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{
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"results": [
{
"id": "jvasp-104603",
"created_at": "2022-09-04T14:36:58.932455Z",
"updated_at": "2022-09-04T14:36:58.932481Z",
"structure_string": "Nb2 Re1 Ru1\n1.0\n3.915718 -0.000000 2.260741\n1.305239 3.691774 2.260741\n-0.000000 -0.000000 4.521482\nNb Re Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nb\n0.750001 0.749999 0.750000 Nb\n0.500001 0.499999 0.500000 Re\n0.000000 0.000000 0.000000 Ru\n",
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"density": 12.018916686579848,
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"volume": 65.36229919669798,
"volume_molar": 9.840524153993753,
"formula_full": "Nb2 Re1 Ru1",
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{
"id": "jvasp-20913",
"created_at": "2022-09-04T14:38:36.595217Z",
"updated_at": "2022-09-04T14:38:36.595243Z",
"structure_string": "Rb12 Nb4 S16\n1.0\n9.599277 0.000000 0.000000\n-0.000000 9.657139 0.000000\n0.000000 0.000000 10.990389\nRb Nb S\n12 4 16\ndirect\n0.051258 0.290824 0.542538 Rb\n0.858301 0.915465 0.750000 Rb\n0.141699 0.084535 0.250000 Rb\n0.641699 0.415465 0.250000 Rb\n0.948742 0.709176 0.457462 Rb\n0.448742 0.790825 0.042538 Rb\n0.551259 0.209176 0.542538 Rb\n0.051258 0.290824 0.957462 Rb\n0.948742 0.709176 0.042538 Rb\n0.551259 0.209176 0.957462 Rb\n0.448742 0.790825 0.457462 Rb\n0.358301 0.584535 0.750000 Rb\n0.217865 0.515394 0.250000 Nb\n0.717865 0.984606 0.250000 Nb\n0.282135 0.015394 0.750000 Nb\n0.782135 0.484606 0.750000 Nb\n0.833498 0.050243 0.423214 S\n0.166502 0.949757 0.923214 S\n0.166502 0.949757 0.576786 S\n0.666503 0.550243 0.923214 S\n0.333498 0.449757 0.423214 S\n0.833498 0.050243 0.076786 S\n0.997035 0.421070 0.250000 S\n0.497035 0.078930 0.250000 S\n0.002965 0.578930 0.750000 S\n0.699121 0.747843 0.250000 S\n0.199121 0.752157 0.250000 S\n0.800879 0.247843 0.750000 S\n0.300879 0.252157 0.750000 S\n0.333498 0.449757 0.076786 S\n0.502965 0.921070 0.750000 S\n0.666503 0.550243 0.576786 S\n",
"nsites": 32,
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"elements": [
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"S"
],
"chemical_system": "Nb-Rb-S",
"density": 3.113478387405185,
"density_atomic": 0.031408696100748035,
"volume": 1018.8261205544883,
"volume_molar": 19.173482212324554,
"formula_full": "Rb12 Nb4 S16",
"formula_reduced": "Rb3NbS4",
"formula_anonymous": "AB3C4",
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"spacegroup": 62
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{
"id": "jvasp-38222",
"created_at": "2022-09-04T14:37:45.787795Z",
"updated_at": "2022-09-04T14:37:45.787823Z",
"structure_string": "Rb3 Nb1\n1.0\n-3.316368 3.316368 4.691329\n3.316368 -3.316368 4.691329\n3.316368 3.316368 -4.691329\nRb Nb\n3 1\ndirect\n0.750001 0.249999 0.500001 Rb\n0.249999 0.750001 0.500001 Rb\n0.500001 0.500001 0.000000 Rb\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Nb-Rb",
"density": 2.8104672485466495,
"density_atomic": 0.019381111376803428,
"volume": 206.38651325163218,
"volume_molar": 31.07221584417336,
"formula_full": "Rb3 Nb1",
"formula_reduced": "Rb3Nb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.94912985,
"spacegroup": 225
},
{
"id": "jvasp-21000",
"created_at": "2022-09-04T14:38:17.387915Z",
"updated_at": "2022-09-04T14:38:17.387931Z",
"structure_string": "Zr4 Nb4 P4\n1.0\n3.593162 -0.000000 0.000000\n-0.000000 6.924571 0.000000\n0.000000 0.000000 8.369659\nZr Nb P\n4 4 4\ndirect\n0.250000 0.036504 0.668541 Zr\n0.750000 0.463496 0.168541 Zr\n0.250000 0.536504 0.831459 Zr\n0.750000 0.963496 0.331459 Zr\n0.250000 0.638475 0.440651 Nb\n0.750000 0.361525 0.559349 Nb\n0.250000 0.138475 0.059349 Nb\n0.750000 0.861525 0.940651 Nb\n0.750000 0.241177 0.857296 P\n0.250000 0.258823 0.357296 P\n0.750000 0.741177 0.642704 P\n0.250000 0.758823 0.142704 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Nb",
"P"
],
"chemical_system": "Nb-P-Zr",
"density": 6.86088953752045,
"density_atomic": 0.05762405432625905,
"volume": 208.24636760297597,
"volume_molar": 10.450741153865208,
"formula_full": "Zr4 Nb4 P4",
"formula_reduced": "ZrNbP",
"formula_anonymous": "ABC",
"energy_above_hull": 3.422153133333334,
"spacegroup": 62
},
{
"id": "jvasp-40817",
"created_at": "2022-09-04T14:37:43.446375Z",
"updated_at": "2022-09-04T14:37:43.446396Z",
"structure_string": "Nb1 Tl1 Pt1\n1.0\n3.901566 0.000000 2.252573\n1.300523 3.678435 2.252574\n-0.000000 0.000001 4.505147\nNb Tl Pt\n1 1 1\ndirect\n1.000000 0.000000 -0.000001 Nb\n0.250000 0.250001 0.249999 Tl\n0.500002 0.500000 0.499999 Pt\n",
"nsites": 3,
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"elements": [
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"Tl",
"Pt"
],
"chemical_system": "Nb-Pt-Tl",
"density": 12.645411190971123,
"density_atomic": 0.04639917766507585,
"volume": 64.6563183006165,
"volume_molar": 12.97898166098922,
"formula_full": "Nb1 Tl1 Pt1",
"formula_reduced": "NbTlPt",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4249744666666664,
"spacegroup": 216
},
{
"id": "jvasp-81302",
"created_at": "2022-09-04T14:37:15.825682Z",
"updated_at": "2022-09-04T14:37:15.825708Z",
"structure_string": "Ti2 Nb1 Pt1\n1.0\n-12.054116 2.241025 -3.299869\n-8.335305 0.959040 0.030877\n-7.389271 3.634831 -1.607703\nTi Nb Pt\n2 1 1\ndirect\n0.749374 0.000398 0.000396 Ti\n0.250627 -0.000397 -0.000398 Ti\n0.000000 0.000000 0.000000 Nb\n0.500001 0.000000 -0.000001 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Nb",
"Pt"
],
"chemical_system": "Nb-Pt-Ti",
"density": 9.656054217650658,
"density_atomic": 0.060616547434363566,
"volume": 65.98858181969626,
"volume_molar": 9.934813206774697,
"formula_full": "Ti2 Nb1 Pt1",
"formula_reduced": "Ti2NbPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.8329568666666662,
"spacegroup": 71
},
{
"id": "jvasp-21601",
"created_at": "2022-09-04T14:38:35.247064Z",
"updated_at": "2022-09-04T14:38:35.247096Z",
"structure_string": "Nb4 Si4 Pt4\n1.0\n3.868691 -0.000000 0.000000\n0.000000 6.506230 0.000000\n0.000000 0.000000 7.443404\nNb Si Pt\n4 4 4\ndirect\n0.750000 0.473879 0.335582 Nb\n0.250000 0.026121 0.835582 Nb\n0.750000 0.973879 0.164417 Nb\n0.250000 0.526121 0.664417 Nb\n0.250000 0.270189 0.124865 Si\n0.250000 0.770189 0.375135 Si\n0.750000 0.729811 0.875135 Si\n0.750000 0.229811 0.624865 Si\n0.250000 0.652889 0.067034 Pt\n0.250000 0.152889 0.432966 Pt\n0.750000 0.847111 0.567033 Pt\n0.750000 0.347111 0.932966 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"Si",
"Pt"
],
"chemical_system": "Nb-Pt-Si",
"density": 11.205607286506076,
"density_atomic": 0.06404956721525998,
"volume": 187.35489593036576,
"volume_molar": 9.402312961398447,
"formula_full": "Nb4 Si4 Pt4",
"formula_reduced": "NbSiPt",
"formula_anonymous": "ABC",
"energy_above_hull": 3.088913133333333,
"spacegroup": 62
},
{
"id": "jvasp-119051",
"created_at": "2022-09-04T14:38:51.479369Z",
"updated_at": "2022-09-04T14:38:51.479395Z",
"structure_string": "Nb8 Pt1 Se20\n1.0\n9.981286 -0.026062 2.866787\n9.385786 3.396139 2.866787\n0.170818 0.029724 19.585460\nNb Pt Se\n8 1 20\ndirect\n0.077720 0.077720 0.091587 Nb\n0.922281 0.922280 0.908414 Nb\n0.329966 0.329965 0.811251 Nb\n0.670035 0.670035 0.188749 Nb\n0.269883 0.269883 0.279525 Nb\n0.730118 0.730117 0.720475 Nb\n0.150336 0.150335 0.556529 Nb\n0.849665 0.849665 0.443472 Nb\n0.500000 0.500000 0.000000 Pt\n0.793069 0.793067 0.914867 Se\n0.206932 0.206932 0.085133 Se\n0.522573 0.522572 0.867964 Se\n0.477428 0.477428 0.132036 Se\n0.668791 0.668791 0.324102 Se\n0.331210 0.331209 0.675898 Se\n0.744483 0.744482 0.572440 Se\n0.255518 0.255517 0.427560 Se\n0.801655 0.801656 0.173934 Se\n0.861700 0.861701 0.300757 Se\n0.623020 0.623018 0.987884 Se\n0.376982 0.376982 0.012116 Se\n0.069452 0.069452 0.229068 Se\n0.138301 0.138299 0.699243 Se\n0.595956 0.595956 0.483196 Se\n0.404045 0.404044 0.516804 Se\n0.549316 0.549315 0.611446 Se\n0.450685 0.450684 0.388554 Se\n0.198346 0.198344 0.826066 Se\n0.930549 0.930548 0.770932 Se\n",
"nsites": 29,
"nelements": 3,
"elements": [
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"Pt",
"Se"
],
"chemical_system": "Nb-Pt-Se",
"density": 6.2678560342581315,
"density_atomic": 0.043480285705501005,
"volume": 666.9689384384841,
"volume_molar": 13.850278723532158,
"formula_full": "Nb8 Pt1 Se20",
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"formula_anonymous": "AB8C20",
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"spacegroup": 12
},
{
"id": "jvasp-16585",
"created_at": "2022-09-04T14:37:43.996477Z",
"updated_at": "2022-09-04T14:37:43.996499Z",
"structure_string": "Nb1 Pt2\n1.0\n2.715635 0.000000 -0.814729\n-0.487053 3.628780 -1.623430\n0.002349 0.000601 4.941037\nNb Pt\n1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.335638 0.335636 0.671273 Pt\n0.664365 0.664363 0.328728 Pt\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Nb-Pt",
"density": 16.47120096752667,
"density_atomic": 0.06160038382514039,
"volume": 48.70099524892308,
"volume_molar": 9.776141618036867,
"formula_full": "Nb1 Pt2",
"formula_reduced": "NbPt2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.942844066666666,
"spacegroup": 71
},
{
"id": "jvasp-92168",
"created_at": "2022-09-04T14:36:16.076112Z",
"updated_at": "2022-09-04T14:36:16.076149Z",
"structure_string": "Nb2 Pt6\n1.0\n0.000000 4.625542 -0.000000\n0.000000 -0.000000 4.942684\n5.620004 0.000000 0.000000\nNb Pt\n2 6\ndirect\n0.750000 0.340419 0.749999 Nb\n0.250000 0.659579 0.250000 Nb\n0.750000 0.834771 0.000213 Pt\n0.750000 0.834771 0.499786 Pt\n0.250000 0.165228 0.999786 Pt\n0.250000 0.165228 0.500213 Pt\n0.250000 0.659003 0.749999 Pt\n0.750000 0.340996 0.250000 Pt\n",
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"elements": [
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"density": 17.528636170768454,
"density_atomic": 0.06226269113576348,
"volume": 128.4878609335411,
"volume_molar": 9.672149806163619,
"formula_full": "Nb2 Pt6",
"formula_reduced": "NbPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.1717309,
"spacegroup": 59
},
{
"id": "jvasp-21816",
"created_at": "2022-09-04T14:38:33.826351Z",
"updated_at": "2022-09-04T14:38:33.826378Z",
"structure_string": "Nb4 Pt12\n1.0\n0.000000 4.942377 0.003751\n5.615522 0.000000 0.000000\n0.000000 -1.738406 -9.261456\nNb Pt\n4 12\ndirect\n0.379160 0.750000 0.622468 Nb\n0.620840 0.250000 0.377533 Nb\n0.212819 0.750000 0.127555 Nb\n0.787181 0.250000 0.872446 Nb\n0.792229 0.750000 0.871726 Pt\n0.207771 0.250000 0.128275 Pt\n0.608431 0.750000 0.375694 Pt\n0.391569 0.250000 0.624307 Pt\n0.881163 0.999232 0.626020 Pt\n0.118837 0.499232 0.373980 Pt\n0.118837 0.000768 0.373980 Pt\n0.881163 0.500768 0.626020 Pt\n0.291741 0.998629 0.877385 Pt\n0.708259 0.498629 0.122616 Pt\n0.708259 0.001370 0.122616 Pt\n0.291741 0.501370 0.877385 Pt\n",
"nsites": 16,
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"chemical_system": "Nb-Pt",
"density": 17.526565626524878,
"density_atomic": 0.06225533644738585,
"volume": 257.0060803305136,
"volume_molar": 9.673292449538879,
"formula_full": "Nb4 Pt12",
"formula_reduced": "NbPt3",
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"energy_above_hull": 3.1722884,
"spacegroup": 11
},
{
"id": "jvasp-15003",
"created_at": "2022-09-04T14:36:11.176363Z",
"updated_at": "2022-09-04T14:36:11.176399Z",
"structure_string": "Nb6 Pt2\n1.0\n5.205701 0.000000 0.000000\n-0.000000 5.205701 0.000000\n-0.000000 0.000000 5.205701\nNb Pt\n6 2\ndirect\n0.250000 0.000000 0.500000 Nb\n0.750000 0.000000 0.500000 Nb\n0.000000 0.500000 0.250000 Nb\n0.000000 0.500000 0.750000 Nb\n0.500000 0.750000 0.000000 Nb\n0.500000 0.250000 0.000000 Nb\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Nb-Pt",
"density": 11.154224159215667,
"density_atomic": 0.05670904416429382,
"volume": 141.0709723271461,
"volume_molar": 10.619365656301731,
"formula_full": "Nb6 Pt2",
"formula_reduced": "Nb3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 4.6717524,
"spacegroup": 223
}
]
}