0.379515 0.379515 0.379514 Fe\n0.751055 0.751056 0.248944 O\n0.248945 0.751056 0.248944 O\n0.751055 0.248945 0.248945 O\n0.248945 0.248945 0.751055 O\n0.751055 0.248945 0.751055 O\n0.248945 0.751056 0.751055 O\n0.250000 0.250000 0.250000 O\n",
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{
"id": "jvasp-109482",
"created_at": "2022-09-04T14:38:19.865537Z",
"updated_at": "2022-09-04T14:38:19.865562Z",
"structure_string": "Rb2 Ga1 Ag1 Br6\n1.0\n6.576754 -0.000000 3.797091\n2.192251 6.200623 3.797091\n-0.000000 -0.000000 7.594181\nRb Ga Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.759527 0.240473 0.240473 Br\n0.240473 0.240473 0.759527 Br\n0.240473 0.759527 0.759527 Br\n0.240473 0.759527 0.240473 Br\n0.759527 0.240473 0.759527 Br\n0.759527 0.759527 0.240473 Br\n",
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{
"id": "jvasp-98501",
"created_at": "2022-09-04T14:38:13.035322Z",
"updated_at": "2022-09-04T14:38:13.035342Z",
"structure_string": "La6 Mn2 Ga2 S14\n1.0\n10.038149 -0.000000 -0.000000\n-5.019074 8.693291 0.000000\n-0.000000 0.000000 6.123702\nLa Mn Ga S\n6 2 2 14\ndirect\n0.154012 0.373128 0.019041 La\n0.780884 0.154012 0.519040 La\n0.373128 0.219116 0.519040 La\n0.626872 0.780884 0.019041 La\n0.219116 0.845988 0.019041 La\n0.845988 0.626872 0.519040 La\n0.000000 0.000000 0.192959 Mn\n0.000000 0.000000 0.692959 Mn\n0.666667 0.333333 0.096516 Ga\n0.333333 0.666667 0.596515 Ga\n0.477649 0.909962 0.737164 S\n0.567687 0.477648 0.237164 S\n0.909962 0.432313 0.237164 S\n0.090038 0.567686 0.737164 S\n0.432314 0.522352 0.737164 S\n0.522352 0.090038 0.237164 S\n0.089782 0.214243 0.441105 S\n0.910219 0.785756 0.941105 S\n0.875538 0.089782 0.941105 S\n0.124462 0.910218 0.441105 S\n0.333333 0.666667 0.229296 S\n0.214244 0.124462 0.941105 S\n0.785757 0.875538 0.441105 S\n0.666667 0.333333 0.729296 S\n",
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{
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"structure_string": "Li3 Al2 V1 O6\n1.0\n2.490928 4.312284 0.013878\n-2.490928 4.312284 -0.013878\n-1.692513 0.000000 4.748198\nLi Al V O\n3 2 1 6\ndirect\n0.167951 0.167951 0.500000 Li\n0.500000 0.499999 0.500000 Li\n0.832048 0.832048 0.500000 Li\n0.333466 0.333466 0.000000 Al\n0.666533 0.666533 -0.000000 Al\n0.000000 0.000000 0.000000 V\n0.273990 0.726009 0.778796 O\n0.420678 0.926545 0.219272 O\n0.073454 0.579321 0.219272 O\n0.926545 0.420677 0.780728 O\n0.579322 0.073454 0.780728 O\n0.726010 0.273990 0.221205 O\n",
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"created_at": "2022-09-04T14:38:19.863862Z",
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"structure_string": "K2 Na1 Ti1 F6\n1.0\n5.132347 -0.000000 2.963162\n1.710782 4.838823 2.963162\n-0.000000 -0.000000 5.926324\nK Na Ti F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.749999 K\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Ti\n0.236019 0.236019 0.763981 F\n0.236019 0.763981 0.763981 F\n0.763981 0.763981 0.236018 F\n0.236019 0.763981 0.236019 F\n0.763982 0.236019 0.763980 F\n0.763982 0.236019 0.236018 F\n",
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{
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"structure_string": "Rb2 Zr2 Cd2 F14\n1.0\n6.540904 0.019105 0.000000\n-2.947802 5.839028 -0.000000\n0.000000 0.000000 8.571164\nRb Zr Cd F\n2 2 2 14\ndirect\n0.500000 0.500000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.806382 0.193617 0.750000 Zr\n0.193618 0.806382 0.250000 Zr\n0.807704 0.192295 0.250000 Cd\n0.192296 0.807705 0.750000 Cd\n0.205098 0.794902 0.486369 F\n0.205098 0.794902 0.013631 F\n0.990283 0.009715 0.750000 F\n0.472979 0.173441 0.750000 F\n0.826558 0.527020 0.750000 F\n0.435533 0.154491 0.250000 F\n0.527020 0.826558 0.250000 F\n0.173442 0.472980 0.250000 F\n0.009716 0.990285 0.250000 F\n0.564467 0.845509 0.750000 F\n0.154491 0.435533 0.750000 F\n0.794902 0.205097 0.513631 F\n0.794902 0.205097 0.986369 F\n0.845509 0.564467 0.250000 F\n",
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{
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"created_at": "2022-09-04T14:38:14.297482Z",
"updated_at": "2022-09-04T14:38:14.297507Z",
"structure_string": "Li2 Cr1 Co1 O4\n1.0\n5.070887 -0.137450 0.000000\n2.095681 4.619622 -0.000000\n-3.583285 -2.241085 2.805423\nLi Cr Co O\n2 1 1 4\ndirect\n0.250000 0.750000 0.499999 Li\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.499999 Cr\n0.000000 0.000000 0.000000 Co\n0.519086 0.019086 0.499999 O\n0.230644 0.230644 0.000000 O\n0.980915 0.480915 0.499999 O\n0.769357 0.769356 0.000000 O\n",
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]
}