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{
"id": "jvasp-112158",
"created_at": "2022-09-04T14:38:45.713022Z",
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"structure_string": "Hf1 H8 C6 O4\n1.0\n3.802183 -0.113754 0.331442\n-1.204652 4.294279 -1.381796\n-0.047605 0.043140 9.679960\nHf H C O\n1 8 6 4\ndirect\n0.034418 0.864668 0.690704 Hf\n0.785779 0.882797 0.083291 H\n0.312735 0.796484 0.117582 H\n0.804614 0.409195 0.146421 H\n0.321416 0.264646 0.143612 H\n0.061603 -0.001280 0.327313 H\n0.674484 0.134087 0.352754 H\n0.256216 0.643490 0.364031 H\n0.601108 0.500664 0.396796 H\n0.533017 0.686902 0.077730 C\n0.553280 0.481328 0.172647 C\n0.539396 0.641976 0.334884 C\n0.886693 0.105077 0.545193 C\n0.796374 0.977267 0.383882 C\n0.440736 0.521673 0.920126 C\n0.206674 0.246490 0.886218 O\n0.978238 0.430581 0.584893 O\n0.586506 0.982237 0.636927 O\n0.578082 0.672270 0.828120 O\n",
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{
"id": "jvasp-105538",
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"structure_string": "Ce2 Al3 Ga1 Pd4\n1.0\n4.360452 -0.000000 0.000000\n0.000000 4.360452 0.000000\n0.000000 0.000000 10.137842\nCe Al Ga Pd\n2 3 1 4\ndirect\n0.500000 0.000000 0.251361 Ce\n-0.000000 0.500000 0.748639 Ce\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.876951 Al\n-0.000000 0.500000 0.123049 Al\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 -0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.633112 Pd\n-0.000000 0.500000 0.366887 Pd\n",
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"formula_full": "Ce2 Al3 Ga1 Pd4",
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{
"id": "jvasp-112172",
"created_at": "2022-09-04T14:38:45.702499Z",
"updated_at": "2022-09-04T14:38:45.702524Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.011138 0.110778 0.360957\n1.301356 4.211132 1.200960\n0.069904 0.057487 8.500145\nCd H C O\n1 6 5 4\ndirect\n0.411619 0.274136 0.761799 Cd\n0.787485 0.009418 0.278486 H\n0.203478 0.787918 0.368857 H\n0.667891 0.496609 0.299247 H\n0.394023 0.457846 0.136702 H\n0.078890 0.280475 0.390725 H\n0.111223 0.263292 0.106087 H\n0.769064 0.778597 0.531833 C\n0.933126 0.784211 0.362093 C\n0.938390 0.498770 0.301001 C\n0.113776 0.483960 0.134494 C\n0.964885 0.754314 0.985404 C\n0.851161 0.508461 0.643238 O\n0.555008 0.038080 0.553270 O\n0.672762 0.971255 -0.001541 O\n0.139725 0.755202 0.851341 O\n",
"nsites": 16,
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{
"id": "jvasp-111134",
"created_at": "2022-09-04T14:38:37.088547Z",
"updated_at": "2022-09-04T14:38:37.088561Z",
"structure_string": "Co1 H4 Br2 O2\n1.0\n3.729164 0.098574 -0.406935\n-0.720264 5.634212 -0.646686\n0.125496 -0.101553 5.714478\nCo H Br O\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.846281 0.214595 0.615691 H\n0.153720 0.384310 0.785403 H\n0.846280 0.615689 0.214597 H\n0.153722 0.785404 0.384309 H\n0.438961 0.755280 0.755279 Br\n0.561039 0.244719 0.244721 Br\n0.999999 0.767677 0.232322 O\n1.000000 0.232322 0.767678 O\n",
"nsites": 9,
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"formula_full": "Co1 H4 Br2 O2",
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"formula_anonymous": "AB2C2D4",
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"spacegroup": 12
},
{
"id": "jvasp-117133",
"created_at": "2022-09-04T14:38:46.328056Z",
"updated_at": "2022-09-04T14:38:46.328074Z",
"structure_string": "Li2 Mn3 Fe1 O8\n1.0\n4.975504 0.035632 2.907328\n1.685363 4.681502 2.907328\n0.050315 0.035632 5.762435\nLi Mn Fe O\n2 3 1 8\ndirect\n0.878782 0.878783 0.878787 Li\n0.503539 0.503539 0.503541 Li\n0.993390 0.501007 0.501010 Mn\n0.501007 0.993390 0.501010 Mn\n0.501007 0.501007 0.993394 Mn\n0.119168 0.119168 0.119168 Fe\n0.738561 0.738562 0.738565 O\n0.748864 0.748864 0.285272 O\n0.748864 0.285270 0.748867 O\n0.285270 0.748864 0.748867 O\n0.728440 0.249018 0.249020 O\n0.249018 0.728440 0.249020 O\n0.249018 0.249018 0.728442 O\n0.255059 0.255059 0.255060 O\n",
"nsites": 14,
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{
"id": "jvasp-117001",
"created_at": "2022-09-04T14:38:47.035959Z",
"updated_at": "2022-09-04T14:38:47.035983Z",
"structure_string": "Tb2 In2 Ge4 O14\n1.0\n5.642382 0.028986 0.676397\n-1.541286 5.427867 0.676397\n-0.026013 -0.034612 9.843209\nTb In Ge O\n2 2 4 14\ndirect\n0.709269 0.290720 0.249993 Tb\n0.709281 0.290732 0.750008 Tb\n0.315490 0.684498 0.250008 In\n0.315503 0.684511 0.749992 In\n0.772441 0.772093 0.957769 Ge\n0.227908 0.227559 0.042231 Ge\n0.227904 0.227577 0.542233 Ge\n0.772423 0.772097 0.457768 Ge\n0.387472 0.057499 0.140958 O\n0.942502 0.612529 0.859043 O\n0.940445 0.059556 0.500000 O\n0.940442 0.059559 0.000000 O\n0.942471 0.612573 0.359000 O\n0.387428 0.057530 0.641000 O\n0.406590 0.384641 0.384551 O\n0.581448 0.898839 0.856837 O\n0.615360 0.593411 0.615449 O\n0.101160 0.418633 0.643121 O\n0.406581 0.384648 0.884553 O\n0.615352 0.593420 0.115448 O\n0.101162 0.418552 0.143164 O\n0.581367 0.898841 0.356880 O\n",
"nsites": 22,
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"formula_full": "Tb2 In2 Ge4 O14",
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{
"id": "jvasp-120587",
"created_at": "2022-09-04T14:38:46.903561Z",
"updated_at": "2022-09-04T14:38:46.903586Z",
"structure_string": "Li3 Fe5 Co2 O12\n1.0\n4.932034 0.014927 0.447827\n-2.605264 4.187813 0.447827\n-0.012315 -0.022245 9.514218\nLi Fe Co O\n3 5 2 12\ndirect\n0.673024 0.841862 0.744135 Li\n0.158139 0.326977 0.255866 Li\n0.076750 0.923250 0.500000 Li\n0.923478 0.076522 0.000000 Fe\n-0.005582 0.518292 0.736367 Fe\n0.481708 0.005583 0.263633 Fe\n0.582504 0.417496 0.000000 Fe\n0.423013 0.576988 0.500000 Fe\n0.746754 0.253246 0.500000 Co\n0.249440 0.750560 0.000000 Co\n0.035611 0.229886 0.614744 O\n0.394430 0.860254 0.613098 O\n0.222403 0.046717 0.113192 O\n0.537423 0.714630 0.107919 O\n0.770114 0.964389 0.385256 O\n0.874850 0.362313 0.107207 O\n0.953283 0.777598 0.886809 O\n0.705571 0.536125 0.614880 O\n0.637687 0.125151 0.892794 O\n0.285370 0.462578 0.892082 O\n0.463876 0.294429 0.385121 O\n0.139746 0.605570 0.386902 O\n",
"nsites": 22,
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"elements": [
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],
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"formula_full": "Li3 Fe5 Co2 O12",
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{
"id": "jvasp-116572",
"created_at": "2022-09-04T14:38:42.209791Z",
"updated_at": "2022-09-04T14:38:42.209822Z",
"structure_string": "As4 H12 C2 O12\n1.0\n7.273685 -0.225141 0.000000\n-3.552788 6.350975 0.000000\n-0.000000 -0.000000 7.032647\nAs H C O\n4 12 2 12\ndirect\n0.758706 0.505008 0.035696 As\n0.505007 0.758706 0.964305 As\n0.258706 0.005008 0.464305 As\n0.005008 0.258706 0.535696 As\n0.908460 0.886770 0.626978 H\n0.408460 0.386771 0.873023 H\n0.386770 0.408461 0.126977 H\n0.245460 0.582209 0.411983 H\n0.582209 0.245461 0.588018 H\n0.886770 0.908460 0.373023 H\n0.082208 0.745460 0.911983 H\n0.957684 0.324467 0.848911 H\n0.324467 0.957684 0.151090 H\n0.457684 0.824467 0.651090 H\n0.824467 0.457685 0.348910 H\n0.745460 0.082209 0.088018 H\n0.483915 0.483915 -0.000000 C\n0.983914 0.983915 0.500000 C\n0.283608 0.764068 0.026091 O\n0.764068 0.283609 0.973910 O\n0.219446 0.432826 0.388538 O\n0.432826 0.219446 0.611462 O\n0.719445 0.932826 0.111462 O\n0.584886 0.841401 0.729992 O\n0.084886 0.341402 0.770009 O\n0.341402 0.084887 0.229991 O\n0.841401 0.584886 0.270009 O\n0.264068 0.783608 0.526091 O\n0.932825 0.719446 0.888538 O\n0.783608 0.264069 0.473910 O\n",
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"formula_full": "As4 H12 C2 O12",
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{
"id": "jvasp-112195",
"created_at": "2022-09-04T14:38:45.478782Z",
"updated_at": "2022-09-04T14:38:45.478794Z",
"structure_string": "Cd1 H12 C8 O4\n1.0\n4.141402 0.072298 0.071405\n1.244016 4.368674 0.652907\n-0.214693 -0.066444 11.704138\nCd H C O\n1 12 8 4\ndirect\n0.947062 0.784493 0.192305 Cd\n0.682183 0.280819 0.580867 H\n0.842958 0.700625 0.896711 H\n0.455712 0.728919 0.959616 H\n0.531462 0.844224 0.696644 H\n0.153505 0.868311 0.768189 H\n0.090282 0.427345 0.660979 H\n0.577292 0.651690 0.499755 H\n0.755766 0.283732 0.786120 H\n0.369879 0.313434 0.852832 H\n0.255126 0.137536 0.474475 H\n0.064709 0.528211 0.415265 H\n0.014492 0.794184 0.580078 H\n0.834466 0.320451 0.022955 C\n0.669692 0.566470 0.923688 C\n0.542696 0.446389 0.822039 C\n0.360746 0.708941 0.728248 C\n0.470610 0.470357 0.538779 C\n0.305786 0.354831 0.442501 C\n0.530723 0.312709 0.340123 C\n0.214094 0.600921 0.626740 C\n0.761648 0.067320 0.027235 O\n0.755164 0.057354 0.340181 O\n0.491868 0.548254 0.261233 O\n0.032793 0.360921 0.098848 O\n",
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{
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"created_at": "2022-09-04T14:38:46.946451Z",
"updated_at": "2022-09-04T14:38:46.946482Z",
"structure_string": "Ce1 Cu1 Si2 Ni1\n1.0\n3.784155 -0.009091 -4.156086\n-0.573553 3.740447 -4.156086\n0.007822 0.009091 5.620749\nCe Cu Si Ni\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750000 0.500000 Cu\n0.624302 0.624303 -0.000001 Si\n0.375697 0.375698 -0.000000 Si\n0.749999 0.250000 0.499999 Ni\n",
"nsites": 5,
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],
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"volume": 79.81573812571183,
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"formula_full": "Ce1 Cu1 Si2 Ni1",
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"spacegroup": 119
},
{
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"created_at": "2022-09-04T14:38:48.499205Z",
"updated_at": "2022-09-04T14:38:48.499228Z",
"structure_string": "Rb2 Li1 Ga1 F6\n1.0\n5.015136 -0.000000 2.895490\n1.671712 4.728315 2.895490\n-0.000000 -0.000000 5.790980\nRb Li Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750001 0.750000 Rb\n0.500000 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Ga\n0.236885 0.236885 0.763115 F\n0.236884 0.763116 0.763115 F\n0.763116 0.763116 0.236884 F\n0.236884 0.763116 0.236884 F\n0.763116 0.236885 0.763115 F\n0.763116 0.236885 0.236884 F\n",
"nsites": 10,
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],
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{
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"created_at": "2022-09-04T14:38:42.351178Z",
"updated_at": "2022-09-04T14:38:42.351208Z",
"structure_string": "Mg2 Cr3 Co1 S8\n1.0\n6.173723 -0.001164 3.551589\n2.053188 5.822326 3.551503\n-0.002052 -0.001446 7.122408\nMg Cr Co S\n2 3 1 8\ndirect\n0.874846 0.874849 0.874842 Mg\n0.125162 0.125154 0.125164 Mg\n0.499995 0.500005 0.999998 Cr\n0.999997 0.499996 0.500007 Cr\n0.500008 0.999999 0.499997 Cr\n0.500000 0.500000 0.499994 Co\n0.737287 0.737289 0.737287 S\n0.269652 0.269648 0.707331 S\n0.269649 0.707326 0.269655 S\n0.707329 0.269658 0.269640 S\n0.730336 0.292675 0.730347 S\n0.292674 0.730348 0.730342 S\n0.262717 0.262708 0.262721 S\n0.730353 0.730343 0.292674 S\n",
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}
]
}