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{
"id": "jvasp-86117",
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"structure_string": "Sm2 C3 N6\n1.0\n3.742797 -0.000000 -1.001239\n-0.141600 5.294846 -0.529323\n0.015780 0.002220 7.555211\nSm C N\n2 3 6\ndirect\n0.865683 0.928913 0.731367 Sm\n0.134317 0.071088 0.268633 Sm\n0.328118 0.405373 0.656235 C\n0.671882 0.594627 0.343765 C\n-0.000000 0.500000 0.000000 C\n0.988289 0.267814 0.976575 N\n0.689738 0.828776 0.379474 N\n0.657219 0.365544 0.314438 N\n0.011712 0.732187 0.023426 N\n0.310263 0.171225 0.620527 N\n0.342782 0.634457 0.685562 N\n",
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{
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{
"id": "jvasp-85748",
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"updated_at": "2022-09-04T14:35:42.073412Z",
"structure_string": "Yb2 Mo2 Cl2 O8\n1.0\n6.405474 0.455401 1.471731\n2.307677 5.992672 1.471731\n-0.071048 -0.052578 6.892854\nYb Mo Cl O\n2 2 2 8\ndirect\n0.279144 0.279144 0.861416 Yb\n0.720856 0.720855 0.138583 Yb\n0.353612 0.353611 0.278902 Mo\n0.646388 0.646388 0.721097 Mo\n-0.022924 -0.022924 0.868078 Cl\n0.022924 0.022924 0.131922 Cl\n0.504582 0.108939 0.146882 O\n0.485014 0.485014 0.752649 O\n0.108939 0.504582 0.146882 O\n0.514986 0.514986 0.247351 O\n0.495418 0.891060 0.853117 O\n0.891060 0.495418 0.853117 O\n0.274138 0.274137 0.533520 O\n0.725862 0.725862 0.466479 O\n",
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"density_atomic": 0.05421298886267092,
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{
"id": "jvasp-86770",
"created_at": "2022-09-04T14:35:42.240094Z",
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"structure_string": "Rb2 Cr2 Cl6\n1.0\n6.164271 0.022637 -0.272324\n-0.174876 6.004170 -3.459366\n0.043422 0.013045 6.965051\nRb Cr Cl\n2 2 6\ndirect\n0.756708 0.333368 0.666735 Rb\n0.243290 0.666633 0.333265 Rb\n0.500000 0.000000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.224662 0.675588 0.838271 Cl\n0.224663 0.162684 0.838271 Cl\n0.303492 0.166964 0.333927 Cl\n0.775337 0.324413 0.161729 Cl\n0.775336 0.837317 0.161729 Cl\n0.696507 0.833038 0.666073 Cl\n",
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{
"id": "jvasp-90491",
"created_at": "2022-09-04T14:35:42.328246Z",
"updated_at": "2022-09-04T14:35:42.328263Z",
"structure_string": "V2 Co1 O6\n1.0\n3.456419 -0.001380 0.000200\n-1.726531 4.425662 -1.526850\n-0.000625 -0.186532 6.669566\nV Co O\n2 1 6\ndirect\n0.790125 0.605374 0.336435 V\n0.184757 0.394622 0.663565 V\n0.987446 0.000000 0.000000 Co\n0.675005 0.375115 0.560355 O\n0.029035 0.083170 0.740345 O\n0.945854 0.916832 0.259655 O\n0.299885 0.624884 0.439646 O\n0.340930 0.706925 0.891988 O\n0.633959 0.293077 0.108014 O\n",
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{
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"created_at": "2022-09-04T14:35:42.221238Z",
"updated_at": "2022-09-04T14:35:42.221273Z",
"structure_string": "Na4 Pt1 O4\n1.0\n0.000043 -2.317154 -2.317007\n2.226764 4.624866 -2.307273\n6.708389 -0.004226 2.320541\nNa Pt O\n4 1 4\ndirect\n0.996167 0.018899 0.976461 Na\n0.827680 0.463074 0.195490 Na\n0.399577 0.179078 0.622810 Na\n0.567992 0.734886 0.403770 Na\n0.197853 0.598978 0.799628 Pt\n0.396785 0.725687 0.071004 O\n0.998913 0.472274 0.528257 O\n0.768478 0.835028 0.704707 O\n0.627248 0.362936 0.894558 O\n",
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"volume": 119.7468636691074,
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"formula_full": "Na4 Pt1 O4",
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"spacegroup": 12
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{
"id": "jvasp-86873",
"created_at": "2022-09-04T14:35:42.289239Z",
"updated_at": "2022-09-04T14:35:42.289267Z",
"structure_string": "Sr8 Mn2 Fe1 N8\n1.0\n5.110198 0.000000 -1.443859\n-0.554901 7.181727 -1.963942\n-0.025288 0.065302 9.675594\nSr Mn Fe N\n8 2 1 8\ndirect\n0.401298 0.039033 0.802597 Sr\n0.334007 0.528694 0.668015 Sr\n0.973338 0.736366 0.946675 Sr\n0.200429 0.803589 0.400858 Sr\n0.799571 0.196411 0.599142 Sr\n0.026662 0.263635 0.053325 Sr\n0.665993 0.471306 0.331985 Sr\n0.598702 0.960967 0.197402 Sr\n0.186447 0.204810 0.372894 Mn\n0.813553 0.795191 0.627106 Mn\n0.500000 0.500000 0.000000 Fe\n0.724214 0.831356 0.448428 N\n0.275786 0.168644 0.551571 N\n0.822988 0.571204 0.645974 N\n0.105886 0.012929 0.211772 N\n0.894114 0.987072 0.788228 N\n0.177013 0.428797 0.354025 N\n0.476255 0.711345 0.952510 N\n0.523745 0.288655 0.047490 N\n",
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"volume": 355.5402320787928,
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{
"id": "jvasp-89132",
"created_at": "2022-09-04T14:35:42.482511Z",
"updated_at": "2022-09-04T14:35:42.482534Z",
"structure_string": "Na12 Nb4 O16\n1.0\n5.623291 0.002622 -1.243043\n-2.188177 8.210025 -1.325734\n0.009634 -0.003257 8.599423\nNa Nb O\n12 4 16\ndirect\n0.499999 0.499999 0.500000 Na\n-0.000001 0.376030 0.623969 Na\n-0.000000 0.500000 0.000000 Na\n0.999999 0.623969 0.376031 Na\n0.479365 0.626617 0.880965 Na\n0.520633 0.119034 0.373382 Na\n0.520633 0.373382 0.119035 Na\n0.479365 0.880965 0.626618 Na\n0.500000 -0.000000 0.000000 Na\n0.499999 0.740454 0.259546 Na\n0.499999 0.259545 0.740454 Na\n-0.000000 -0.000000 0.500000 Na\n-0.000001 0.866003 0.133997 Nb\n0.971072 0.738371 0.738371 Nb\n0.028926 0.261628 0.261629 Nb\n0.999999 0.133996 0.866003 Nb\n0.233013 0.246352 0.464963 O\n0.800330 0.887044 0.887045 O\n0.227589 0.875204 0.335786 O\n0.227589 0.335786 0.875205 O\n0.772409 0.124795 0.664214 O\n0.789902 0.347286 0.347287 O\n0.210096 0.652713 0.652713 O\n0.193838 0.767156 0.991729 O\n0.806160 0.008270 0.232843 O\n0.806160 0.232843 0.008271 O\n0.193838 0.991728 0.767157 O\n0.233013 0.464963 0.246352 O\n0.766985 0.753647 0.535037 O\n0.766985 0.535036 0.753648 O\n0.199668 0.112955 0.112955 O\n0.772409 0.664213 0.124795 O\n",
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{
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"updated_at": "2022-09-04T14:35:42.512745Z",
"structure_string": "Na1 Cu2 H2 Se2 O10\n1.0\n4.091156 3.155767 -2.355377\n-4.091156 3.155767 2.355377\n-0.314299 0.000000 7.804134\nNa Cu H Se O\n1 2 2 2 10\ndirect\n0.500000 0.500000 0.500000 Na\n-0.000000 0.500000 0.000000 Cu\n0.500000 -0.000000 -0.000000 Cu\n0.291997 0.708004 0.801196 H\n0.708004 0.291997 0.198804 H\n0.912795 0.087206 0.690358 Se\n0.087206 0.912795 0.309641 Se\n0.183201 0.255019 0.256899 O\n0.744982 0.816800 0.256899 O\n0.816800 0.744982 0.743100 O\n0.255019 0.183201 0.743100 O\n0.180223 0.819778 0.178635 O\n0.765757 0.234244 0.448227 O\n0.329821 0.670180 0.947751 O\n0.819778 0.180223 0.821365 O\n0.234243 0.765757 0.551773 O\n0.670180 0.329821 0.052248 O\n",
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{
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"created_at": "2022-09-04T14:35:42.594203Z",
"updated_at": "2022-09-04T14:35:42.594231Z",
"structure_string": "Ce4 Mg4\n1.0\n12.742455 0.000000 -0.855429\n0.000000 3.471139 0.000000\n-3.173191 0.000000 4.863429\nCe Mg\n4 4\ndirect\n0.642960 0.500000 0.847010 Ce\n0.857040 0.000000 0.152990 Ce\n0.142960 0.000000 0.847010 Ce\n0.357040 0.500000 0.152990 Ce\n0.871977 0.500000 0.671273 Mg\n0.628022 0.000000 0.328726 Mg\n0.371977 0.000000 0.671274 Mg\n0.128023 0.500000 0.328727 Mg\n",
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{
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"created_at": "2022-09-04T14:35:42.652030Z",
"updated_at": "2022-09-04T14:35:42.652049Z",
"structure_string": "Rb3 Cu8 S6\n1.0\n3.902619 0.000000 0.000000\n-1.951310 8.610437 -2.401399\n0.000000 -0.152091 9.897738\nRb Cu S\n3 8 6\ndirect\n0.309519 0.619038 0.697998 Rb\n0.690481 0.380962 0.302003 Rb\n0.500000 0.000000 0.000000 Rb\n0.480464 0.960929 0.358119 Cu\n0.905470 0.810941 0.201759 Cu\n0.696195 0.392388 0.909506 Cu\n0.093130 0.186259 0.537035 Cu\n0.094530 0.189060 0.798241 Cu\n0.906871 0.813741 0.462965 Cu\n0.519536 0.039071 0.641881 Cu\n0.303806 0.607612 0.090495 Cu\n0.345996 0.691993 0.352416 S\n0.654004 0.308007 0.647584 S\n0.836175 0.672351 0.977789 S\n0.038202 0.076404 0.299042 S\n0.961798 0.923597 0.700958 S\n0.163825 0.327650 0.022211 S\n",
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{
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"created_at": "2022-09-04T14:35:43.753130Z",
"updated_at": "2022-09-04T14:35:43.753166Z",
"structure_string": "Li3 Y1 Ni2 O6\n1.0\n2.594826 4.572690 0.069474\n-2.594826 4.572690 -0.069474\n-1.647363 0.000000 4.873991\nLi Y Ni O\n3 1 2 6\ndirect\n0.195126 0.195125 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.804875 0.804874 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.334034 0.334034 0.000000 Ni\n0.665966 0.665966 -0.000000 Ni\n0.302106 0.697894 0.766753 O\n0.069473 0.563326 0.230608 O\n0.436674 0.930527 0.230608 O\n0.930528 0.436673 0.769392 O\n0.563326 0.069472 0.769392 O\n0.697894 0.302106 0.233246 O\n",
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]
}