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{
"id": "jvasp-62692",
"created_at": "2022-09-04T14:36:11.939087Z",
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"structure_string": "B2 Pt4\n1.0\n1.476077 -2.556639 0.000000\n1.476077 2.556639 -0.000000\n0.000000 -0.000000 10.405801\nB Pt\n2 4\ndirect\n0.333334 0.666668 0.250000 B\n0.666668 0.333334 0.750000 B\n0.333334 0.666668 0.615930 Pt\n0.666668 0.333334 0.115930 Pt\n0.666668 0.333334 0.384070 Pt\n0.333334 0.666668 0.884070 Pt\n",
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{
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"structure_string": "B2 Pt4\n1.0\n-1.518980 -2.483398 -0.000000\n-1.518980 2.483398 0.000000\n0.000000 -0.000000 -10.401619\nB Pt\n2 4\ndirect\n0.673259 0.326741 0.750000 B\n0.326741 0.673259 0.250000 B\n0.669979 0.330021 0.115936 Pt\n0.330021 0.669979 0.884064 Pt\n0.330021 0.669979 0.615936 Pt\n0.669979 0.330021 0.384064 Pt\n",
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{
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"structure_string": "B2 Pt2\n1.0\n-1.617491 -2.801755 0.000000\n-1.617491 2.801755 -0.000000\n0.000000 -0.000000 -5.260468\nB Pt\n2 2\ndirect\n0.666688 0.333311 0.750000 B\n0.333311 0.666688 0.250000 B\n0.000000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
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{
"id": "jvasp-35805",
"created_at": "2022-09-04T14:37:29.972838Z",
"updated_at": "2022-09-04T14:37:29.972859Z",
"structure_string": "Sc1 B1 Pt3\n1.0\n4.256761 -0.000000 0.000000\n-0.000000 4.256761 -0.000000\n-0.000000 -0.000000 4.256761\nSc B Pt\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 5,
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"elements": [
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"B",
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],
"chemical_system": "B-Pt-Sc",
"density": 13.800097006767384,
"density_atomic": 0.06482345930000234,
"volume": 77.13256981334564,
"volume_molar": 9.290063851929887,
"formula_full": "Sc1 B1 Pt3",
"formula_reduced": "ScBPt3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.059460406666666,
"spacegroup": 221
},
{
"id": "jvasp-21106",
"created_at": "2022-09-04T14:38:32.948873Z",
"updated_at": "2022-09-04T14:38:32.948892Z",
"structure_string": "Y3 B3 Pt6\n1.0\n2.673220 -4.630153 -0.000000\n2.673220 4.630153 -0.000000\n0.000000 0.000000 7.998545\nY B Pt\n3 3 6\ndirect\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.166667 Y\n0.500000 0.500000 0.833334 Y\n0.000000 0.500000 0.666667 B\n0.500000 0.000000 0.000000 B\n0.500000 0.500000 0.333333 B\n0.305908 0.152954 0.166667 Pt\n0.152954 0.305908 0.500000 Pt\n0.847045 0.152955 0.833334 Pt\n0.847046 0.694092 0.500000 Pt\n0.152955 0.847045 0.833334 Pt\n0.694092 0.847046 0.166667 Pt\n",
"nsites": 12,
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"elements": [
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"chemical_system": "B-Pt-Y",
"density": 12.325181658174001,
"density_atomic": 0.06060524538674284,
"volume": 198.00266335733627,
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"formula_full": "Y3 B3 Pt6",
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"formula_anonymous": "ABC2",
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"spacegroup": 180
},
{
"id": "jvasp-35822",
"created_at": "2022-09-04T14:37:33.186944Z",
"updated_at": "2022-09-04T14:37:33.186970Z",
"structure_string": "Y1 B1 Pt3\n1.0\n4.339555 -0.000000 -0.000000\n-0.000000 4.339555 0.000000\n0.000000 0.000000 4.339555\nY B Pt\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500001 0.500001 0.500001 B\n0.000000 0.500001 0.500001 Pt\n0.500001 0.500001 0.000000 Pt\n0.500001 0.000000 0.500001 Pt\n",
"nsites": 5,
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"formula_full": "Y1 B1 Pt3",
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"spacegroup": 221
},
{
"id": "jvasp-14795",
"created_at": "2022-09-04T14:36:08.683320Z",
"updated_at": "2022-09-04T14:36:08.683346Z",
"structure_string": "Pu1 B2\n1.0\n1.586716 -2.748273 0.000000\n1.586716 2.748273 -0.000000\n0.000000 0.000000 4.017910\nPu B\n1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.333335 0.666668 0.500000 B\n0.666668 0.333335 0.500000 B\n",
"nsites": 3,
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"volume": 35.04203123526339,
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"formula_full": "Pu1 B2",
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"spacegroup": 191
},
{
"id": "jvasp-23428",
"created_at": "2022-09-04T14:37:36.929836Z",
"updated_at": "2022-09-04T14:37:36.929863Z",
"structure_string": "Pu4 B16\n1.0\n6.982364 -0.000000 -0.000000\n0.000000 6.982364 -0.000000\n-0.000000 -0.000000 3.926482\nPu B\n4 16\ndirect\n0.189866 0.689866 0.000000 Pu\n0.689866 0.810134 0.000000 Pu\n0.310134 0.189866 0.000000 Pu\n0.810134 0.310134 0.000000 Pu\n0.179416 0.961390 0.500000 B\n0.038610 0.179416 0.500000 B\n0.413529 0.913529 0.500000 B\n0.913529 0.586470 0.500000 B\n0.086471 0.413529 0.500000 B\n0.586470 0.086471 0.500000 B\n0.500000 0.500000 0.200429 B\n0.500000 0.500000 0.799570 B\n0.820584 0.038610 0.500000 B\n0.000000 0.000000 0.200429 B\n0.461390 0.679415 0.500000 B\n0.538609 0.320584 0.500000 B\n0.679415 0.538609 0.500000 B\n0.320584 0.461390 0.500000 B\n0.000000 0.000000 0.799570 B\n0.961390 0.820584 0.500000 B\n",
"nsites": 20,
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"elements": [
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"chemical_system": "B-Pu",
"density": 9.966701992469558,
"density_atomic": 0.10447717329581482,
"volume": 191.42937513606302,
"volume_molar": 5.764073213341078,
"formula_full": "Pu4 B16",
"formula_reduced": "PuB4",
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"spacegroup": 127
},
{
"id": "jvasp-26864",
"created_at": "2022-09-04T14:38:34.845142Z",
"updated_at": "2022-09-04T14:38:34.845169Z",
"structure_string": "Pu1 B6\n1.0\n4.107062 0.000000 -0.000000\n0.000000 4.107062 -0.000000\n0.000000 0.000000 4.107062\nPu B\n1 6\ndirect\n0.000000 0.000000 0.000000 Pu\n0.198610 0.500000 0.500000 B\n0.500000 0.500000 0.801390 B\n0.500000 0.500000 0.198610 B\n0.500000 0.198610 0.500000 B\n0.500000 0.801390 0.500000 B\n0.801390 0.500000 0.500000 B\n",
"nsites": 7,
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"elements": [
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"chemical_system": "B-Pu",
"density": 7.403301292515318,
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"volume": 69.27775043587616,
"volume_molar": 5.960005209442824,
"formula_full": "Pu1 B6",
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"spacegroup": 221
},
{
"id": "jvasp-15049",
"created_at": "2022-09-04T14:36:38.500669Z",
"updated_at": "2022-09-04T14:36:38.500696Z",
"structure_string": "Pu1 B1\n1.0\n3.160507 0.000000 1.824720\n1.053502 2.979755 1.824720\n0.000000 0.000000 3.649439\nPu B\n1 1\ndirect\n0.500000 0.500001 0.500000 Pu\n0.000000 0.000000 0.000000 B\n",
"nsites": 2,
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"elements": [
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"chemical_system": "B-Pu",
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"volume": 34.36872511761868,
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"formula_full": "Pu1 B1",
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},
{
"id": "jvasp-63069",
"created_at": "2022-09-04T14:35:50.931721Z",
"updated_at": "2022-09-04T14:35:50.931748Z",
"structure_string": "Pu1 B2 Rh3\n1.0\n4.876057 2.815196 -0.019390\n-4.876057 2.815196 -0.019390\n0.000000 0.019662 2.852798\nPu B Rh\n1 2 3\ndirect\n0.500001 0.500001 0.500001 Pu\n0.166671 0.833330 0.500001 B\n0.833330 0.166671 0.500001 B\n0.000000 0.000000 0.000000 Rh\n0.000000 0.500001 0.000000 Rh\n0.500001 0.000000 0.000000 Rh\n",
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"formula_full": "Pu1 B2 Rh3",
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"formula_anonymous": "AB2C3",
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},
{
"id": "jvasp-93348",
"created_at": "2022-09-04T14:36:03.544968Z",
"updated_at": "2022-09-04T14:36:03.544979Z",
"structure_string": "Pu1 B2 Ru3\n1.0\n-0.000058 -0.000018 2.914915\n5.523503 -0.000041 -0.000055\n-2.761786 4.783409 0.000027\nPu B Ru\n1 2 3\ndirect\n0.000002 0.999999 0.000001 Pu\n0.000001 0.333334 0.666664 B\n1.000000 0.666666 0.333335 B\n0.500000 0.499999 0.500000 Ru\n0.500000 -0.000000 0.500000 Ru\n0.500001 0.499999 1.000000 Ru\n",
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}