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"results": [
{
"id": "jvasp-23691",
"created_at": "2022-09-04T14:38:36.002289Z",
"updated_at": "2022-09-04T14:38:36.002318Z",
"structure_string": "Nb6 Pb2 S12\n1.0\n2.930892 -5.076454 0.000000\n2.930892 5.076454 0.000000\n-0.000000 -0.000000 14.905010\nNb Pb S\n6 2 12\ndirect\n0.000000 0.000000 0.750000 Nb\n0.000000 0.000000 0.250000 Nb\n0.333333 0.666666 0.250000 Nb\n0.666666 0.333333 0.750000 Nb\n0.666666 0.333333 0.250000 Nb\n0.333333 0.666666 0.750000 Nb\n0.000000 0.000000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.662824 0.144848 S\n0.337175 0.000000 0.644848 S\n0.000000 0.337175 0.644848 S\n0.000000 0.337175 0.855152 S\n0.662824 0.662824 0.855152 S\n0.000000 0.662824 0.355152 S\n0.337175 0.000000 0.855152 S\n0.662824 0.000000 0.355152 S\n0.337175 0.337175 0.144848 S\n0.337175 0.337175 0.355152 S\n0.662824 0.000000 0.144848 S\n0.662824 0.662824 0.644848 S\n",
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{
"id": "jvasp-101138",
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"structure_string": "Nb4 Pd1\n1.0\n11.599806 0.013593 1.782042\n11.280268 2.706201 1.031432\n-0.000535 0.004506 2.813474\nNb Pd\n4 1\ndirect\n0.404660 0.404660 0.595339 Nb\n0.802292 0.802290 0.197707 Nb\n0.197709 0.197710 0.802289 Nb\n0.595341 0.595340 0.404658 Nb\n0.000000 0.000000 0.000000 Pd\n",
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"density": 9.028120240714003,
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"volume": 87.92674891427139,
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"formula_anonymous": "AB4",
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"spacegroup": 69
},
{
"id": "jvasp-100815",
"created_at": "2022-09-04T14:36:43.936670Z",
"updated_at": "2022-09-04T14:36:43.936681Z",
"structure_string": "Nb3 Pd1\n1.0\n2.811593 0.004279 0.000000\n-0.706412 2.721406 0.000000\n0.000000 0.000000 9.108538\nNb Pd\n3 1\ndirect\n0.500000 0.500001 0.759535 Nb\n0.000000 0.000000 0.500000 Nb\n0.500000 0.500001 0.240465 Nb\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Nb-Pd",
"density": 9.172775253414699,
"density_atomic": 0.05737120746024168,
"volume": 69.72138424613087,
"volume_molar": 10.496799747806163,
"formula_full": "Nb3 Pd1",
"formula_reduced": "Nb3Pd",
"formula_anonymous": "AB3",
"energy_above_hull": 4.488050975,
"spacegroup": 65
},
{
"id": "jvasp-105433",
"created_at": "2022-09-04T14:36:49.164143Z",
"updated_at": "2022-09-04T14:36:49.164166Z",
"structure_string": "Nb2 Pd1\n1.0\n6.708160 0.001403 1.639833\n6.127705 2.719955 1.178032\n0.003942 -0.018464 2.817864\nNb Pd\n2 1\ndirect\n0.337259 0.337262 0.662738 Nb\n0.662738 0.662740 0.337260 Nb\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Nb-Pd",
"density": 9.45325066547362,
"density_atomic": 0.058441914075669545,
"volume": 51.33302095676835,
"volume_molar": 10.304489261256297,
"formula_full": "Nb2 Pd1",
"formula_reduced": "Nb2Pd",
"formula_anonymous": "AB2",
"energy_above_hull": 3.6629115000000008,
"spacegroup": 69
},
{
"id": "jvasp-35784",
"created_at": "2022-09-04T14:37:27.476126Z",
"updated_at": "2022-09-04T14:37:27.476137Z",
"structure_string": "Nb1 Pd2\n1.0\n-2.849586 -0.000000 0.000000\n0.000000 -0.000000 -3.965631\n1.424793 -4.232488 1.982816\nNb Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.666322 0.666320 0.332643 Pd\n0.333680 0.333678 0.667357 Pd\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Nb-Pd",
"density": 10.615015103683765,
"density_atomic": 0.06272366836788136,
"volume": 47.828835239748145,
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"formula_full": "Nb1 Pd2",
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"formula_anonymous": "AB2",
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"spacegroup": 71
},
{
"id": "jvasp-104710",
"created_at": "2022-09-04T14:36:59.157272Z",
"updated_at": "2022-09-04T14:36:59.157283Z",
"structure_string": "Nb1 Pd4\n1.0\n2.803381 0.000101 11.223322\n1.380570 2.439871 11.223322\n0.000173 0.000101 11.568143\nNb Pd\n1 4\ndirect\n0.000000 0.000000 0.000000 Nb\n0.600454 0.600454 0.600456 Pd\n0.199865 0.199865 0.199866 Pd\n0.800134 0.800134 0.800136 Pd\n0.399545 0.399545 0.399546 Pd\n",
"nsites": 5,
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"density": 10.884319300490098,
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"volume": 79.11683952141111,
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"formula_full": "Nb1 Pd4",
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"formula_anonymous": "AB4",
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"spacegroup": 166
},
{
"id": "jvasp-20093",
"created_at": "2022-09-04T14:36:03.156697Z",
"updated_at": "2022-09-04T14:36:03.156721Z",
"structure_string": "Nb1 Pd3\n1.0\n3.600353 0.000000 -1.590011\n-0.702191 3.531214 -1.590011\n0.015265 0.018599 4.905814\nNb Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.499999 -0.000000 Pd\n0.249999 0.749999 0.499999 Pd\n0.749999 0.250000 0.499999 Pd\n",
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"elements": [
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"volume": 62.58358526894712,
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"formula_full": "Nb1 Pd3",
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"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-100361",
"created_at": "2022-09-04T14:36:32.130806Z",
"updated_at": "2022-09-04T14:36:32.130831Z",
"structure_string": "Nb1 Pd1\n1.0\n2.747824 0.005454 4.161257\n1.254001 2.445004 4.161257\n0.008907 0.005454 4.986634\nNb Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500001 0.499997 0.500002 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"chemical_system": "Nb-Pd",
"density": 9.92650784085512,
"density_atomic": 0.059980848991018146,
"volume": 33.3439761797885,
"volume_molar": 10.04010590263867,
"formula_full": "Nb1 Pd1",
"formula_reduced": "NbPd",
"formula_anonymous": "AB",
"energy_above_hull": 2.31592755,
"spacegroup": 166
},
{
"id": "jvasp-110194",
"created_at": "2022-09-04T14:38:18.428933Z",
"updated_at": "2022-09-04T14:38:18.428956Z",
"structure_string": "Nb6 Pd1 Pt1\n1.0\n5.204035 0.000000 0.000000\n0.000000 5.204035 0.000000\n-0.000000 -0.000000 5.204035\nNb Pd Pt\n6 1 1\ndirect\n-0.000000 0.500000 0.750761 Nb\n0.500000 0.249240 -0.000000 Nb\n0.750761 0.000000 0.500000 Nb\n-0.000000 0.500000 0.249240 Nb\n0.500000 0.750761 -0.000000 Nb\n0.249240 0.000000 0.500000 Nb\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 8,
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"elements": [
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"Pt"
],
"chemical_system": "Nb-Pd-Pt",
"density": 10.120278216316766,
"density_atomic": 0.05676352545606007,
"volume": 140.93557325280474,
"volume_molar": 10.609173252746016,
"formula_full": "Nb6 Pd1 Pt1",
"formula_reduced": "Nb6PdPt",
"formula_anonymous": "ABC6",
"energy_above_hull": 5.3899916875,
"spacegroup": 200
},
{
"id": "jvasp-99945",
"created_at": "2022-09-04T14:36:18.214261Z",
"updated_at": "2022-09-04T14:36:18.214287Z",
"structure_string": "Nb6 Pd1 Rh1\n1.0\n5.192887 -0.000000 0.000000\n-0.000000 5.192887 -0.000000\n-0.000000 0.000000 5.192887\nNb Pd Rh\n6 1 1\ndirect\n0.000000 0.500000 0.751732 Nb\n0.500000 0.248269 0.000000 Nb\n0.751732 0.000000 0.500000 Nb\n0.000000 0.500000 0.248269 Nb\n0.500000 0.751732 0.000000 Nb\n0.248269 0.000000 0.500000 Nb\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 8,
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"elements": [
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],
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"density": 9.092515928163198,
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"formula_full": "Nb6 Pd1 Rh1",
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"formula_anonymous": "ABC6",
"energy_above_hull": 5.4390493875,
"spacegroup": 200
},
{
"id": "jvasp-98503",
"created_at": "2022-09-04T14:38:18.084073Z",
"updated_at": "2022-09-04T14:38:18.084091Z",
"structure_string": "Nb4 Pd6 Se16\n1.0\n3.606989 0.000000 0.000000\n0.000000 10.770274 0.000000\n0.000000 -0.000000 15.330467\nNb Pd Se\n4 6 16\ndirect\n0.500000 0.786288 0.883615 Nb\n0.500000 0.213712 0.116385 Nb\n0.500000 0.286288 0.616386 Nb\n0.500000 0.713712 0.383615 Nb\n0.000000 0.878787 0.283628 Pd\n0.000000 0.378787 0.216373 Pd\n0.000000 0.121213 0.716373 Pd\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.621212 0.783628 Pd\n0.500000 0.751372 0.716466 Se\n0.500000 0.455213 0.116291 Se\n0.500000 0.544786 0.883709 Se\n0.500000 0.748628 0.216466 Se\n0.500000 0.251372 0.783534 Se\n0.500000 0.248628 0.283534 Se\n0.000000 0.543304 0.342677 Se\n0.000000 0.268779 0.490336 Se\n0.000000 0.043304 0.157323 Se\n0.000000 0.956696 0.842677 Se\n0.000000 0.731220 0.509664 Se\n0.500000 0.044786 0.616292 Se\n0.000000 0.231220 0.990336 Se\n0.000000 0.768779 0.009664 Se\n0.000000 0.456696 0.657323 Se\n0.500000 0.955213 0.383709 Se\n",
"nsites": 26,
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],
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"volume": 595.561965560983,
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"formula_full": "Nb4 Pd6 Se16",
"formula_reduced": "Nb2Pd3Se8",
"formula_anonymous": "A2B3C8",
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},
{
"id": "jvasp-23841",
"created_at": "2022-09-04T14:37:39.295194Z",
"updated_at": "2022-09-04T14:37:39.295204Z",
"structure_string": "Nb4 Si4 Pd4\n1.0\n3.792806 -0.000000 0.000000\n-0.000000 6.512756 0.000000\n0.000000 0.000000 7.513046\nNb Si Pd\n4 4 4\ndirect\n0.750001 0.527404 0.836719 Nb\n0.250000 0.972597 0.336719 Nb\n0.750001 0.027403 0.663282 Nb\n0.250000 0.472597 0.163282 Nb\n0.250000 0.231046 0.869839 Si\n0.250000 0.731047 0.630162 Si\n0.750001 0.768954 0.130162 Si\n0.750001 0.268954 0.369839 Si\n0.250000 0.851646 0.937042 Pd\n0.250000 0.351646 0.562959 Pd\n0.750001 0.648355 0.437042 Pd\n0.750001 0.148354 0.062959 Pd\n",
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"formula_full": "Nb4 Si4 Pd4",
"formula_reduced": "NbSiPd",
"formula_anonymous": "ABC",
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"spacegroup": 62
}
]
}