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"results": [
{
"id": "jvasp-62946",
"created_at": "2022-09-04T14:36:09.666187Z",
"updated_at": "2022-09-04T14:36:09.666214Z",
"structure_string": "U4 Fe4 B16\n1.0\n3.407432 0.000000 0.000000\n0.000000 5.875054 0.000000\n0.000000 0.000000 11.384954\nU Fe B\n4 4 16\ndirect\n0.000000 0.126246 0.849728 U\n0.000000 0.873753 0.150271 U\n0.000000 0.373753 0.349729 U\n0.000000 0.626246 0.650271 U\n0.000000 0.134364 0.589632 Fe\n0.000000 0.865635 0.410368 Fe\n0.000000 0.365636 0.089632 Fe\n0.000000 0.634364 0.910367 Fe\n0.500000 0.525905 0.191116 B\n0.500000 0.474094 0.808884 B\n0.500000 0.887140 0.545698 B\n0.500000 0.112860 0.454301 B\n0.500000 0.612859 0.045699 B\n0.500000 0.387140 0.954301 B\n0.500000 0.863746 0.966355 B\n0.500000 0.782564 0.813484 B\n0.500000 0.636253 0.466355 B\n0.500000 0.363747 0.533644 B\n0.500000 0.025905 0.308884 B\n0.500000 0.217436 0.186516 B\n0.500000 0.717435 0.313484 B\n0.500000 0.282564 0.686515 B\n0.500000 0.136253 0.033645 B\n0.500000 0.974094 0.691115 B\n",
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{
"id": "jvasp-43318",
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"updated_at": "2022-09-04T14:37:28.979447Z",
"structure_string": "Li4 Mn2 Cr6 O16\n1.0\n2.885502 -4.997836 0.000000\n2.885502 4.997836 -0.000000\n0.000000 -0.000000 9.220791\nLi Mn Cr O\n4 2 6 16\ndirect\n0.333332 0.666667 0.107004 Li\n0.000000 0.000000 0.004054 Li\n0.000000 0.000000 0.504054 Li\n0.666667 0.333332 0.607004 Li\n0.333332 0.666667 0.513403 Mn\n0.666667 0.333332 0.013403 Mn\n0.829039 0.658080 0.287345 Cr\n0.829040 0.170959 0.287345 Cr\n0.341919 0.170960 0.287345 Cr\n0.170959 0.829040 0.787345 Cr\n0.170960 0.341919 0.787345 Cr\n0.658080 0.829039 0.787345 Cr\n0.338422 0.169210 0.900414 O\n0.830790 0.169209 0.900414 O\n0.666667 0.333332 0.399713 O\n0.521386 0.478613 0.154871 O\n0.521387 0.042772 0.154871 O\n0.661577 0.830789 0.400414 O\n0.478612 0.957227 0.654871 O\n0.042772 0.521387 0.654871 O\n0.169209 0.830790 0.400414 O\n0.000000 0.000000 0.193989 O\n0.000000 0.000000 0.693989 O\n0.333332 0.666667 0.899713 O\n0.957227 0.478612 0.154871 O\n0.169210 0.338422 0.400414 O\n0.478613 0.521386 0.654871 O\n0.830789 0.661577 0.900414 O\n",
"nsites": 28,
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"volume": 265.9509553089656,
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"formula_full": "Li4 Mn2 Cr6 O16",
"formula_reduced": "Li2MnCr3O8",
"formula_anonymous": "AB2C3D8",
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},
{
"id": "jvasp-20375",
"created_at": "2022-09-04T14:37:39.325692Z",
"updated_at": "2022-09-04T14:37:39.325710Z",
"structure_string": "Ni12 B4\n1.0\n4.411370 0.000000 0.000000\n-0.000000 5.184946 0.000000\n0.000000 0.000000 6.644315\nNi B\n12 4\ndirect\n0.657488 0.820218 0.937250 Ni\n0.157488 0.679783 0.062750 Ni\n0.842512 0.320218 0.562751 Ni\n0.342512 0.179783 0.437250 Ni\n0.866860 0.027267 0.250000 Ni\n0.366860 0.472733 0.750001 Ni\n0.633140 0.527268 0.250000 Ni\n0.133140 0.972733 0.750001 Ni\n0.657488 0.820218 0.562751 Ni\n0.157488 0.679783 0.437250 Ni\n0.842512 0.320218 0.937250 Ni\n0.342512 0.179783 0.062750 Ni\n0.559221 0.118028 0.750001 B\n0.059221 0.381973 0.250000 B\n0.940779 0.618028 0.750001 B\n0.440779 0.881973 0.250000 B\n",
"nsites": 16,
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"volume": 151.97352493341623,
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"formula_full": "Ni12 B4",
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{
"id": "jvasp-58570",
"created_at": "2022-09-04T14:38:12.875196Z",
"updated_at": "2022-09-04T14:38:12.875216Z",
"structure_string": "Zn2 Cu4 O8\n1.0\n2.925529 0.000000 -0.000000\n-1.462764 4.826364 -0.000000\n0.000000 -0.000000 9.418841\nZn Cu O\n2 4 8\ndirect\n0.391272 0.782542 0.750000 Zn\n0.608729 0.217457 0.250000 Zn\n0.868232 0.736463 0.069798 Cu\n0.131769 0.263536 0.930202 Cu\n0.868232 0.736463 0.430202 Cu\n0.131769 0.263536 0.569798 Cu\n0.221619 0.443237 0.387140 O\n0.778382 0.556762 0.612860 O\n0.778382 0.556762 0.887140 O\n0.221619 0.443237 0.112860 O\n0.958532 0.917061 0.250000 O\n0.041470 0.082938 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
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"volume": 132.99090641952336,
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"formula_full": "Zn2 Cu4 O8",
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"spacegroup": 63
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{
"id": "jvasp-90196",
"created_at": "2022-09-04T14:36:00.321740Z",
"updated_at": "2022-09-04T14:36:00.321763Z",
"structure_string": "Nd1 Cr2 B6\n1.0\n-0.000000 -0.000000 -3.113867\n-3.297424 4.163505 -1.556934\n3.297424 4.163505 -1.556934\nNd Cr B\n1 2 6\ndirect\n-0.000001 0.499999 0.499999 Nd\n0.845408 0.154592 0.154592 Cr\n0.154591 0.845407 0.845407 Cr\n0.500000 0.137748 0.862251 B\n0.500000 0.862251 0.137748 B\n0.697638 0.037516 0.567206 B\n0.302360 0.432793 0.962483 B\n0.697638 0.567206 0.037516 B\n0.302360 0.962483 0.432793 B\n",
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"density": 6.080908978025452,
"density_atomic": 0.10526368505789817,
"volume": 85.4995718138666,
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"formula_full": "Nd1 Cr2 B6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 71
},
{
"id": "jvasp-102837",
"created_at": "2022-09-04T14:36:47.265792Z",
"updated_at": "2022-09-04T14:36:47.265815Z",
"structure_string": "Mn1 H2 O2\n1.0\n3.570629 -0.000000 0.000000\n-1.785314 3.092256 0.000000\n-0.000000 -0.000000 4.302061\nMn H O\n1 2 2\ndirect\n0.333334 0.666667 0.967822 Mn\n0.000000 0.000000 0.021256 H\n0.666667 0.333334 0.435149 H\n0.000000 0.000000 0.790264 O\n0.666667 0.333334 0.207983 O\n",
"nsites": 5,
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],
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"spacegroup": 156
},
{
"id": "jvasp-48193",
"created_at": "2022-09-04T14:37:56.696911Z",
"updated_at": "2022-09-04T14:37:56.696922Z",
"structure_string": "Li4 Ti3 Co3 Ni2 O16\n1.0\n5.696647 -0.015190 0.056707\n2.788546 4.967183 0.059999\n0.129287 0.065771 9.388334\nLi Ti Co Ni O\n4 3 3 2 16\ndirect\n0.324579 0.324669 0.892056 Li\n0.022906 0.022672 0.994469 Li\n0.016709 0.016181 0.496181 Li\n0.656086 0.656313 0.401854 Li\n0.660322 0.162469 0.212488 Ti\n0.161970 0.660351 0.212467 Ti\n0.832526 0.832619 0.709980 Ti\n0.828471 0.341361 0.713361 Co\n0.341518 0.828288 0.713365 Co\n0.174748 0.174680 0.212958 Co\n0.332012 0.331958 0.489640 Ni\n0.664404 0.664441 0.981674 Ni\n0.838102 0.838209 0.099550 O\n0.836721 0.336390 0.103026 O\n0.664584 0.664323 0.604333 O\n0.511786 0.953363 0.842546 O\n0.953336 0.511829 0.842536 O\n0.166935 0.166712 0.608289 O\n0.030685 0.471836 0.342285 O\n0.473861 0.474102 0.343705 O\n0.166005 0.675835 0.599582 O\n0.003179 0.003122 0.811460 O\n0.002832 0.002947 0.311110 O\n0.338682 0.338604 0.096492 O\n0.513145 0.513088 0.827508 O\n0.676138 0.165782 0.599541 O\n0.471675 0.030942 0.342325 O\n0.336409 0.836607 0.103062 O\n",
"nsites": 28,
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"elements": [
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"formula_full": "Li4 Ti3 Co3 Ni2 O16",
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{
"id": "jvasp-46643",
"created_at": "2022-09-04T14:37:29.703913Z",
"updated_at": "2022-09-04T14:37:29.703938Z",
"structure_string": "Li4 Mn3 V3 Cr2 O16\n1.0\n5.705991 0.019026 -0.044594\n2.836196 4.972569 -0.036857\n0.073896 0.014813 9.392569\nLi Mn V Cr O\n4 3 3 2 16\ndirect\n0.664835 0.670313 0.892613 Li\n0.000409 0.999437 0.993517 Li\n0.997484 0.004924 0.497096 Li\n0.330913 0.338179 0.395187 Li\n0.833755 0.332587 0.212831 Mn\n0.655934 0.177053 0.713261 Mn\n0.166949 0.177043 0.713264 Mn\n0.349572 0.829332 0.214174 V\n0.176367 0.647190 0.712425 V\n0.821192 0.829345 0.214149 V\n0.665662 0.668641 0.490273 Cr\n0.331083 0.337915 0.987960 Cr\n0.169066 0.661992 0.102300 O\n0.663699 0.161285 0.098161 O\n0.338011 0.323916 0.597179 O\n0.038015 0.479889 0.844754 O\n0.482057 0.479917 0.844731 O\n0.830426 0.339098 0.601079 O\n0.519811 0.523324 0.341477 O\n0.515756 0.968593 0.347225 O\n0.335043 0.830749 0.601309 O\n0.997778 0.004342 0.806896 O\n0.000104 -0.000114 0.309812 O\n0.672694 0.654724 0.098016 O\n0.477487 0.044947 0.837154 O\n0.834137 0.830743 0.601324 O\n0.956890 0.523366 0.341484 O\n0.175189 0.161272 0.098193 O\n",
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"formula_full": "Li4 Mn3 V3 Cr2 O16",
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},
{
"id": "jvasp-42414",
"created_at": "2022-09-04T14:37:29.596608Z",
"updated_at": "2022-09-04T14:37:29.596628Z",
"structure_string": "Li2 Fe3 Cu1 O8\n1.0\n5.623485 -0.047739 0.056027\n-0.099590 5.789564 0.020273\n-2.720854 -2.798727 4.048390\nLi Fe Cu O\n2 3 1 8\ndirect\n-0.000000 0.499999 -0.000000 Li\n0.500001 0.499999 0.500000 Li\n0.000000 -0.000000 0.500000 Fe\n0.500001 0.000000 0.000000 Fe\n0.500001 -0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Cu\n0.241740 0.212081 0.970344 O\n0.720856 0.210677 0.959449 O\n0.251220 0.210614 0.489734 O\n0.739738 0.215415 0.475691 O\n0.260263 0.784583 0.524309 O\n0.748781 0.789385 0.510266 O\n0.279145 0.789322 0.040551 O\n0.758261 0.787918 0.029656 O\n",
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"formula_full": "Li2 Fe3 Cu1 O8",
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{
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"created_at": "2022-09-04T14:38:28.904368Z",
"updated_at": "2022-09-04T14:38:28.904392Z",
"structure_string": "Pu2 Be26\n1.0\n6.251883 -0.000000 3.609526\n2.083961 5.894331 3.609526\n-0.000000 -0.000000 7.219052\nPu Be\n2 26\ndirect\n0.750000 0.750000 0.750001 Pu\n0.250000 0.250000 0.250000 Pu\n0.938438 0.290276 0.709725 Be\n0.709724 0.061561 0.938439 Be\n0.061561 0.709724 0.290277 Be\n0.209724 0.438438 0.561562 Be\n0.438438 0.561561 0.209725 Be\n0.561561 0.209724 0.438439 Be\n0.209724 0.561561 0.790276 Be\n0.209724 0.790276 0.438439 Be\n0.790276 0.561561 0.438439 Be\n0.290276 0.709724 0.938439 Be\n0.290276 0.061561 0.709724 Be\n0.061561 0.938438 0.709724 Be\n0.000000 0.000000 0.000000 Be\n0.709724 0.290276 0.061562 Be\n0.938438 0.061561 0.290277 Be\n0.061561 0.290276 0.938439 Be\n0.790276 0.438438 0.209725 Be\n0.438438 0.790276 0.561562 Be\n0.438438 0.209724 0.790276 Be\n0.561561 0.790276 0.209725 Be\n0.790276 0.209724 0.561562 Be\n0.561561 0.438438 0.790277 Be\n0.290276 0.938438 0.061562 Be\n0.500000 0.500000 0.500001 Be\n0.938438 0.709724 0.061563 Be\n0.709724 0.938438 0.290277 Be\n",
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"volume": 266.0268869044201,
"volume_molar": 5.721611996010781,
"formula_full": "Pu2 Be26",
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{
"id": "jvasp-107361",
"created_at": "2022-09-04T14:37:01.188795Z",
"updated_at": "2022-09-04T14:37:01.188816Z",
"structure_string": "Be4 Cu1 Si1\n1.0\n3.741254 -0.000000 2.160014\n1.247085 3.527288 2.160014\n0.000000 -0.000000 4.320028\nBe Cu Si\n4 1 1\ndirect\n0.624904 0.624906 0.125284 Be\n0.624905 0.125284 0.624906 Be\n0.125283 0.624906 0.624905 Be\n0.624904 0.624906 0.624905 Be\n0.249999 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Si\n",
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],
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},
{
"id": "jvasp-43106",
"created_at": "2022-09-04T14:36:03.516725Z",
"updated_at": "2022-09-04T14:36:03.516752Z",
"structure_string": "Li1 Fe1 O1 F1\n1.0\n0.000000 2.870668 -0.000082\n2.870659 0.000000 0.000000\n0.000000 -0.000180 -4.612270\nLi Fe O F\n1 1 1 1\ndirect\n0.015292 0.500000 0.746684 Li\n0.515100 0.000000 0.246193 Fe\n0.015116 0.500000 0.245803 O\n0.515271 0.000000 0.746030 F\n",
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}
]
}