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{
"id": "jvasp-50883",
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"updated_at": "2022-09-04T14:36:57.511764Z",
"structure_string": "Tm4 H4 O8\n1.0\n3.446029 0.000000 0.000000\n0.000000 4.972631 0.000000\n0.000000 0.000000 10.766262\nTm H O\n4 4 8\ndirect\n0.250000 0.093692 0.856152 Tm\n0.250000 0.406308 0.356152 Tm\n0.750000 0.593692 0.643848 Tm\n0.750000 0.906308 0.143848 Tm\n0.250000 0.130122 0.597899 H\n0.250000 0.369878 0.097899 H\n0.750000 0.630122 0.902100 H\n0.750000 0.869877 0.402101 H\n0.250000 0.180162 0.065604 O\n0.750000 0.157367 0.309885 O\n0.750000 0.342633 0.809885 O\n0.250000 0.319838 0.565604 O\n0.750000 0.680162 0.434396 O\n0.250000 0.657367 0.190115 O\n0.250000 0.842633 0.690114 O\n0.750000 0.819837 0.934396 O\n",
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{
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"structure_string": "Cu4 Se8 Br4\n1.0\n0.000000 7.937295 0.149306\n4.894470 0.000000 0.000000\n0.000000 -5.196536 -10.725270\nCu Se Br\n4 8 4\ndirect\n0.683508 0.330221 0.747427 Cu\n0.316491 0.830221 0.752573 Cu\n0.316492 0.669779 0.252573 Cu\n0.683508 0.169779 0.247427 Cu\n0.201474 0.003887 0.347861 Se\n0.798526 0.503887 0.152138 Se\n0.798526 -0.003887 0.652138 Se\n0.201473 0.496113 0.847861 Se\n0.075884 0.168083 0.657433 Se\n0.924116 0.668083 0.842566 Se\n0.924116 0.831917 0.342566 Se\n0.075884 0.331917 0.157433 Se\n0.603292 0.420760 0.394388 Br\n0.396708 0.920760 0.105612 Br\n0.396708 0.579240 0.605612 Br\n0.603292 0.079240 0.894388 Br\n",
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{
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"updated_at": "2022-09-04T14:36:44.763757Z",
"structure_string": "Nb4 S12\n1.0\n4.981438 0.001006 -0.613289\n0.001798 6.819227 0.004199\n0.023192 0.006106 9.243043\nNb S\n4 12\ndirect\n0.281997 0.148389 0.646577 Nb\n0.284961 0.598135 0.655892 Nb\n0.718004 0.851612 0.353423 Nb\n0.715039 0.401867 0.344108 Nb\n0.466409 0.633188 0.162367 S\n0.240473 0.866208 0.456199 S\n0.235540 0.385471 0.436842 S\n0.764461 0.614531 0.563158 S\n0.130883 0.367610 0.845000 S\n0.759527 0.133794 0.543801 S\n0.477680 0.122798 0.186159 S\n0.522320 0.877204 0.813841 S\n0.533592 0.366814 0.837633 S\n0.869118 0.632391 0.154999 S\n0.880884 0.123457 0.184243 S\n0.119117 0.876545 0.815756 S\n",
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{
"id": "jvasp-54721",
"created_at": "2022-09-04T14:36:58.182500Z",
"updated_at": "2022-09-04T14:36:58.182521Z",
"structure_string": "Ga4 H4 O8\n1.0\n4.936767 3.003788 0.000000\n0.000000 3.003788 4.329277\n4.936767 0.000000 4.329277\nGa H O\n4 4 8\ndirect\n0.072704 0.072704 0.677297 Ga\n0.590423 0.590423 0.159577 Ga\n0.840423 0.840423 0.409577 Ga\n0.322704 0.322704 0.927297 Ga\n0.571232 0.092210 0.192104 H\n0.807897 0.355546 0.428769 H\n0.092210 0.571232 0.644454 H\n0.355546 0.807897 0.907791 H\n0.035139 0.625772 -0.138800 O\n0.625772 0.035139 0.977891 O\n0.138800 0.022110 0.964862 O\n0.022110 0.138800 0.374229 O\n0.533743 0.131252 0.356134 O\n0.643867 0.521129 0.466258 O\n0.131252 0.533743 0.478871 O\n0.521129 0.643867 -0.131252 O\n",
"nsites": 16,
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"volume": 128.39771002347882,
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{
"id": "jvasp-103950",
"created_at": "2022-09-04T14:36:58.136253Z",
"updated_at": "2022-09-04T14:36:58.136271Z",
"structure_string": "Hf1 H6 C5 O4\n1.0\n3.472438 -0.011171 0.389889\n1.504844 3.746903 0.588116\n0.052081 -0.000993 8.995598\nHf H C O\n1 6 5 4\ndirect\n0.075810 0.965186 0.328270 Hf\n0.561297 0.098275 0.908667 H\n0.906552 0.301996 0.913474 H\n0.885840 0.577249 0.602463 H\n0.826871 0.170366 0.659219 H\n0.069485 0.655588 0.771267 H\n0.403184 0.877702 0.776177 H\n0.457962 0.491135 0.482844 C\n0.654612 0.455903 0.630399 C\n0.400434 0.458780 0.068231 C\n0.395835 0.613084 0.772633 C\n0.573216 0.361216 0.912547 C\n0.745166 0.566557 0.344936 O\n0.480874 0.143745 0.460646 O\n0.201564 0.774710 0.095683 O\n0.481215 0.198049 0.175168 O\n",
"nsites": 16,
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"formula_full": "Hf1 H6 C5 O4",
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},
{
"id": "jvasp-103912",
"created_at": "2022-09-04T14:36:57.409405Z",
"updated_at": "2022-09-04T14:36:57.409427Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n4.280764 -0.123613 1.291945\n1.916527 4.427707 0.703533\n0.275042 -0.286408 7.687239\nZn H C O\n1 6 5 4\ndirect\n0.273351 0.056650 0.268616 Zn\n0.350215 0.627632 0.664533 H\n0.088348 0.616856 0.537173 H\n0.227301 0.182075 0.852054 H\n0.889983 0.701619 0.971430 H\n0.946439 0.217116 0.725901 H\n0.629500 0.764225 0.832172 H\n0.562049 0.257211 0.483031 C\n0.260247 0.479514 0.617199 C\n0.058506 0.340765 0.777717 C\n0.780291 0.587969 0.908974 C\n0.529099 0.492666 0.062053 C\n0.830601 0.318438 0.419192 O\n0.544211 0.022401 0.437427 O\n0.531320 0.231762 0.054126 O\n0.315453 0.671214 0.193691 O\n",
"nsites": 16,
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"volume": 146.0809998677393,
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"formula_full": "Zn1 H6 C5 O4",
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"formula_anonymous": "AB4C5D6",
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"spacegroup": 1
},
{
"id": "jvasp-13024",
"created_at": "2022-09-04T14:36:46.254274Z",
"updated_at": "2022-09-04T14:36:46.254299Z",
"structure_string": "Li2 Dy4 Br10\n1.0\n6.154638 -0.000000 -2.605815\n-0.219932 7.698645 -0.519456\n0.032743 0.158753 8.648518\nLi Dy Br\n2 4 10\ndirect\n0.500000 0.499999 0.500000 Li\n-0.000000 -0.000000 0.500000 Li\n0.263549 0.071301 0.152485 Dy\n0.111064 0.428698 0.847515 Dy\n0.736451 0.928698 0.847515 Dy\n0.888936 0.571301 0.152484 Dy\n0.728657 0.170116 0.584691 Br\n0.143965 0.329883 0.415308 Br\n0.125679 0.750000 -0.000000 Br\n0.874322 0.250000 -0.000001 Br\n0.689203 0.905229 0.181919 Br\n0.507283 0.594770 0.818080 Br\n0.310797 0.094770 0.818080 Br\n0.492717 0.405229 0.181920 Br\n0.856035 0.670116 0.584691 Br\n0.271343 0.829883 0.415308 Br\n",
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],
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"formula_full": "Li2 Dy4 Br10",
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"formula_anonymous": "AB2C5",
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"spacegroup": 15
},
{
"id": "jvasp-76241",
"created_at": "2022-09-04T14:37:00.032701Z",
"updated_at": "2022-09-04T14:37:00.032730Z",
"structure_string": "Yb10 Pb6\n1.0\n9.309505 -0.000000 0.000000\n-4.654752 8.062267 -0.000000\n-0.000000 -0.000000 6.717387\nYb Pb\n10 6\ndirect\n0.000000 0.727432 0.750000 Yb\n0.727432 0.727432 0.250000 Yb\n0.272568 0.272568 0.750000 Yb\n0.727432 0.000000 0.750000 Yb\n0.333333 0.666667 0.500000 Yb\n0.272568 0.000000 0.250000 Yb\n0.000000 0.272568 0.250000 Yb\n0.666667 0.333333 0.500000 Yb\n0.333333 0.666667 0.000000 Yb\n0.666667 0.333333 0.000000 Yb\n0.383164 0.383164 0.250000 Pb\n0.000000 0.383164 0.750000 Pb\n0.616836 0.616836 0.750000 Pb\n0.000000 0.616836 0.250000 Pb\n0.616836 0.000000 0.250000 Pb\n0.383164 0.000000 0.750000 Pb\n",
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{
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"created_at": "2022-09-04T14:36:58.111489Z",
"updated_at": "2022-09-04T14:36:58.111514Z",
"structure_string": "H8 C4 O4\n1.0\n3.582262 0.000000 0.000000\n0.000000 4.630542 0.000000\n0.000000 0.000000 7.272223\nH C O\n8 4 4\ndirect\n0.008985 0.640978 0.207603 H\n0.313078 0.422642 0.065597 H\n0.508985 0.859021 0.792396 H\n0.813078 0.077358 0.934403 H\n0.491015 0.359021 0.707603 H\n0.186922 0.577357 0.565596 H\n0.991014 0.140979 0.292396 H\n0.686921 0.922642 0.434403 H\n0.339227 0.371928 0.576575 C\n0.839227 0.128072 0.423424 C\n0.160773 0.628072 0.076575 C\n0.660772 0.871927 0.923424 C\n0.091732 0.132169 0.575071 O\n0.591732 0.367831 0.424928 O\n0.408268 0.867831 0.075072 O\n0.908268 0.632169 0.924928 O\n",
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{
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"structure_string": "Zr1 H6 C5 O4\n1.0\n5.497436 -0.014742 -1.405059\n-3.167713 4.713046 -1.371519\n0.031213 0.159886 6.450794\nZr H C O\n1 6 5 4\ndirect\n0.253647 0.260803 0.234471 Zr\n0.612745 0.820912 0.097249 H\n0.802809 0.930891 0.747309 H\n-0.002875 0.918415 0.526710 H\n0.651866 0.254387 -0.002682 H\n0.513033 0.415015 0.907649 H\n0.132489 0.683761 0.703921 H\n0.842915 0.978584 0.931521 C\n0.043925 0.078545 0.454649 C\n0.949497 0.484047 0.562191 C\n0.244368 0.627395 0.224003 C\n0.003478 0.281140 0.491772 C\n0.260410 0.832448 0.208524 O\n0.705039 0.460481 0.475087 O\n0.482814 0.272755 0.976164 O\n0.581326 0.777529 0.933379 O\n",
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{
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"created_at": "2022-09-04T14:37:05.010327Z",
"updated_at": "2022-09-04T14:37:05.010355Z",
"structure_string": "Mg2 Ti4 S10\n1.0\n0.000000 6.063757 -0.004163\n3.826184 0.000000 0.000000\n0.000000 -0.010660 -14.934026\nMg Ti S\n2 4 10\ndirect\n0.047183 0.500000 0.750007 Mg\n0.952824 0.000000 0.249997 Mg\n0.540721 0.000000 0.898915 Ti\n0.459272 0.500000 0.101084 Ti\n0.459279 0.500000 0.398917 Ti\n0.540729 0.000000 0.601081 Ti\n0.618581 0.500000 0.249998 S\n0.381417 0.000000 0.750001 S\n0.337522 0.500000 0.938255 S\n0.662469 0.000000 0.061745 S\n0.337528 0.500000 0.561740 S\n0.662478 0.000000 0.438259 S\n0.889167 0.000000 0.643765 S\n0.110838 0.500000 0.356237 S\n0.110832 0.500000 0.143759 S\n0.889162 0.000000 0.856241 S\n",
"nsites": 16,
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],
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{
"id": "jvasp-60667",
"created_at": "2022-09-04T14:36:59.953735Z",
"updated_at": "2022-09-04T14:36:59.953757Z",
"structure_string": "Cu4 Te8 Cl4\n1.0\n0.000000 8.245219 0.000117\n5.040777 0.000000 0.000000\n0.000000 -5.582873 -10.779231\nCu Te Cl\n4 8 4\ndirect\n0.827718 0.856894 0.252139 Cu\n0.172283 0.356894 0.247861 Cu\n0.172283 0.143107 0.747861 Cu\n0.827718 0.643107 0.752139 Cu\n0.581658 0.209173 0.139269 Te\n0.418342 0.709174 0.360730 Te\n0.418342 0.790827 0.860730 Te\n0.581658 0.290827 0.639269 Te\n0.264833 0.009767 0.133377 Te\n0.735167 0.509768 0.366623 Te\n0.735167 0.990233 0.866623 Te\n0.264833 0.490233 0.633377 Te\n0.089775 0.104905 0.378764 Cl\n0.910225 0.604905 0.121236 Cl\n0.910225 0.895096 0.621236 Cl\n0.089775 0.395096 0.878764 Cl\n",
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],
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}
]
}