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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1539",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1537",
"results": [
{
"id": "jvasp-23395",
"created_at": "2022-09-04T14:37:42.987223Z",
"updated_at": "2022-09-04T14:37:42.987246Z",
"structure_string": "Pd8 S8\n1.0\n6.506951 0.000000 0.000000\n-0.000000 6.506951 0.000000\n0.000000 0.000000 6.675936\nPd S\n8 8\ndirect\n0.530780 0.741903 0.000000 Pd\n0.258097 0.530780 0.500000 Pd\n0.741903 0.469220 0.500000 Pd\n0.469220 0.258097 0.000000 Pd\n0.000000 0.000000 0.750000 Pd\n0.000000 0.000000 0.250000 Pd\n0.500000 -0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.193623 0.307519 0.771395 S\n0.692481 0.193623 0.271394 S\n0.307519 0.806377 0.271394 S\n0.806377 0.692481 0.771395 S\n0.806377 0.692481 0.228606 S\n0.307519 0.806377 0.728606 S\n0.692481 0.193623 0.728606 S\n0.193623 0.307519 0.228606 S\n",
"nsites": 16,
"nelements": 2,
"elements": [
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"S"
],
"chemical_system": "Pd-S",
"density": 6.508405187442574,
"density_atomic": 0.05660473289589219,
"volume": 282.6618761619688,
"volume_molar": 10.638935035831654,
"formula_full": "Pd8 S8",
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"formula_anonymous": "AB",
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"spacegroup": 84
},
{
"id": "jvasp-106759",
"created_at": "2022-09-04T14:36:59.993222Z",
"updated_at": "2022-09-04T14:36:59.993247Z",
"structure_string": "Pd1 Rh1 Pb4\n1.0\n5.497155 0.010051 -1.534139\n-3.165717 4.494113 -1.534139\n-0.005203 -0.010051 5.707212\nPd Rh Pb\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.499999 -0.000000 Rh\n0.913849 0.413848 0.827696 Pb\n0.586152 0.086151 0.172303 Pb\n0.086151 0.913848 0.499999 Pb\n0.413848 0.586151 0.500000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pd",
"Rh",
"Pb"
],
"chemical_system": "Pb-Pd-Rh",
"density": 12.225181815733666,
"density_atomic": 0.04255078932347735,
"volume": 141.00796002600842,
"volume_molar": 14.152829725951266,
"formula_full": "Pd1 Rh1 Pb4",
"formula_reduced": "PdRhPb4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0058619966666666,
"spacegroup": 97
},
{
"id": "jvasp-2832",
"created_at": "2022-09-04T14:36:58.474322Z",
"updated_at": "2022-09-04T14:36:58.474350Z",
"structure_string": "Pd1 Pt1 F6\n1.0\n4.509842 0.006694 3.339407\n1.686206 4.182755 3.339407\n0.009900 0.006694 5.611615\nPd Pt F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500001 0.499999 0.500000 Pt\n0.094033 0.434658 0.731641 F\n0.434660 0.731640 0.094033 F\n0.268360 0.905966 0.565341 F\n0.565342 0.268357 0.905968 F\n0.905969 0.565340 0.268359 F\n0.731642 0.094031 0.434659 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pd",
"Pt",
"F"
],
"chemical_system": "F-Pd-Pt",
"density": 6.534152844075586,
"density_atomic": 0.07576436432285226,
"volume": 105.59053813095898,
"volume_molar": 7.948513544359779,
"formula_full": "Pd1 Pt1 F6",
"formula_reduced": "PdPtF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3253948493749999,
"spacegroup": 148
},
{
"id": "jvasp-110184",
"created_at": "2022-09-04T14:38:27.662856Z",
"updated_at": "2022-09-04T14:38:27.662877Z",
"structure_string": "Pd1 Pt1 Au1\n1.0\n2.836683 0.000000 0.000000\n-1.418342 2.456640 0.000000\n-0.000000 -0.000000 7.007189\nPd Pt Au\n1 1 1\ndirect\n0.000000 0.000000 0.336522 Pd\n0.666666 0.333333 0.660242 Pt\n0.333333 0.666667 0.003236 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Pd",
"Pt",
"Au"
],
"chemical_system": "Au-Pd-Pt",
"density": 16.95088831754696,
"density_atomic": 0.0614363064776554,
"volume": 48.831060524302686,
"volume_molar": 9.802250664581004,
"formula_full": "Pd1 Pt1 Au1",
"formula_reduced": "PdPtAu",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3872382233333336,
"spacegroup": 156
},
{
"id": "jvasp-109070",
"created_at": "2022-09-04T14:37:49.608292Z",
"updated_at": "2022-09-04T14:37:49.608314Z",
"structure_string": "Pd1 Pt3\n1.0\n3.621311 -0.005836 -3.228468\n-0.731217 3.546724 -3.228468\n0.004763 0.005836 4.851482\nPd Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Pd\n0.749999 0.249999 0.499998 Pt\n0.249999 0.749999 0.499998 Pt\n0.499999 0.499999 -0.000002 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pd",
"Pt"
],
"chemical_system": "Pd-Pt",
"density": 18.39815952507666,
"density_atomic": 0.06407447832107428,
"volume": 62.4273518070047,
"volume_molar": 9.398657496395566,
"formula_full": "Pd1 Pt3",
"formula_reduced": "PdPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.371289975,
"spacegroup": 139
},
{
"id": "jvasp-100548",
"created_at": "2022-09-04T14:36:35.701889Z",
"updated_at": "2022-09-04T14:36:35.701915Z",
"structure_string": "Pd1 Pt1\n1.0\n2.671397 -0.000176 4.060780\n1.215807 2.378693 4.060780\n-0.000288 -0.000176 4.860688\nPd Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500002 0.499998 0.500001 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pd",
"Pt"
],
"chemical_system": "Pd-Pt",
"density": 16.206873289262937,
"density_atomic": 0.06474214090768554,
"volume": 30.891780407011222,
"volume_molar": 9.301732496901584,
"formula_full": "Pd1 Pt1",
"formula_reduced": "PdPt",
"formula_anonymous": "AB",
"energy_above_hull": 1.40794855,
"spacegroup": 166
},
{
"id": "jvasp-18205",
"created_at": "2022-09-04T14:38:15.833776Z",
"updated_at": "2022-09-04T14:38:15.833797Z",
"structure_string": "Pd2 Pb2 O4\n1.0\n4.322321 -0.000000 -1.845066\n-1.083417 4.778905 -2.538053\n0.003437 -0.002392 5.993399\nPd Pb O\n2 2 4\ndirect\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.500000 Pd\n0.778151 0.250000 -0.000001 Pb\n0.221847 0.749999 -0.000000 Pb\n0.650335 0.150335 0.300672 O\n0.349665 0.349664 0.699328 O\n0.650335 0.650335 0.300671 O\n0.349664 0.849664 0.699328 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pd",
"Pb",
"O"
],
"chemical_system": "O-Pb-Pd",
"density": 9.271721146228316,
"density_atomic": 0.06462103317221292,
"volume": 123.79870155712715,
"volume_molar": 9.319165083528137,
"formula_full": "Pd2 Pb2 O4",
"formula_reduced": "PdPbO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.44439838,
"spacegroup": 74
},
{
"id": "jvasp-12341",
"created_at": "2022-09-04T14:38:13.800732Z",
"updated_at": "2022-09-04T14:38:13.800758Z",
"structure_string": "Pd2 Pb2 F8\n1.0\n5.358743 0.000000 -2.554002\n-1.217249 5.218662 -2.554002\n-0.020795 -0.026203 6.855160\nPd Pb F\n2 2 8\ndirect\n0.500000 0.000000 0.000000 Pd\n-0.000000 0.500000 0.000000 Pd\n0.749999 0.750000 0.500000 Pb\n0.249999 0.250000 0.500000 Pb\n0.961613 0.461613 0.260875 F\n0.700737 0.200739 0.739125 F\n0.038386 0.538387 0.739125 F\n0.200738 0.038387 0.739125 F\n0.299261 0.799262 0.260875 F\n0.461613 0.299262 0.260875 F\n0.799261 0.961613 0.260875 F\n0.538386 0.700739 0.739125 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Pd",
"Pb",
"F"
],
"chemical_system": "F-Pb-Pd",
"density": 6.774877075142732,
"density_atomic": 0.06283034583791522,
"volume": 190.99051326180276,
"volume_molar": 9.584764622393525,
"formula_full": "Pd2 Pb2 F8",
"formula_reduced": "PdPbF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-12976",
"created_at": "2022-09-04T14:37:14.282951Z",
"updated_at": "2022-09-04T14:37:14.282961Z",
"structure_string": "Pd2 Pb4 Cl12\n1.0\n0.000000 8.169304 0.000694\n6.302469 0.000000 0.000000\n0.000000 -0.195385 -9.007700\nPd Pb Cl\n2 4 12\ndirect\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.379582 0.952985 0.721515 Pb\n0.120417 0.452985 0.278485 Pb\n0.620417 0.047016 0.278485 Pb\n0.879582 0.547016 0.721516 Pb\n0.028925 0.112535 0.754557 Cl\n0.471074 0.612535 0.245444 Cl\n0.971074 0.887465 0.245444 Cl\n0.528925 0.387465 0.754557 Cl\n0.349265 0.194713 0.049400 Cl\n0.827234 0.361831 0.436956 Cl\n0.672764 0.861831 0.563045 Cl\n0.650734 0.805287 0.950601 Cl\n0.327235 0.138169 0.436956 Cl\n0.172765 0.638170 0.563044 Cl\n0.150735 0.694713 0.950601 Cl\n0.849264 0.305287 0.049400 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Pd",
"Pb",
"Cl"
],
"chemical_system": "Cl-Pb-Pd",
"density": 5.252823651723351,
"density_atomic": 0.03881178491933657,
"volume": 463.77666055322675,
"volume_molar": 15.51626850585706,
"formula_full": "Pd2 Pb4 Cl12",
"formula_reduced": "Pd(PbCl3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.2537724161111111,
"spacegroup": 14
},
{
"id": "jvasp-12977",
"created_at": "2022-09-04T14:37:06.693854Z",
"updated_at": "2022-09-04T14:37:06.693884Z",
"structure_string": "Pd2 Pb4 Br12\n1.0\n0.000000 8.362248 0.009271\n6.711787 0.000000 0.000000\n0.000000 -0.131217 -9.543643\nPd Pb Br\n2 4 12\ndirect\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.383336 0.956922 0.722967 Pb\n0.116664 0.456922 0.277033 Pb\n0.616664 0.043078 0.277033 Pb\n0.883336 0.543078 0.722967 Pb\n0.026271 0.116217 0.754533 Br\n0.473729 0.616217 0.245467 Br\n0.973729 0.883783 0.245467 Br\n0.526271 0.383783 0.754533 Br\n0.345372 0.194720 0.053956 Br\n0.825984 0.352708 0.440561 Br\n0.674015 0.852708 0.559439 Br\n0.654627 0.805281 0.946044 Br\n0.325984 0.147292 0.440561 Br\n0.174015 0.647293 0.559439 Br\n0.154627 0.694720 0.946044 Br\n0.845372 0.305280 0.053956 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Pd",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Pd",
"density": 6.201778826853014,
"density_atomic": 0.033604986946727866,
"volume": 535.6347862456964,
"volume_molar": 17.920378215133866,
"formula_full": "Pd2 Pb4 Br12",
"formula_reduced": "Pd(PbBr3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.1347568855555556,
"spacegroup": 14
},
{
"id": "jvasp-102696",
"created_at": "2022-09-04T14:36:42.308010Z",
"updated_at": "2022-09-04T14:36:42.308019Z",
"structure_string": "Pd1 Pb4 Au1\n1.0\n5.711186 0.014636 -1.453007\n-3.449061 4.552125 -1.453007\n-0.007250 -0.014636 5.893117\nPd Pb Au\n1 4 1\ndirect\n0.500001 0.500001 -0.000000 Pd\n0.910471 0.410471 0.820942 Pb\n0.589530 0.089530 0.179059 Pb\n0.089530 0.910471 0.500000 Pb\n0.410471 0.589530 0.500000 Pb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Pb",
"Au"
],
"chemical_system": "Au-Pb-Pd",
"density": 12.266650725762545,
"density_atomic": 0.03914805176415759,
"volume": 153.26433193013614,
"volume_molar": 15.382989672844039,
"formula_full": "Pd1 Pb4 Au1",
"formula_reduced": "PdPb4Au",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.546554425,
"spacegroup": 97
},
{
"id": "jvasp-17770",
"created_at": "2022-09-04T14:37:26.931322Z",
"updated_at": "2022-09-04T14:37:26.931344Z",
"structure_string": "Pd2 Pb4\n1.0\n5.562806 -0.018050 -1.526225\n-3.238926 4.522665 -1.526225\n0.009312 0.018049 5.768370\nPd Pb\n2 4\ndirect\n0.750000 0.750001 -0.000001 Pd\n0.250000 0.250000 -0.000000 Pd\n0.837475 0.662526 0.499999 Pb\n0.337474 0.837475 0.174948 Pb\n0.162525 0.337475 0.500000 Pb\n0.662526 0.162526 0.825049 Pb\n",
"nsites": 6,
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"elements": [
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],
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"density": 11.921085652054893,
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"volume": 145.09449590567027,
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"formula_full": "Pd2 Pb4",
"formula_reduced": "PdPb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5760591133333333,
"spacegroup": 140
}
]
}