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{
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{
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{
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"updated_at": "2022-09-04T14:38:35.960962Z",
"structure_string": "Er1 Rh2 Pb1\n1.0\n0.000001 3.347815 3.347859\n3.347846 0.000013 3.347846\n3.347859 3.347814 0.000002\nEr Rh Pb\n1 2 1\ndirect\n0.250002 0.249999 0.249999 Er\n0.999998 0.000003 -0.000000 Rh\n0.499998 0.500001 0.499999 Rh\n0.749999 0.750003 0.750000 Pb\n",
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"updated_at": "2022-09-04T14:38:35.955997Z",
"structure_string": "Na6 Cd7 S10\n1.0\n12.796324 0.013427 4.089141\n12.112430 4.127361 4.089141\n0.013402 0.002228 10.426370\nNa Cd S\n6 7 10\ndirect\n0.707389 0.707390 0.378045 Na\n0.300507 0.300508 0.583186 Na\n0.119687 0.119688 0.249302 Na\n0.892649 0.892650 0.759240 Na\n0.989534 0.989535 0.184374 Na\n0.002843 0.002843 0.818470 Na\n0.350398 0.350398 0.047293 Cd\n0.751019 0.751021 0.900616 Cd\n0.159851 0.159852 0.711904 Cd\n0.608654 0.608655 0.030792 Cd\n0.445629 0.445630 0.476361 Cd\n0.563071 0.563072 0.520892 Cd\n0.846085 0.846087 0.298199 Cd\n0.909766 0.909767 0.050507 S\n0.535751 0.535752 0.290759 S\n0.471675 0.471676 0.693953 S\n0.886959 0.886960 0.486807 S\n0.122572 0.122573 0.510092 S\n0.683676 0.683677 0.126940 S\n0.314476 0.314477 0.848729 S\n0.287866 0.287866 0.303330 S\n0.720098 0.720100 0.682136 S\n0.081029 0.081030 0.931075 S\n",
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{
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"updated_at": "2022-09-04T14:38:35.944994Z",
"structure_string": "Nb1 W9 Se20\n1.0\n-0.337371 -5.789224 -0.000000\n-0.000000 0.000001 13.121472\n-8.187744 3.381611 0.000000\nNb W Se\n1 9 20\ndirect\n0.734816 0.750000 0.800027 Nb\n0.866545 0.250000 0.399968 W\n0.134597 0.750000 0.598257 W\n0.066511 0.250000 0.799976 W\n0.336365 0.750000 0.001790 W\n0.266553 0.250000 0.199983 W\n0.529463 0.750000 0.397164 W\n0.466571 0.250000 0.599986 W\n0.932323 0.750000 0.202885 W\n0.666560 0.250000 0.999965 W\n0.133258 0.122439 0.599992 Se\n0.462905 0.621194 0.595381 Se\n0.533139 0.122434 0.399935 Se\n0.533139 0.377566 0.399935 Se\n0.462905 0.878806 0.595381 Se\n0.263456 0.622498 0.198844 Se\n0.333240 0.122439 0.999959 Se\n0.333240 0.377561 0.999959 Se\n0.667551 0.878806 0.004669 Se\n0.733237 0.377652 0.799975 Se\n0.733237 0.122348 0.799975 Se\n0.667551 0.621193 0.004669 Se\n0.864631 0.877502 0.401202 Se\n0.933178 0.377566 0.200016 Se\n0.263456 0.877502 0.198844 Se\n0.864631 0.622498 0.401202 Se\n0.075248 0.878346 0.800022 Se\n0.133258 0.377561 0.599992 Se\n0.075248 0.621653 0.800022 Se\n0.933178 0.122434 0.200016 Se\n",
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{
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"updated_at": "2022-09-04T14:38:35.944490Z",
"structure_string": "Li2 Co4 P4 O16\n1.0\n5.015684 0.000000 0.000000\n-0.000000 6.752338 4.956596\n-0.000000 0.083222 9.973089\nLi Co P O\n2 4 4 16\ndirect\n0.405322 0.504649 0.504583 Li\n0.594677 0.504649 0.004583 Li\n0.065386 0.494054 0.247259 Co\n0.406680 -0.002778 0.756227 Co\n0.593320 -0.002777 0.256227 Co\n0.934613 0.494054 0.747260 Co\n0.436275 0.753342 0.630368 P\n0.087260 0.244361 0.120462 P\n0.563724 0.753342 0.130368 P\n0.912739 0.244361 0.620462 P\n0.522138 0.948268 0.600763 O\n0.136798 0.721515 0.673218 O\n0.499871 0.758397 0.474407 O\n0.035137 0.266233 0.957746 O\n0.590895 0.568087 0.780241 O\n0.389845 0.243529 0.157129 O\n0.955937 0.050360 0.268120 O\n0.409105 0.568087 0.280241 O\n0.500128 0.758397 0.974407 O\n0.044062 0.050360 0.768120 O\n0.964260 0.432514 0.096544 O\n0.477861 0.948268 0.100762 O\n0.610154 0.243528 0.657130 O\n0.863201 0.721516 0.173218 O\n-0.035137 0.266233 0.457746 O\n0.035739 0.432514 0.596544 O\n",
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"structure_string": "Zn4 Ni4 P8 O28\n1.0\n0.000000 6.996563 0.028727\n8.352937 0.000000 0.000000\n0.000000 -3.608204 -8.270894\nZn Ni P O\n4 4 8 28\ndirect\n0.699789 0.945419 0.822884 Zn\n0.300211 0.445418 0.677115 Zn\n0.699788 0.554582 0.322885 Zn\n0.300211 0.054582 0.177115 Zn\n0.228587 0.074786 0.610022 Ni\n0.771412 0.925214 0.389977 Ni\n0.771413 0.574786 0.889977 Ni\n0.228587 0.425214 0.110022 Ni\n0.942557 0.269070 0.761912 P\n0.472559 0.728401 0.532293 P\n0.942557 0.230930 0.261912 P\n0.472559 0.771599 0.032294 P\n0.057443 0.769070 0.738087 P\n0.527441 0.228401 0.967706 P\n0.057442 0.730930 0.238087 P\n0.527440 0.271599 0.467706 P\n0.898337 0.112877 0.825361 O\n0.118778 0.240132 0.201072 O\n0.521950 0.908930 0.155961 O\n0.369188 0.236084 0.046572 O\n0.630811 0.763916 0.953427 O\n0.478050 0.408930 0.344039 O\n0.521950 0.591071 0.655960 O\n0.898337 0.387123 0.325361 O\n0.881222 0.740132 0.298928 O\n0.553354 0.108988 0.398954 O\n0.019340 0.589989 0.119628 O\n0.446645 0.891012 0.601046 O\n0.744932 0.326132 0.603996 O\n0.980659 0.089989 0.380372 O\n0.881222 0.759868 0.798927 O\n0.980659 0.410011 0.880372 O\n0.019341 0.910011 0.619627 O\n0.369189 0.263916 0.546572 O\n0.478050 0.091071 0.844039 O\n0.446645 0.608988 0.101046 O\n0.630811 0.736084 0.453427 O\n0.255068 0.826132 0.896003 O\n0.553355 0.391012 0.898953 O\n0.101663 0.887124 0.174639 O\n0.101663 0.612877 0.674638 O\n0.744932 0.173869 0.103996 O\n0.118778 0.259868 0.701072 O\n0.255068 0.673869 0.396004 O\n",
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"formula_reduced": "LuOs3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.8451126875,
"spacegroup": 194
}
]
}