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{
"id": "jvasp-37942",
"created_at": "2022-09-04T14:38:09.887129Z",
"updated_at": "2022-09-04T14:38:09.887151Z",
"structure_string": "Ba2 Pd2 O5\n1.0\n4.067015 -0.000000 0.000000\n0.000000 4.067015 -0.000000\n0.000000 0.000000 8.391484\nBa Pd O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500001 0.500001 0.251346 Pd\n0.500001 0.500001 0.748654 Pd\n0.500001 0.000000 0.219863 O\n0.500001 0.000000 0.780136 O\n0.500001 0.500001 0.500000 O\n0.000000 0.500001 0.219863 O\n0.000000 0.500001 0.780136 O\n",
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{
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"updated_at": "2022-09-04T14:38:09.885972Z",
"structure_string": "Ba4 H8 O16\n1.0\n0.000000 4.167832 -0.023458\n9.465524 0.000000 0.000000\n0.000000 -1.233726 -8.265963\nBa H O\n4 8 16\ndirect\n0.355513 0.304155 0.376849 Ba\n0.644486 0.804155 0.123151 Ba\n0.644486 0.695845 0.623151 Ba\n0.355513 0.195845 0.876848 Ba\n0.232179 0.563144 0.872696 H\n0.767819 0.063145 0.627304 H\n0.232179 0.936855 0.372696 H\n0.767820 0.436855 0.127304 H\n0.938370 0.387531 0.657977 H\n0.938371 0.112469 0.157978 H\n0.061628 0.612469 0.342022 H\n0.061628 0.887531 0.842022 H\n0.064597 0.809903 0.430336 O\n0.639477 0.510162 0.188657 O\n0.360523 0.010162 0.311343 O\n0.064597 0.690096 0.930336 O\n0.935401 0.190096 0.569664 O\n0.935402 0.309904 0.069664 O\n0.214545 0.797227 0.831394 O\n0.169868 0.004206 0.145381 O\n0.785454 0.202772 0.168606 O\n0.214546 0.702772 0.331394 O\n0.830131 -0.004206 0.854619 O\n0.169867 0.495793 0.645381 O\n0.639476 0.989837 0.688657 O\n0.830132 0.504206 0.354619 O\n0.785453 0.297228 0.668606 O\n0.360522 0.489838 0.811343 O\n",
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"formula_full": "Ba4 H8 O16",
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"spacegroup": 14
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{
"id": "jvasp-77460",
"created_at": "2022-09-04T14:38:09.883285Z",
"updated_at": "2022-09-04T14:38:09.883312Z",
"structure_string": "Hf2 Tc1 Pd1\n1.0\n-10.829493 2.334846 -2.439622\n-7.990710 0.384915 0.657419\n-6.650596 4.175332 -1.663727\nHf Tc Pd\n2 1 1\ndirect\n0.749519 0.000342 0.000343 Hf\n0.250479 -0.000342 -0.000341 Hf\n0.000000 0.000000 0.000000 Tc\n0.499999 0.000000 0.000001 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.05668716360858817,
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"formula_full": "Hf2 Tc1 Pd1",
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},
{
"id": "jvasp-109596",
"created_at": "2022-09-04T14:38:09.879309Z",
"updated_at": "2022-09-04T14:38:09.879338Z",
"structure_string": "Sr6 Ho2\n1.0\n7.968661 -0.000000 0.000000\n-3.984330 6.901063 0.000000\n-0.000000 -0.000000 6.458468\nSr Ho\n6 2\ndirect\n0.171578 0.343156 0.250000 Sr\n0.656843 0.828422 0.250000 Sr\n0.171578 0.828422 0.250000 Sr\n0.828422 0.656843 0.750000 Sr\n0.343157 0.171578 0.750000 Sr\n0.828422 0.171578 0.750000 Sr\n0.333333 0.666666 0.750000 Ho\n0.666666 0.333333 0.250000 Ho\n",
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"formula_full": "Sr6 Ho2",
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"spacegroup": 194
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{
"id": "jvasp-51674",
"created_at": "2022-09-04T14:38:09.871990Z",
"updated_at": "2022-09-04T14:38:09.872023Z",
"structure_string": "V8 H4\n1.0\n-2.943568 2.943568 3.334891\n2.943568 -2.943568 3.334891\n2.943568 2.943568 -3.334891\nV H\n8 4\ndirect\n0.730199 0.730938 0.500739 V\n0.730938 0.730199 0.000738 V\n0.229462 0.730200 0.499262 V\n0.730200 0.229462 0.999262 V\n0.269801 0.269062 0.499262 V\n0.269063 0.269801 0.999262 V\n0.770538 0.269801 0.500739 V\n0.269800 0.770538 0.000738 V\n-0.000000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
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"formula_full": "V8 H4",
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"spacegroup": 141
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{
"id": "jvasp-18383",
"created_at": "2022-09-04T14:38:09.869093Z",
"updated_at": "2022-09-04T14:38:09.869112Z",
"structure_string": "Ac1 H2\n1.0\n3.617723 0.000000 2.088693\n1.205908 3.410822 2.088693\n-0.000000 -0.000000 4.177386\nAc H\n1 2\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n",
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{
"id": "jvasp-18305",
"created_at": "2022-09-04T14:38:09.868693Z",
"updated_at": "2022-09-04T14:38:09.868708Z",
"structure_string": "Pb4 Au2\n1.0\n5.062348 -0.000000 2.759636\n2.531174 5.270778 1.379819\n0.008409 -0.000000 6.007643\nPb Au\n4 2\ndirect\n0.159466 0.500000 0.181067 Pb\n0.340532 0.818934 0.500000 Pb\n0.659467 0.181066 0.500000 Pb\n0.840533 0.500000 0.818934 Pb\n0.250000 0.000000 0.000000 Au\n0.750000 0.000000 0.000000 Au\n",
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"formula_full": "Pb4 Au2",
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"spacegroup": 140
},
{
"id": "jvasp-37023",
"created_at": "2022-09-04T14:38:09.865627Z",
"updated_at": "2022-09-04T14:38:09.865655Z",
"structure_string": "Ti2 Ni2\n1.0\n0.000000 2.935173 0.362775\n3.984041 0.000000 0.000000\n0.000000 -0.604896 -4.775653\nTi Ni\n2 2\ndirect\n0.625750 0.250000 0.284978 Ti\n0.374248 0.750000 0.715022 Ti\n0.074648 0.750000 0.172807 Ni\n-0.074649 0.250000 0.827192 Ni\n",
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"volume": 54.971505275721356,
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"spacegroup": 11
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{
"id": "jvasp-18076",
"created_at": "2022-09-04T14:38:09.864935Z",
"updated_at": "2022-09-04T14:38:09.864968Z",
"structure_string": "Ga3 Pt2\n1.0\n2.136726 -3.700917 0.000000\n2.136726 3.700917 -0.000000\n0.000000 0.000000 5.382595\nGa Pt\n3 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.333334 0.666668 0.355625 Ga\n0.666668 0.333334 0.644376 Ga\n0.333334 0.666668 0.828197 Pt\n0.666668 0.333334 0.171804 Pt\n",
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"spacegroup": 164
},
{
"id": "jvasp-45939",
"created_at": "2022-09-04T14:38:09.864744Z",
"updated_at": "2022-09-04T14:38:09.864771Z",
"structure_string": "Li2 Mn1 Fe3 O8\n1.0\n-0.038155 2.936636 -4.747662\n-1.577789 2.477067 4.747662\n3.506546 3.994697 2.445989\nLi Mn Fe O\n2 1 3 8\ndirect\n0.500001 0.500001 0.500000 Li\n-0.000000 -0.000000 0.500001 Li\n1.000000 0.000002 -0.000001 Mn\n0.000000 0.500000 -0.000000 Fe\n0.500001 0.500002 -0.000000 Fe\n0.500001 0.000000 1.000000 Fe\n0.761905 0.527642 0.209628 O\n0.264239 0.521792 0.213970 O\n0.262731 0.028468 0.209629 O\n0.763776 0.020517 0.215708 O\n0.236225 0.979485 0.784292 O\n0.737270 0.971532 0.790371 O\n0.735763 0.478210 0.786031 O\n0.238097 0.472361 0.790372 O\n",
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{
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"created_at": "2022-09-04T14:38:09.862038Z",
"updated_at": "2022-09-04T14:38:09.862047Z",
"structure_string": "Li4 Ti2 Co4 O10\n1.0\n5.092901 -0.056962 0.039138\n1.875855 4.741536 0.014208\n2.596950 -0.015152 7.325934\nLi Ti Co O\n4 2 4 10\ndirect\n0.101687 0.504188 0.793503 Li\n0.202727 0.001122 0.598673 Li\n0.491726 0.487463 0.001499 Li\n0.798951 0.002317 0.405426 Li\n0.704969 0.493647 0.611543 Ti\n0.010515 -0.003360 -0.002241 Ti\n0.873913 0.512799 0.202866 Co\n0.600405 0.000209 0.791549 Co\n0.313102 0.505358 0.389495 Co\n0.400122 0.983358 0.216671 Co\n0.939443 0.736307 0.595826 O\n0.145570 0.755448 0.185804 O\n0.044641 0.264837 0.407890 O\n0.347564 0.745951 0.800880 O\n0.546619 0.746274 0.417043 O\n0.663732 0.237570 0.185868 O\n0.236917 0.237453 0.005959 O\n0.467545 0.267067 0.597898 O\n0.753948 0.770575 -0.004792 O\n0.855888 0.251435 0.798639 O\n",
"nsites": 20,
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{
"id": "jvasp-42986",
"created_at": "2022-09-04T14:38:09.856210Z",
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"structure_string": "Li2 Ti2 Fe2 O8\n1.0\n5.756968 -0.000000 0.000000\n2.878484 5.013594 -0.082646\n2.878484 1.593278 4.754410\nLi Ti Fe O\n2 2 2 8\ndirect\n0.125028 0.124972 0.124972 Li\n0.874971 0.875028 0.875027 Li\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 -0.000000 Ti\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.263491 0.258202 0.258201 O\n0.256587 0.273938 0.712886 O\n0.256587 0.712886 0.273938 O\n0.720106 0.258202 0.258201 O\n0.279893 0.741798 0.741798 O\n0.743413 0.726062 0.287113 O\n0.743412 0.287114 0.726062 O\n0.736509 0.741798 0.741798 O\n",
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}