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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1129",
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"results": [
{
"id": "jvasp-86228",
"created_at": "2022-09-04T14:36:14.089417Z",
"updated_at": "2022-09-04T14:36:14.089428Z",
"structure_string": "Si3 Pd6\n1.0\n7.809887 0.000000 0.000000\n-3.904943 6.763561 0.000000\n-0.000000 0.000000 2.765675\nSi Pd\n3 6\ndirect\n0.000000 0.000000 0.500001 Si\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n0.000000 0.253878 0.000000 Pd\n0.602124 -0.000000 0.000000 Pd\n0.746123 0.746122 0.000000 Pd\n0.000000 0.602124 0.000000 Pd\n0.397876 0.397876 0.000000 Pd\n0.253878 -0.000000 0.000000 Pd\n",
"nsites": 9,
"nelements": 2,
"elements": [
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"density": 8.21545868128865,
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"spacegroup": 189
},
{
"id": "jvasp-52894",
"created_at": "2022-09-04T14:36:05.179152Z",
"updated_at": "2022-09-04T14:36:05.179178Z",
"structure_string": "Si3 Pd6\n1.0\n3.271013 -5.665561 -0.000000\n3.271013 5.665561 -0.000000\n0.000000 -0.000000 3.532934\nSi Pd\n3 6\ndirect\n0.666666 0.333333 0.000000 Si\n0.333333 0.666666 0.000000 Si\n0.000000 0.000000 0.499999 Si\n0.266003 0.266003 0.000000 Pd\n-0.000000 0.733996 0.000000 Pd\n0.733996 -0.000000 0.000000 Pd\n0.606894 0.606894 0.499999 Pd\n-0.000000 0.393106 0.499999 Pd\n0.393106 -0.000000 0.499999 Pd\n",
"nsites": 9,
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{
"id": "jvasp-91657",
"created_at": "2022-09-04T14:35:51.046152Z",
"updated_at": "2022-09-04T14:35:51.046175Z",
"structure_string": "Si4 Pd4\n1.0\n-0.000000 -0.000000 4.675555\n-4.142089 4.142089 2.337777\n-4.142089 -4.142089 2.337777\nSi Pd\n4 4\ndirect\n0.387460 0.500000 0.725082 Si\n0.612542 0.500000 0.274918 Si\n0.112542 0.274918 0.500000 Si\n0.887460 0.725082 0.500000 Si\n0.178020 0.500000 0.143961 Pd\n0.821982 0.500000 0.856039 Pd\n0.321981 0.856039 0.500000 Pd\n0.678021 0.143961 0.500000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "Pd-Si",
"density": 5.568613985635201,
"density_atomic": 0.04986409815388778,
"volume": 160.43607116508653,
"volume_molar": 12.077107544219103,
"formula_full": "Si4 Pd4",
"formula_reduced": "SiPd",
"formula_anonymous": "AB",
"energy_above_hull": 1.4649621499999996,
"spacegroup": 140
},
{
"id": "jvasp-14688",
"created_at": "2022-09-04T14:36:48.969045Z",
"updated_at": "2022-09-04T14:36:48.969077Z",
"structure_string": "Si4 Pd4\n1.0\n3.502011 -0.000000 0.000000\n0.000000 5.664107 0.000000\n0.000000 0.000000 6.165921\nSi Pd\n4 4\ndirect\n0.250000 0.679742 0.075027 Si\n0.750000 0.320259 0.924973 Si\n0.250000 0.179742 0.424973 Si\n0.750000 0.820259 0.575027 Si\n0.250000 0.502331 0.691953 Pd\n0.750000 0.497670 0.308047 Pd\n0.250000 0.002330 0.808047 Pd\n0.750000 0.997670 0.191953 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "Pd-Si",
"density": 7.304697252896115,
"density_atomic": 0.06540983838033046,
"volume": 122.30576008280886,
"volume_molar": 9.206781287218304,
"formula_full": "Si4 Pd4",
"formula_reduced": "SiPd",
"formula_anonymous": "AB",
"energy_above_hull": 1.3702521499999996,
"spacegroup": 62
},
{
"id": "jvasp-88797",
"created_at": "2022-09-04T14:35:56.037196Z",
"updated_at": "2022-09-04T14:35:56.037222Z",
"structure_string": "Si4 Pb8 Se16\n1.0\n7.170023 0.000000 0.000000\n0.000000 8.102560 -2.692274\n0.000000 0.101883 13.914315\nSi Pb Se\n4 8 16\ndirect\n0.263070 0.442475 0.642706 Si\n0.763070 0.057524 0.857294 Si\n0.736930 0.557524 0.357294 Si\n0.236930 0.942475 0.142706 Si\n0.845994 0.683746 0.626502 Pb\n0.345995 0.816254 0.873499 Pb\n0.143758 0.809012 0.365133 Pb\n0.643757 0.690988 0.134867 Pb\n0.856242 0.190988 0.634867 Pb\n0.356242 0.309011 0.865133 Pb\n0.654005 0.183746 0.126501 Pb\n0.154005 0.316254 0.373499 Pb\n0.467272 0.515675 0.264323 Se\n0.529064 0.005351 0.737630 Se\n0.532728 0.484324 0.735678 Se\n0.032728 0.015675 0.764323 Se\n0.260836 0.671096 0.043114 Se\n0.760836 0.828904 0.456887 Se\n0.739164 0.328904 0.956887 Se\n0.239164 0.171096 0.543114 Se\n0.970935 0.505351 0.237630 Se\n0.470935 0.994649 0.262371 Se\n0.257794 0.126704 0.052438 Se\n0.757794 0.373296 0.447562 Se\n0.742206 0.873296 0.947562 Se\n0.242206 0.626703 0.552439 Se\n0.029065 0.494649 0.762371 Se\n0.967272 0.984324 0.235678 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Pb",
"Se"
],
"chemical_system": "Pb-Se-Si",
"density": 6.215910762799742,
"density_atomic": 0.034553978080231466,
"volume": 810.3263808001014,
"volume_molar": 17.428212595427045,
"formula_full": "Si4 Pb8 Se16",
"formula_reduced": "Si(PbSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4251662438095236,
"spacegroup": 14
},
{
"id": "jvasp-37207",
"created_at": "2022-09-04T14:38:06.058829Z",
"updated_at": "2022-09-04T14:38:06.058842Z",
"structure_string": "Si1 Pb1 O3\n1.0\n3.739414 0.000000 0.000000\n0.000000 3.739414 0.000000\n-0.000000 -0.000000 3.739414\nSi Pb O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Si\n0.000000 0.000000 0.000000 Pb\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
"nsites": 5,
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"elements": [
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"Pb",
"O"
],
"chemical_system": "O-Pb-Si",
"density": 8.996219320626272,
"density_atomic": 0.09562233738715857,
"volume": 52.289037651901886,
"volume_molar": 6.29783889889386,
"formula_full": "Si1 Pb1 O3",
"formula_reduced": "SiPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.869787984,
"spacegroup": 221
},
{
"id": "jvasp-116395",
"created_at": "2022-09-04T14:38:41.917867Z",
"updated_at": "2022-09-04T14:38:41.917893Z",
"structure_string": "Si1 Pb1 O3\n1.0\n3.737632 -0.000000 0.000000\n0.000000 3.737632 -0.000000\n-0.000000 0.000000 3.737632\nSi Pb O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Si\n0.000000 0.000000 0.000000 Pb\n0.000000 0.499999 0.499999 O\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n",
"nsites": 5,
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"elements": [
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"Pb",
"O"
],
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"density": 9.009092905271835,
"density_atomic": 0.09575917289666398,
"volume": 52.2143189916189,
"volume_molar": 6.288839573101406,
"formula_full": "Si1 Pb1 O3",
"formula_reduced": "SiPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.867239984,
"spacegroup": 221
},
{
"id": "jvasp-116393",
"created_at": "2022-09-04T14:38:42.839320Z",
"updated_at": "2022-09-04T14:38:42.839339Z",
"structure_string": "Si1 Pb1 O2\n1.0\n3.271465 -0.000000 0.000000\n0.000000 3.271465 0.000000\n0.000000 0.000000 5.437049\nSi Pb O\n1 1 2\ndirect\n0.500001 0.500001 0.541301 Si\n0.000000 0.000000 0.035713 Pb\n0.000000 0.000000 0.581091 O\n0.500001 0.500001 0.851895 O\n",
"nsites": 4,
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"elements": [
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"Pb",
"O"
],
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"density": 7.6273687532232834,
"density_atomic": 0.06874042100671056,
"volume": 58.189925831404395,
"volume_molar": 8.760698104266933,
"formula_full": "Si1 Pb1 O2",
"formula_reduced": "SiPbO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.759951605,
"spacegroup": 99
},
{
"id": "jvasp-116396",
"created_at": "2022-09-04T14:38:42.794755Z",
"updated_at": "2022-09-04T14:38:42.794770Z",
"structure_string": "Si1 Pb1 O1\n1.0\n4.622994 -0.000000 0.000000\n-2.311497 4.003631 -0.000000\n-0.000000 -0.000000 3.122495\nSi Pb O\n1 1 1\ndirect\n0.666665 0.333333 0.000000 Si\n0.333332 0.666667 0.000000 Pb\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
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"elements": [
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"O"
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"density": 7.219986156504673,
"density_atomic": 0.05190893635242095,
"volume": 57.79351708600527,
"volume_molar": 11.601356496912958,
"formula_full": "Si1 Pb1 O1",
"formula_reduced": "SiPbO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.860570973333333,
"spacegroup": 187
},
{
"id": "jvasp-112721",
"created_at": "2022-09-04T14:38:42.992258Z",
"updated_at": "2022-09-04T14:38:42.992274Z",
"structure_string": "Si4 Pb4 N8\n1.0\n5.638939 -0.000000 0.000000\n0.000000 7.553679 0.000000\n-0.000000 -0.000000 5.150066\nSi Pb N\n4 4 8\ndirect\n0.513512 0.373854 0.002844 Si\n0.486488 0.626146 0.502845 Si\n0.986488 0.873854 0.502845 Si\n0.013512 0.126146 0.002844 Si\n0.568971 0.873797 0.019601 Pb\n0.431029 0.126204 0.519602 Pb\n0.931029 0.373797 0.519602 Pb\n0.068971 0.626204 0.019601 Pb\n0.505970 0.421066 0.336385 N\n0.494030 0.578935 0.836386 N\n0.994030 0.921066 0.836386 N\n0.005970 0.078934 0.336385 N\n0.732353 0.756570 0.411169 N\n0.267647 0.243430 0.911170 N\n0.767647 0.256570 0.911170 N\n0.232353 0.743430 0.411169 N\n",
"nsites": 16,
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"elements": [
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"Pb",
"N"
],
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"density": 7.972406178717049,
"density_atomic": 0.07293756596889595,
"volume": 219.36569705140917,
"volume_molar": 8.256569409744394,
"formula_full": "Si4 Pb4 N8",
"formula_reduced": "SiPbN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2892814800000005,
"spacegroup": 33
},
{
"id": "jvasp-107010",
"created_at": "2022-09-04T14:36:52.783285Z",
"updated_at": "2022-09-04T14:36:52.783311Z",
"structure_string": "Si1 P1 Au1\n1.0\n3.367714 0.001495 5.131869\n1.534613 2.997743 5.131869\n0.002444 0.001495 6.138206\nSi P Au\n1 1 1\ndirect\n0.271929 0.271930 0.271930 Si\n0.998708 0.998715 0.998716 P\n0.136657 0.136658 0.136658 Au\n",
"nsites": 3,
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"elements": [
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],
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"density": 6.8678799711169916,
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"volume": 61.90278458886409,
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"formula_full": "Si1 P1 Au1",
"formula_reduced": "SiPAu",
"formula_anonymous": "ABC",
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"spacegroup": 160
},
{
"id": "jvasp-123618",
"created_at": "2022-09-04T14:38:52.242118Z",
"updated_at": "2022-09-04T14:38:52.242143Z",
"structure_string": "Si1 P3\n1.0\n3.280116 0.000000 -1.050334\n0.049084 4.116736 0.153286\n-0.035926 0.188632 5.534750\nSi P\n1 3\ndirect\n0.395047 0.942750 0.790100 Si\n0.611337 0.060408 0.222672 P\n0.102110 0.420283 0.204221 P\n0.891503 0.576561 0.783009 P\n",
"nsites": 4,
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"volume": 74.47787569804228,
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"formula_full": "Si1 P3",
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"formula_anonymous": "AB3",
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"spacegroup": 8
}
]
}