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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=249",
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"results": [
{
"id": "jvasp-15589",
"created_at": "2022-09-04T14:36:56.730878Z",
"updated_at": "2022-09-04T14:36:56.730893Z",
"structure_string": "Th1 Si2 Pd2\n1.0\n3.963159 0.000000 -1.541107\n-0.599272 3.917590 -1.541107\n-0.001651 -0.001923 5.862201\nTh Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.618448 0.618448 0.236895 Si\n0.381553 0.381553 0.763104 Si\n0.750000 0.250000 0.500000 Pd\n0.250001 0.750000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"chemical_system": "Pd-Si-Th",
"density": 9.14366399288286,
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"volume": 90.99323193205906,
"volume_molar": 10.959481018043729,
"formula_full": "Th1 Si2 Pd2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-15346",
"created_at": "2022-09-04T14:36:02.459215Z",
"updated_at": "2022-09-04T14:36:02.459237Z",
"structure_string": "Tb1 Si2 Pd2\n1.0\n3.905173 0.000000 -1.482690\n-0.562937 3.864386 -1.482690\n-0.037244 -0.043062 5.786059\nTb Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.382741 0.382741 0.765482 Si\n0.617259 0.617260 0.234518 Si\n0.750000 0.250001 0.500000 Pd\n0.250000 0.750001 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Si",
"Pd"
],
"chemical_system": "Pd-Si-Tb",
"density": 8.184874279013316,
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"volume": 86.81929654255778,
"volume_molar": 10.456760489269286,
"formula_full": "Tb1 Si2 Pd2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-92397",
"created_at": "2022-09-04T14:36:02.511172Z",
"updated_at": "2022-09-04T14:36:02.511198Z",
"structure_string": "Sr1 Si2 Pd2\n1.0\n4.040174 -0.000000 -1.615993\n-0.646368 3.988134 -1.615993\n0.002617 0.003075 5.864992\nSr Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.373508 0.373508 0.747016 Si\n0.626492 0.626492 0.252984 Si\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-Sr",
"density": 6.2639236752807435,
"density_atomic": 0.05288691966692908,
"volume": 94.5413352013876,
"volume_molar": 11.386824564421982,
"formula_full": "Sr1 Si2 Pd2",
"formula_reduced": "Sr(SiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.777064982,
"spacegroup": 139
},
{
"id": "jvasp-87119",
"created_at": "2022-09-04T14:35:53.583628Z",
"updated_at": "2022-09-04T14:35:53.583655Z",
"structure_string": "Sr4 Si4 Pd4\n1.0\n6.552286 0.000000 -0.000000\n0.000000 6.552286 0.000000\n-0.000000 0.000000 6.552286\nSr Si Pd\n4 4 4\ndirect\n0.628878 0.371122 0.871123 Sr\n0.371122 0.871123 0.628878 Sr\n0.128878 0.128878 0.128878 Sr\n0.871123 0.628878 0.371122 Sr\n0.164510 0.335491 0.664510 Si\n0.664510 0.164510 0.335491 Si\n0.335491 0.664510 0.164510 Si\n0.835491 0.835491 0.835491 Si\n0.588355 0.911646 0.088355 Pd\n0.088355 0.588355 0.911646 Pd\n0.411646 0.411646 0.411646 Pd\n0.911646 0.088355 0.588355 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-Sr",
"density": 5.244800463651866,
"density_atomic": 0.04265821798191546,
"volume": 281.3057030438375,
"volume_molar": 14.117187836006252,
"formula_full": "Sr4 Si4 Pd4",
"formula_reduced": "SrSiPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.991760203333333,
"spacegroup": 198
},
{
"id": "jvasp-94876",
"created_at": "2022-09-04T14:36:12.369195Z",
"updated_at": "2022-09-04T14:36:12.369222Z",
"structure_string": "Si1 Sn1 Pd5\n1.0\n4.006535 -0.000000 0.000000\n0.000000 4.006535 -0.000000\n-0.000000 -0.000000 7.022284\nSi Sn Pd\n1 1 5\ndirect\n0.000000 0.000000 0.500000 Si\n0.499999 0.499999 0.000000 Sn\n0.000000 0.000000 0.000000 Pd\n0.499999 0.000000 0.704384 Pd\n0.000000 0.499999 0.704384 Pd\n0.499999 0.000000 0.295615 Pd\n0.000000 0.499999 0.295615 Pd\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Si",
"Sn",
"Pd"
],
"chemical_system": "Pd-Si-Sn",
"density": 10.000823346287737,
"density_atomic": 0.06209859418664041,
"volume": 112.72396890276053,
"volume_molar": 9.697708682261238,
"formula_full": "Si1 Sn1 Pd5",
"formula_reduced": "SiSnPd5",
"formula_anonymous": "ABC5",
"energy_above_hull": 1.856174114285714,
"spacegroup": 123
},
{
"id": "jvasp-104696",
"created_at": "2022-09-04T14:36:55.821086Z",
"updated_at": "2022-09-04T14:36:55.821106Z",
"structure_string": "Sm2 Si3 Pd1\n1.0\n4.073342 -0.003469 -6.606628\n-0.293155 3.850258 -6.732699\n0.001629 0.003469 7.761420\nSm Si Pd\n2 3 1\ndirect\n0.130196 0.130196 0.000000 Sm\n0.370083 0.870083 0.500001 Sm\n0.704071 0.704071 0.000000 Si\n0.540416 0.540416 0.000000 Si\n0.794887 0.294887 0.500000 Si\n0.960349 0.460349 0.500000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-Sm",
"density": 6.696013474000681,
"density_atomic": 0.049236413794429466,
"volume": 121.8610279995419,
"volume_molar": 12.231071062859044,
"formula_full": "Sm2 Si3 Pd1",
"formula_reduced": "Sm2Si3Pd",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.471341541666667,
"spacegroup": 44
},
{
"id": "jvasp-15349",
"created_at": "2022-09-04T14:36:07.125965Z",
"updated_at": "2022-09-04T14:36:07.125992Z",
"structure_string": "Sm1 Si2 Pd2\n1.0\n3.930680 0.000000 -1.529589\n-0.595225 3.885351 -1.529589\n-0.003638 -0.004238 5.805905\nSm Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.618567 0.618568 0.237136 Si\n0.381431 0.381431 0.762864 Si\n0.749999 0.250000 0.500000 Pd\n0.249999 0.749999 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-Sm",
"density": 7.858312379990466,
"density_atomic": 0.05642243181420188,
"volume": 88.61723678385427,
"volume_molar": 10.673309473492404,
"formula_full": "Sm1 Si2 Pd2",
"formula_reduced": "Sm(SiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.190705495,
"spacegroup": 139
},
{
"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,
"nelements": 2,
"elements": [
"Si",
"Pd"
],
"chemical_system": "Pd-Si",
"density": 9.165631890683262,
"density_atomic": 0.06873086338197619,
"volume": 130.94553970582214,
"volume_molar": 8.761916355584777,
"formula_full": "Si3 Pd6",
"formula_reduced": "SiPd2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7091833333333335,
"spacegroup": 189
},
{
"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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"Pd"
],
"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-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,
"density_atomic": 0.06160574360594658,
"volume": 146.09027459464448,
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"formula_full": "Si3 Pd6",
"formula_reduced": "SiPd2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.85507,
"spacegroup": 189
},
{
"id": "jvasp-86830",
"created_at": "2022-09-04T14:36:14.275014Z",
"updated_at": "2022-09-04T14:36:14.275039Z",
"structure_string": "Si3 Pd6\n1.0\n7.809656 0.000000 -0.000000\n-3.904828 6.763361 -0.000000\n-0.000000 -0.000000 2.765870\nSi Pd\n3 6\ndirect\n0.000000 0.000000 0.500000 Si\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n-0.000000 0.253877 0.000000 Pd\n0.602113 -0.000000 0.000000 Pd\n0.746123 0.746122 0.000000 Pd\n-0.000000 0.602113 0.000000 Pd\n0.397887 0.397887 0.000000 Pd\n0.253878 -0.000000 0.000000 Pd\n",
"nsites": 9,
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"elements": [
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],
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"density": 8.215365389328708,
"density_atomic": 0.06160504403203506,
"volume": 146.09193356504926,
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"formula_full": "Si3 Pd6",
"formula_reduced": "SiPd2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.85507,
"spacegroup": 189
},
{
"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,
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],
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"density": 5.568613985635201,
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"volume": 160.43607116508653,
"volume_molar": 12.077107544219103,
"formula_full": "Si4 Pd4",
"formula_reduced": "SiPd",
"formula_anonymous": "AB",
"energy_above_hull": 1.4649621499999996,
"spacegroup": 140
}
]
}