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{
"id": "jvasp-20266",
"created_at": "2022-09-04T14:37:40.525903Z",
"updated_at": "2022-09-04T14:37:40.525937Z",
"structure_string": "Yb2 Ni4\n1.0\n4.259807 0.000000 2.459400\n1.419936 4.016184 2.459400\n0.000000 0.000000 4.918801\nYb Ni\n2 4\ndirect\n0.875002 0.874999 0.874999 Yb\n0.125000 0.125000 0.125000 Yb\n0.500001 0.499999 0.500000 Ni\n0.500001 0.499999 -0.000000 Ni\n0.000001 0.499999 0.500000 Ni\n0.500000 -0.000000 0.500000 Ni\n",
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{
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"structure_string": "Np2 Ir4\n1.0\n4.633668 0.000000 2.675249\n1.544556 4.368664 2.675249\n0.000000 0.000000 5.350498\nNp Ir\n2 4\ndirect\n0.875001 0.874999 0.875000 Np\n0.125000 0.125000 0.125000 Np\n0.500001 0.500000 0.500000 Ir\n0.500001 0.500000 -0.000000 Ir\n0.000001 0.500000 0.500000 Ir\n0.500000 -0.000000 0.500000 Ir\n",
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{
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"updated_at": "2022-09-04T14:37:40.793917Z",
"structure_string": "Mg16 B2 Pt8\n1.0\n7.513573 0.000000 4.337963\n2.504524 7.083865 4.337963\n0.000000 0.000000 8.675927\nMg B Pt\n16 2 8\ndirect\n0.675128 0.675128 0.074872 Mg\n0.074872 0.074872 0.675128 Mg\n-0.000000 0.500000 0.500000 Mg\n0.925128 0.324872 0.324872 Mg\n0.324871 0.925128 0.324872 Mg\n0.074872 0.675128 0.675129 Mg\n0.675128 0.074872 0.675128 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 -0.000000 0.500000 Mg\n0.324872 0.324872 0.925129 Mg\n0.324871 0.925128 0.925129 Mg\n0.925128 0.324872 0.925128 Mg\n0.074872 0.675128 0.074872 Mg\n0.500000 0.500000 0.500000 Mg\n0.925127 0.925128 0.324872 Mg\n0.675128 0.074872 0.074872 Mg\n0.625000 0.625000 0.625000 B\n0.375000 0.375000 0.375000 B\n0.274766 0.675702 0.274766 Pt\n0.725233 0.725234 0.725234 Pt\n0.725234 0.324298 0.725234 Pt\n0.324298 0.725234 0.725234 Pt\n0.675702 0.274766 0.274766 Pt\n0.274766 0.274766 0.274766 Pt\n0.274766 0.274766 0.675702 Pt\n0.725233 0.725234 0.324298 Pt\n",
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"B",
"Pt"
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"density_atomic": 0.056304184481512684,
"volume": 461.77740143873365,
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"formula_full": "Mg16 B2 Pt8",
"formula_reduced": "Mg8BPt4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 0.7158054294871796,
"spacegroup": 227
},
{
"id": "jvasp-20247",
"created_at": "2022-09-04T14:37:41.138321Z",
"updated_at": "2022-09-04T14:37:41.138337Z",
"structure_string": "Li2 Zn2\n1.0\n3.761735 0.000000 2.171839\n1.253911 3.546598 2.171839\n0.000000 0.000000 4.343678\nLi Zn\n2 2\ndirect\n0.874998 0.875001 0.875001 Li\n0.125000 0.125000 0.125000 Li\n0.374999 0.375000 0.375001 Zn\n0.624999 0.625000 0.625001 Zn\n",
"nsites": 4,
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"elements": [
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"Zn"
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"density": 4.146291607716993,
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"volume": 57.95057986028185,
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"spacegroup": 227
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{
"id": "jvasp-19809",
"created_at": "2022-09-04T14:37:41.701450Z",
"updated_at": "2022-09-04T14:37:41.701469Z",
"structure_string": "Ba2 Pd4\n1.0\n4.954332 -0.000000 2.860385\n1.651444 4.670989 2.860385\n-0.000000 -0.000000 5.720770\nBa Pd\n2 4\ndirect\n0.125000 0.125000 0.125000 Ba\n0.874999 0.875000 0.875002 Ba\n0.500000 0.000000 0.500001 Pd\n-0.000000 0.500000 0.500001 Pd\n0.499999 0.500000 0.500001 Pd\n0.499999 0.500000 0.000001 Pd\n",
"nsites": 6,
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"volume": 132.38794422458182,
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"formula_full": "Ba2 Pd4",
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},
{
"id": "jvasp-25090",
"created_at": "2022-09-04T14:37:41.803039Z",
"updated_at": "2022-09-04T14:37:41.803060Z",
"structure_string": "Se2\n1.0\n3.877363 -0.000000 2.238597\n1.292454 3.655613 2.238597\n-0.000000 -0.000000 4.477193\nSe\n2\ndirect\n0.874999 0.874999 0.875002 Se\n0.125000 0.125000 0.125000 Se\n",
"nsites": 2,
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"elements": [
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"density": 4.132222916848017,
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"volume": 63.46035406954714,
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"formula_full": "Se2",
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"formula_anonymous": "A",
"energy_above_hull": 0.5344433666666666,
"spacegroup": 227
},
{
"id": "jvasp-1002",
"created_at": "2022-09-04T14:37:42.447438Z",
"updated_at": "2022-09-04T14:37:42.447468Z",
"structure_string": "Si2\n1.0\n3.364150 -0.000000 1.942293\n1.121383 3.171752 1.942293\n-0.000000 -0.000000 3.884586\nSi\n2\ndirect\n0.874999 0.875000 0.875000 Si\n0.125000 0.125000 0.125000 Si\n",
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"elements": [
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"density_atomic": 0.04825148466697366,
"volume": 41.44950178846881,
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"formula_full": "Si2",
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"energy_above_hull": 1.4000000003733248e-06,
"spacegroup": 227
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{
"id": "jvasp-19814",
"created_at": "2022-09-04T14:37:42.000423Z",
"updated_at": "2022-09-04T14:37:42.000448Z",
"structure_string": "Tb2 Pt4\n1.0\n4.709345 0.000000 2.718942\n1.569781 4.440014 2.718942\n-0.000000 0.000000 5.437884\nTb Pt\n2 4\ndirect\n0.125000 0.125000 0.125000 Tb\n0.875001 0.874999 0.874999 Tb\n0.000000 0.500000 0.500000 Pt\n0.500000 -0.000000 0.499999 Pt\n0.500001 0.500000 -0.000000 Pt\n0.500001 0.500000 0.499999 Pt\n",
"nsites": 6,
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"density": 16.038010416430705,
"density_atomic": 0.052768708419871954,
"volume": 113.70374943155676,
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"formula_full": "Tb2 Pt4",
"formula_reduced": "TbPt2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5986904,
"spacegroup": 227
},
{
"id": "jvasp-59660",
"created_at": "2022-09-04T14:37:42.193629Z",
"updated_at": "2022-09-04T14:37:42.193646Z",
"structure_string": "Co6 Se8\n1.0\n6.037352 0.000000 3.485666\n2.012451 5.692070 3.485666\n-0.000000 -0.000000 6.971333\nCo Se\n6 8\ndirect\n0.125000 0.125000 0.125000 Co\n0.875000 0.875000 0.875001 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000001 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 -0.000000 0.500000 Co\n0.257252 0.257253 0.257253 Se\n0.742747 0.742748 0.271758 Se\n0.271757 0.742748 0.742748 Se\n0.742747 0.271757 0.742748 Se\n0.728242 0.257253 0.257253 Se\n0.257252 0.728243 0.257253 Se\n0.257252 0.257253 0.728243 Se\n0.742747 0.742748 0.742748 Se\n",
"nsites": 14,
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"volume": 239.57006906977557,
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"formula_full": "Co6 Se8",
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},
{
"id": "jvasp-59568",
"created_at": "2022-09-04T14:37:42.310064Z",
"updated_at": "2022-09-04T14:37:42.310091Z",
"structure_string": "Mg2 V4 O8\n1.0\n5.168212 0.000000 2.983869\n1.722737 4.872638 2.983869\n-0.000000 -0.000000 5.967738\nMg V O\n2 4 8\ndirect\n0.875000 0.874999 0.875000 Mg\n0.125000 0.125000 0.125000 Mg\n0.500001 0.500000 0.500000 V\n0.500001 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.500001 0.000000 0.500000 V\n0.740600 0.740599 0.740601 O\n0.259400 0.259400 0.721800 O\n0.259401 0.721798 0.259401 O\n0.721799 0.259400 0.259401 O\n0.740599 0.278202 0.740599 O\n0.278202 0.740599 0.740599 O\n0.259400 0.259400 0.259401 O\n0.740600 0.740599 0.278201 O\n",
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"volume": 150.28450876121178,
"volume_molar": 6.464531898624789,
"formula_full": "Mg2 V4 O8",
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"spacegroup": 227
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{
"id": "jvasp-23852",
"created_at": "2022-09-04T14:37:42.675458Z",
"updated_at": "2022-09-04T14:37:42.675477Z",
"structure_string": "Cr4 Cu2 S8\n1.0\n5.902734 0.000000 3.407945\n1.967578 5.565151 3.407945\n0.000000 0.000000 6.815890\nCr Cu S\n4 2 8\ndirect\n0.500000 0.500000 0.499999 Cr\n0.500000 0.500000 -0.000001 Cr\n0.500000 -0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.875000 0.875000 0.874999 Cu\n0.125000 0.125000 0.125000 Cu\n0.742774 0.742774 0.742774 S\n0.257225 0.257225 0.728325 S\n0.257226 0.728325 0.257225 S\n0.728324 0.257225 0.257225 S\n0.742774 0.271675 0.742774 S\n0.271675 0.742774 0.742774 S\n0.257225 0.257225 0.257225 S\n0.742774 0.742774 0.271674 S\n",
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{
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"created_at": "2022-09-04T14:37:42.407069Z",
"updated_at": "2022-09-04T14:37:42.407100Z",
"structure_string": "Pr2 S4\n1.0\n4.882640 0.000000 2.818994\n1.627547 4.603398 2.818994\n-0.000000 0.000000 5.637988\nPr S\n2 4\ndirect\n0.125000 0.125000 0.125000 Pr\n0.875000 0.875000 0.874999 Pr\n0.500000 -0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n0.500000 0.500000 0.499999 S\n0.500000 0.500000 -0.000001 S\n",
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}