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{
"id": "jvasp-10342",
"created_at": "2022-09-04T14:37:27.514057Z",
"updated_at": "2022-09-04T14:37:27.514066Z",
"structure_string": "Ge4 Mo2 O12\n1.0\n5.527885 0.068072 1.313623\n1.550427 6.597447 0.725847\n0.185709 -0.050126 6.813222\nGe Mo O\n4 2 12\ndirect\n0.747359 0.388232 0.213943 Ge\n0.752643 0.786056 0.611768 Ge\n0.252643 0.611768 0.786056 Ge\n0.247358 0.213943 0.388232 Ge\n0.750001 0.905781 0.094219 Mo\n0.250001 0.094218 0.905781 Mo\n0.631683 0.958892 0.820395 O\n0.868319 0.179605 0.041107 O\n0.732037 0.626316 0.083304 O\n0.767966 0.916696 0.373685 O\n0.267965 0.373685 0.916695 O\n0.559287 0.613800 0.647398 O\n-0.059286 0.352601 0.386200 O\n0.131683 0.820395 0.958893 O\n0.059286 0.647398 0.613800 O\n0.440715 0.386199 0.352601 O\n0.232036 0.083304 0.626315 O\n0.368319 0.041107 0.179605 O\n",
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{
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"updated_at": "2022-09-04T14:37:28.603181Z",
"structure_string": "Ta4 Zn2 O12\n1.0\n5.193872 0.001495 0.000073\n-0.001586 5.672721 0.001766\n0.000004 -0.000107 7.543069\nTa Zn O\n4 2 12\ndirect\n0.490498 0.000008 0.993939 Ta\n0.990502 0.499997 0.006074 Ta\n0.990486 0.499959 0.493939 Ta\n0.490490 0.000049 0.506073 Ta\n0.458961 0.500186 0.750004 Zn\n0.958960 -0.000178 0.250007 Zn\n0.339259 0.000040 0.250005 O\n0.839257 0.499973 0.750008 O\n0.275952 0.271866 0.934008 O\n0.775951 0.228139 0.066005 O\n0.275645 0.728405 0.566018 O\n0.275132 0.728890 0.934006 O\n0.775134 0.771116 0.066006 O\n0.607549 -0.000060 0.750003 O\n0.775415 0.228629 0.434014 O\n0.275416 0.271378 0.565997 O\n0.775648 0.771603 0.433994 O\n0.107549 0.500065 0.250006 O\n",
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"spacegroup": 44
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{
"id": "jvasp-22966",
"created_at": "2022-09-04T14:37:31.737879Z",
"updated_at": "2022-09-04T14:37:31.737901Z",
"structure_string": "Hf6 Ge6 Pd6\n1.0\n0.000000 6.712825 -0.002119\n3.949926 0.000000 0.000000\n0.000000 -0.030710 -11.549904\nHf Ge Pd\n6 6 6\ndirect\n0.336564 0.250000 0.079940 Hf\n0.663437 0.750001 0.920059 Hf\n0.464699 0.250000 0.378272 Hf\n0.535301 0.750001 0.621728 Hf\n0.967005 0.250000 0.292282 Hf\n0.032996 0.750001 0.707718 Hf\n0.254031 0.750001 0.916384 Ge\n0.745970 0.250000 0.083615 Ge\n0.259343 0.750001 0.250184 Ge\n0.740658 0.250000 0.749815 Ge\n0.746419 0.750001 0.414944 Ge\n0.253581 0.250000 0.585056 Ge\n0.001984 0.750001 0.091044 Pd\n0.998017 0.250000 0.908956 Pd\n0.142313 0.750001 0.458760 Pd\n0.857687 0.250000 0.541240 Pd\n0.625044 0.750001 0.205795 Pd\n0.374957 0.250000 0.794205 Pd\n",
"nsites": 18,
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"spacegroup": 11
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{
"id": "jvasp-29756",
"created_at": "2022-09-04T14:37:14.795504Z",
"updated_at": "2022-09-04T14:37:14.795528Z",
"structure_string": "Ga4 Fe4 S10\n1.0\n3.603000 -0.000040 0.000080\n-1.801528 3.120256 -0.000090\n0.000398 -0.000449 29.988062\nGa Fe S\n4 4 10\ndirect\n0.333291 0.666719 0.911821 Ga\n0.666671 0.333376 0.088179 Ga\n0.666651 0.333396 0.411820 Ga\n0.333401 0.666526 0.588180 Ga\n0.000029 -0.000070 0.704448 Fe\n0.000006 0.000042 0.204446 Fe\n-0.000039 -0.000041 0.795554 Fe\n-0.000014 0.000053 0.295552 Fe\n0.333331 0.666738 0.447387 S\n0.666680 0.333370 0.162974 S\n0.333365 0.666693 0.052612 S\n0.666723 0.333199 0.552613 S\n0.666653 0.333394 0.337025 S\n0.333369 0.666582 0.662974 S\n0.666609 0.333394 0.947388 S\n0.333287 0.666644 0.837026 S\n0.333332 0.666710 0.249999 S\n0.666660 0.333283 0.750001 S\n",
"nsites": 18,
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"volume": 337.13209951952257,
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{
"id": "jvasp-42309",
"created_at": "2022-09-04T14:37:27.700497Z",
"updated_at": "2022-09-04T14:37:27.700522Z",
"structure_string": "Co6 O8 F4\n1.0\n-4.553869 4.553869 2.917613\n-0.157765 4.398060 -2.920212\n-4.398060 0.157765 -2.920212\nCo O F\n6 8 4\ndirect\n0.846539 0.673605 0.673605 Co\n0.317867 0.657360 0.657360 Co\n0.651974 0.338655 0.338655 Co\n0.177268 0.338162 0.338162 Co\n0.497364 0.997217 0.997217 Co\n0.997687 0.989662 0.989662 Co\n0.002579 0.696569 0.302712 O\n0.002579 0.302712 0.696569 O\n0.668948 0.638860 0.034382 O\n0.333904 0.969354 0.361798 O\n0.366237 0.435537 0.435537 O\n0.668948 0.034382 0.638860 O\n0.333904 0.361798 0.969354 O\n0.038032 0.765169 0.765169 O\n0.964206 0.231995 0.231995 F\n0.632214 0.577609 0.577609 F\n0.308642 0.893654 0.893654 F\n0.691119 0.097703 0.097703 F\n",
"nsites": 18,
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"elements": [
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],
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"density": 5.474153652335472,
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"formula_full": "Co6 O8 F4",
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{
"id": "jvasp-50296",
"created_at": "2022-09-04T14:37:07.782669Z",
"updated_at": "2022-09-04T14:37:07.782701Z",
"structure_string": "Hg2 Bi4 O12\n1.0\n5.040575 -0.000000 0.000000\n0.000000 5.040575 0.000000\n0.000000 0.000000 10.610340\nHg Bi O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.332645 Bi\n0.000000 0.000000 0.667355 Bi\n0.500000 0.500000 0.167355 Bi\n0.500000 0.500000 0.832645 Bi\n0.812453 0.187548 0.500000 O\n0.687548 0.687548 0.000000 O\n0.697662 0.697662 0.674581 O\n0.697662 0.697662 0.325419 O\n0.302339 0.302339 0.674581 O\n0.187548 0.812453 0.500000 O\n0.312453 0.312453 0.000000 O\n0.802340 0.197661 0.174581 O\n0.197661 0.802340 0.174581 O\n0.197661 0.802340 0.825419 O\n0.302339 0.302339 0.325419 O\n0.802340 0.197661 0.825419 O\n",
"nsites": 18,
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"volume": 269.5811135826836,
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"formula_full": "Hg2 Bi4 O12",
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"formula_anonymous": "AB2C6",
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"spacegroup": 136
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{
"id": "jvasp-42302",
"created_at": "2022-09-04T14:38:11.795065Z",
"updated_at": "2022-09-04T14:38:11.795080Z",
"structure_string": "Mn6 O4 F8\n1.0\n-4.504529 4.504529 3.078931\n0.236722 4.773722 -3.126489\n-4.773722 -0.236722 -3.126489\nMn O F\n6 4 8\ndirect\n0.836838 0.668563 0.668563 Mn\n0.670829 0.350795 0.350795 Mn\n0.329170 0.649206 0.649206 Mn\n0.163162 0.331437 0.331437 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.371908 0.428141 0.428141 O\n0.040627 0.761687 0.761687 O\n0.628092 0.571860 0.571860 O\n0.959373 0.238314 0.238314 O\n-0.000000 0.302302 0.697698 F\n0.674009 0.028315 0.642570 F\n0.325991 0.357431 0.971685 F\n0.310109 0.879688 0.879688 F\n0.689891 0.120313 0.120313 F\n0.325991 0.971685 0.357431 F\n0.674009 0.642570 0.028315 F\n-0.000000 0.697698 0.302302 F\n",
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"volume": 211.11922003747748,
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"formula_full": "Mn6 O4 F8",
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{
"id": "jvasp-10334",
"created_at": "2022-09-04T14:37:28.213452Z",
"updated_at": "2022-09-04T14:37:28.213461Z",
"structure_string": "V2 Ge4 O12\n1.0\n5.412056 0.062987 1.282103\n1.501527 6.456400 0.755965\n0.175815 -0.001174 6.669353\nV Ge O\n2 4 12\ndirect\n0.750001 0.904265 0.095735 V\n0.250001 0.095736 0.904263 V\n0.756970 0.383877 0.206247 Ge\n0.743032 0.793753 0.616122 Ge\n0.243032 0.616125 0.793751 Ge\n0.256970 0.206248 0.383875 Ge\n0.623985 0.966439 0.826700 O\n0.876017 0.173299 0.033561 O\n0.748948 0.632734 0.078525 O\n0.751054 0.921474 0.367266 O\n0.251054 0.367268 0.921473 O\n0.564535 0.602429 0.665255 O\n-0.064533 0.334744 0.397571 O\n0.123985 0.826702 0.966437 O\n0.064534 0.665257 0.602427 O\n0.435467 0.397572 0.334743 O\n0.248947 0.078527 0.632733 O\n0.376017 0.033562 0.173298 O\n",
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{
"id": "jvasp-12652",
"created_at": "2022-09-04T14:37:28.008154Z",
"updated_at": "2022-09-04T14:37:28.008165Z",
"structure_string": "Mn2 P2 H4 O10\n1.0\n4.958484 -0.062332 -1.310580\n-0.825851 4.889623 -1.310580\n0.012123 0.014160 7.405058\nMn P H O\n2 2 4 10\ndirect\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.577711 0.422288 0.750000 P\n0.422288 0.577712 0.250000 P\n0.887234 0.933090 0.297714 H\n0.933089 0.887234 0.797714 H\n0.112765 0.066910 0.702286 H\n0.066910 0.112766 0.202286 H\n0.270159 0.658143 0.404774 O\n0.658143 0.270159 0.904775 O\n0.729840 0.341856 0.595225 O\n0.340633 0.262445 0.154418 O\n0.262444 0.340633 0.654418 O\n0.659366 0.737555 0.845582 O\n0.098817 0.901183 0.750000 O\n0.901182 0.098817 0.250000 O\n0.341856 0.729841 0.095225 O\n0.737555 0.659367 0.345582 O\n",
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"formula_full": "Mn2 P2 H4 O10",
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"spacegroup": 15
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{
"id": "jvasp-9625",
"created_at": "2022-09-04T14:37:12.336832Z",
"updated_at": "2022-09-04T14:37:12.336859Z",
"structure_string": "V4 Zn4 O10\n1.0\n0.000000 7.485122 -0.000248\n3.265964 0.000000 0.000000\n0.000000 0.000116 -10.297905\nV Zn O\n4 4 10\ndirect\n0.692956 0.000000 0.397342 V\n0.307035 0.000000 0.602675 V\n0.807042 0.000000 0.897330 V\n0.192952 0.000000 0.102653 V\n0.593561 0.499999 0.128953 Zn\n0.406414 0.499999 0.871058 Zn\n0.093574 0.499999 0.371050 Zn\n0.906410 0.499999 0.628940 Zn\n0.831872 0.499999 0.435812 O\n0.152609 0.000000 0.282910 O\n0.331869 0.499999 0.064180 O\n0.668130 0.499999 0.935828 O\n0.500050 0.000000 0.500062 O\n0.347385 0.000000 0.782916 O\n0.847380 0.000000 0.717083 O\n0.000047 0.000000 -0.000058 O\n0.652598 0.000000 0.217093 O\n0.168122 0.499999 0.564172 O\n",
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"formula_full": "V4 Zn4 O10",
"formula_reduced": "V2Zn2O5",
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"spacegroup": 55
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{
"id": "jvasp-43957",
"created_at": "2022-09-04T14:37:31.960287Z",
"updated_at": "2022-09-04T14:37:31.960313Z",
"structure_string": "Li4 Mn2 F12\n1.0\n6.158337 -0.000000 0.000000\n-0.000000 6.158337 0.000000\n0.000000 0.000000 6.046564\nLi Mn F\n4 2 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.749987 Mn\n0.500000 0.000000 0.250012 Mn\n0.500000 0.000000 0.544691 F\n0.500000 0.000000 0.955341 F\n0.500447 0.699779 0.250009 F\n0.699779 0.500447 0.749990 F\n0.300222 0.499553 0.749990 F\n0.000000 0.500000 0.455309 F\n0.000000 0.500000 0.044659 F\n0.800222 0.000447 0.250009 F\n0.000447 0.800222 0.749990 F\n0.199779 0.999553 0.250009 F\n0.499553 0.300222 0.250009 F\n0.999553 0.199779 0.749990 F\n",
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"formula_full": "Li4 Mn2 F12",
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{
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"created_at": "2022-09-04T14:37:28.035400Z",
"updated_at": "2022-09-04T14:37:28.035431Z",
"structure_string": "Zn2 H4 S2 O10\n1.0\n3.028988 3.870270 -1.596220\n-3.028988 3.870270 1.596220\n0.068843 0.000000 7.578463\nZn H S O\n2 4 2 10\ndirect\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.423663 0.154180 0.794690 H\n0.154179 0.423664 0.705309 H\n0.576336 0.845821 0.205309 H\n0.845820 0.576337 0.294691 H\n0.841608 0.841608 0.750000 S\n0.158392 0.158392 0.250000 S\n0.381212 0.161878 0.161394 O\n0.161878 0.381212 0.338606 O\n0.618787 0.838123 0.838606 O\n0.838122 0.618788 0.661394 O\n0.117931 0.781151 0.905101 O\n0.882069 0.218850 0.094899 O\n0.781150 0.117932 0.594899 O\n0.363335 0.363335 0.750000 O\n0.218849 0.882069 0.405101 O\n0.636665 0.636665 0.250000 O\n",
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"spacegroup": 15
}
]
}