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{
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"results": [
{
"id": "jvasp-18251",
"created_at": "2022-09-04T14:38:11.725212Z",
"updated_at": "2022-09-04T14:38:11.725239Z",
"structure_string": "Ni3 Pb2 S2\n1.0\n4.895234 -0.023031 2.757033\n1.600769 4.626164 2.757033\n-0.032502 -0.023031 5.618140\nNi Pb S\n3 2 2\ndirect\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 -0.000000 Ni\n0.000000 0.500000 -0.000000 Ni\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.727617 0.727617 0.727617 S\n0.272382 0.272382 0.272382 S\n",
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{
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"structure_string": "Ni3 Pb2 Se2\n1.0\n4.963026 -0.016815 3.032159\n1.692534 4.665537 3.032159\n-0.024074 -0.016815 5.815929\nNi Pb Se\n3 2 2\ndirect\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500001 -0.000001 0.500000 Ni\n0.500001 0.499999 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.779183 0.779181 0.779182 Se\n0.220818 0.220818 0.220818 Se\n",
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{
"id": "jvasp-109697",
"created_at": "2022-09-04T14:38:19.179979Z",
"updated_at": "2022-09-04T14:38:19.179990Z",
"structure_string": "Ni3 Pb2 Se1 S1\n1.0\n4.922214 -0.018766 2.886063\n1.644434 4.639438 2.886063\n-0.026670 -0.018766 5.705860\nNi Pb Se S\n3 2 1 1\ndirect\n0.993773 0.993774 0.503605 Ni\n0.503604 0.993774 0.993775 Ni\n0.993774 0.503604 0.993775 Ni\n0.000126 0.000126 0.000126 Pb\n0.504396 0.504396 0.504397 Pb\n0.278430 0.278430 0.278430 Se\n0.725891 0.725891 0.725892 S\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"density_atomic": 0.05342984468152212,
"volume": 131.01292062001522,
"volume_molar": 11.271117847891974,
"formula_full": "Ni3 Pb2 Se1 S1",
"formula_reduced": "Ni3Pb2SeS",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.076854600952381,
"spacegroup": 160
},
{
"id": "jvasp-51597",
"created_at": "2022-09-04T14:38:01.554874Z",
"updated_at": "2022-09-04T14:38:01.554899Z",
"structure_string": "Tb10 Ni2 Pb6\n1.0\n4.576714 -7.927101 -0.000000\n4.576714 7.927101 -0.000000\n-0.000000 0.000000 6.700646\nTb Ni Pb\n10 2 6\ndirect\n0.239684 0.239684 0.750000 Tb\n0.666666 0.333333 0.000000 Tb\n-0.000000 0.239684 0.250000 Tb\n0.760315 0.760315 0.250000 Tb\n0.666666 0.333333 0.500000 Tb\n0.333333 0.666666 0.000000 Tb\n0.760315 -0.000000 0.750000 Tb\n0.239684 -0.000000 0.250000 Tb\n-0.000000 0.760315 0.750000 Tb\n0.333333 0.666666 0.500000 Tb\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n-0.000000 0.398841 0.750000 Pb\n0.601158 -0.000000 0.250000 Pb\n-0.000000 0.601158 0.250000 Pb\n0.601158 0.601158 0.750000 Pb\n0.398841 0.398841 0.250000 Pb\n0.398841 -0.000000 0.750000 Pb\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Ni",
"Pb"
],
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"density": 10.074714925648452,
"density_atomic": 0.0370218118439057,
"volume": 486.19986714569853,
"volume_molar": 16.266466874692757,
"formula_full": "Tb10 Ni2 Pb6",
"formula_reduced": "Tb5NiPb3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.111269651111111,
"spacegroup": 193
},
{
"id": "jvasp-51596",
"created_at": "2022-09-04T14:37:40.449079Z",
"updated_at": "2022-09-04T14:37:40.449105Z",
"structure_string": "Tm10 Ni2 Pb6\n1.0\n4.494847 -7.785303 -0.000000\n4.494847 7.785303 0.000000\n-0.000000 0.000000 6.589840\nTm Ni Pb\n10 2 6\ndirect\n0.237748 0.237748 0.750000 Tm\n0.666667 0.333333 0.000000 Tm\n0.000000 0.237748 0.250000 Tm\n0.666667 0.333333 0.500000 Tm\n0.762252 0.000000 0.750000 Tm\n0.333333 0.666667 0.000000 Tm\n0.000000 0.762252 0.750000 Tm\n0.333333 0.666667 0.500000 Tm\n0.237748 0.000000 0.250000 Tm\n0.762253 0.762253 0.250000 Tm\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.600335 0.000000 0.250000 Pb\n0.000000 0.600335 0.250000 Pb\n0.000000 0.399665 0.750000 Pb\n0.600335 0.600335 0.750000 Pb\n0.399665 0.000000 0.750000 Pb\n0.399665 0.399665 0.250000 Pb\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Ni",
"Pb"
],
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"density": 10.981041016120455,
"density_atomic": 0.03902808176409446,
"volume": 461.2063720887216,
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"formula_full": "Tm10 Ni2 Pb6",
"formula_reduced": "Tm5NiPb3",
"formula_anonymous": "AB3C5",
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"spacegroup": 193
},
{
"id": "jvasp-39409",
"created_at": "2022-09-04T14:37:54.542175Z",
"updated_at": "2022-09-04T14:37:54.542200Z",
"structure_string": "Ni2 Pd6\n1.0\n2.716072 -4.704374 -0.000000\n2.716072 4.704374 0.000000\n-0.000000 0.000000 4.485119\nNi Pd\n2 6\ndirect\n0.666667 0.333333 0.750000 Ni\n0.333333 0.666667 0.250000 Ni\n0.831116 0.168883 0.250000 Pd\n0.831116 0.662234 0.250000 Pd\n0.337766 0.168883 0.250000 Pd\n0.168883 0.831116 0.750000 Pd\n0.168883 0.337766 0.750000 Pd\n0.662234 0.831116 0.750000 Pd\n",
"nsites": 8,
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"elements": [
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],
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"density": 10.951415693264728,
"density_atomic": 0.06979798763435326,
"volume": 114.6164849609869,
"volume_molar": 8.627957573143577,
"formula_full": "Ni2 Pd6",
"formula_reduced": "NiPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.5245098750000003,
"spacegroup": 194
},
{
"id": "jvasp-100359",
"created_at": "2022-09-04T14:36:33.421875Z",
"updated_at": "2022-09-04T14:36:33.421903Z",
"structure_string": "Ni1 Pd1\n1.0\n2.568026 -0.004026 3.710260\n1.155815 2.293222 3.710260\n-0.006550 -0.004026 4.512288\nNi Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500002 0.499998 0.500000 Pd\n",
"nsites": 2,
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"density": 10.279966164375395,
"density_atomic": 0.0749877396641336,
"volume": 26.671026609921853,
"volume_molar": 8.03083382293275,
"formula_full": "Ni1 Pd1",
"formula_reduced": "NiPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.9332940500000002,
"spacegroup": 166
},
{
"id": "jvasp-107967",
"created_at": "2022-09-04T14:37:50.804378Z",
"updated_at": "2022-09-04T14:37:50.804407Z",
"structure_string": "Pm2 Ni1 Pd1\n1.0\n4.316506 -0.000000 2.492136\n1.438835 4.069641 2.492136\n-0.000000 -0.000000 4.984272\nPm Ni Pd\n2 1 1\ndirect\n0.250001 0.250000 0.250000 Pm\n0.750002 0.750000 0.750000 Pm\n0.500001 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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],
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"density": 8.631346209122173,
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"volume": 87.55686101832453,
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"formula_full": "Pm2 Ni1 Pd1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-76915",
"created_at": "2022-09-04T14:38:05.788481Z",
"updated_at": "2022-09-04T14:38:05.788498Z",
"structure_string": "Sc2 Ni1 Pd1\n1.0\n-8.049831 -0.000000 -4.647572\n-9.202244 0.233492 6.643610\n-5.860761 9.684633 0.855991\nSc Ni Pd\n2 1 1\ndirect\n0.760778 0.000000 -0.000000 Sc\n0.239221 0.000000 -0.000000 Sc\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 -0.000000 Pd\n",
"nsites": 4,
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],
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"volume": 924.1580174046096,
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"formula_full": "Sc2 Ni1 Pd1",
"formula_reduced": "Sc2NiPd",
"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-99543",
"created_at": "2022-09-04T14:36:33.544555Z",
"updated_at": "2022-09-04T14:36:33.544580Z",
"structure_string": "Sc2 Ni1 Pd1\n1.0\n3.957271 -0.000000 2.284732\n1.319090 3.730951 2.284732\n-0.000000 -0.000000 4.569463\nSc Ni Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.749999 Sc\n0.500000 0.500000 0.499999 Ni\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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],
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"formula_full": "Sc2 Ni1 Pd1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-98282",
"created_at": "2022-09-04T14:36:15.180552Z",
"updated_at": "2022-09-04T14:36:15.180578Z",
"structure_string": "Ni8 Pd4 Se8\n1.0\n5.249131 0.000000 2.043494\n2.624566 7.516784 1.021747\n-0.102374 -0.000000 8.026449\nNi Pd Se\n8 4 8\ndirect\n0.096701 0.500000 0.806601 Ni\n0.403301 0.193399 0.500000 Ni\n0.596701 0.806600 0.500000 Ni\n0.903301 0.500000 0.193399 Ni\n0.903301 0.193399 0.500000 Ni\n0.096701 0.806600 0.500000 Ni\n0.403301 0.500000 0.193399 Ni\n0.596701 0.500000 0.806601 Ni\n0.000001 0.500000 0.500000 Pd\n0.500001 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 -0.000000 -0.000000 Pd\n0.500001 0.755693 0.244307 Se\n0.500001 0.244306 0.755693 Se\n0.831045 0.000000 0.337909 Se\n0.168955 0.000000 0.662090 Se\n0.255694 0.244306 0.244307 Se\n0.168955 0.662090 0.000000 Se\n0.831045 0.337909 -0.000000 Se\n0.744308 0.755693 0.755693 Se\n",
"nsites": 20,
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],
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"formula_full": "Ni8 Pd4 Se8",
"formula_reduced": "Ni2PdSe2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-100354",
"created_at": "2022-09-04T14:36:38.071170Z",
"updated_at": "2022-09-04T14:36:38.071190Z",
"structure_string": "Si4 Ni2 Pd2\n1.0\n3.412091 0.000000 0.000000\n0.000000 5.457503 0.000000\n0.000000 0.000000 5.945829\nSi Ni Pd\n4 2 2\ndirect\n0.500000 0.321774 0.692597 Si\n0.500000 0.821773 0.307403 Si\n0.000000 0.682551 0.848817 Si\n0.000000 0.182552 0.151183 Si\n0.500000 0.494579 0.053268 Ni\n0.500000 0.994579 0.946732 Ni\n0.000000 0.501095 0.434067 Pd\n0.000000 0.001095 0.565933 Pd\n",
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],
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"formula_full": "Si4 Ni2 Pd2",
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"formula_anonymous": "ABC2",
"energy_above_hull": 2.130548825,
"spacegroup": 26
}
]
}