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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4397",
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"results": [
{
"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": [
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],
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"density": 9.165631890683262,
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"volume": 130.94553970582214,
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"formula_full": "Si3 Pd6",
"formula_reduced": "SiPd2",
"formula_anonymous": "AB2",
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"spacegroup": 189
},
{
"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": [
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"Si",
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],
"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",
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"spacegroup": 139
},
{
"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": [
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"Si",
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],
"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-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-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-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-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": [
"Tb",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-Tb",
"density": 8.184874279013316,
"density_atomic": 0.05759088358368649,
"volume": 86.81929654255778,
"volume_molar": 10.456760489269286,
"formula_full": "Tb1 Si2 Pd2",
"formula_reduced": "Tb(SiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.1706774,
"spacegroup": 139
},
{
"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": [
"Th",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-Th",
"density": 9.14366399288286,
"density_atomic": 0.05494914175301847,
"volume": 90.99323193205906,
"volume_molar": 10.959481018043729,
"formula_full": "Th1 Si2 Pd2",
"formula_reduced": "Th(SiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.58571484,
"spacegroup": 139
},
{
"id": "jvasp-40774",
"created_at": "2022-09-04T14:37:46.461721Z",
"updated_at": "2022-09-04T14:37:46.461749Z",
"structure_string": "Ti1 Si1 Pd1\n1.0\n3.600792 -0.000000 2.078919\n1.200264 3.394860 2.078919\n-0.000000 -0.000000 4.157836\nTi Si Pd\n1 1 1\ndirect\n0.499999 0.500000 0.500001 Ti\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250001 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-Ti",
"density": 5.958283858247206,
"density_atomic": 0.0590247281165754,
"volume": 50.82615533738539,
"volume_molar": 10.202742057712005,
"formula_full": "Ti1 Si1 Pd1",
"formula_reduced": "TiSiPd",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3452808777777783,
"spacegroup": 216
},
{
"id": "jvasp-54989",
"created_at": "2022-09-04T14:37:12.263232Z",
"updated_at": "2022-09-04T14:37:12.263267Z",
"structure_string": "Tm1 Si2 Pd2\n1.0\n3.865444 -0.000000 -1.480703\n-0.567201 3.823603 -1.480703\n-0.007126 -0.008261 5.767207\nTm Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.384009 0.384010 0.768020 Si\n0.615989 0.615990 0.231981 Si\n0.749999 0.250000 0.500000 Pd\n0.249999 0.750000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tm",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-Tm",
"density": 8.541088831368562,
"density_atomic": 0.058723828951046685,
"volume": 85.14431176087132,
"volume_molar": 10.255020606745811,
"formula_full": "Tm1 Si2 Pd2",
"formula_reduced": "Tm(SiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.16046257,
"spacegroup": 139
},
{
"id": "jvasp-119017",
"created_at": "2022-09-04T14:38:49.919510Z",
"updated_at": "2022-09-04T14:38:49.919530Z",
"structure_string": "Tm4 Si4 Pd8\n1.0\n5.493869 0.000000 0.000000\n0.000000 6.979837 0.000000\n-0.000000 0.000000 7.240334\nTm Si Pd\n4 4 8\ndirect\n0.358675 0.750000 0.026999 Tm\n0.141325 0.750000 0.526999 Tm\n0.641325 0.250000 0.973000 Tm\n0.858675 0.250000 0.473000 Tm\n0.641426 0.750000 0.379504 Si\n0.858575 0.750000 0.879504 Si\n0.358575 0.250000 0.620496 Si\n0.141426 0.250000 0.120496 Si\n0.908099 0.550650 0.181105 Pd\n0.591901 0.949351 0.681105 Pd\n0.091901 0.050649 0.818894 Pd\n0.408099 0.449351 0.318894 Pd\n0.091901 0.449351 0.818894 Pd\n0.408099 0.050649 0.318894 Pd\n0.908099 0.949351 0.181105 Pd\n0.591901 0.550650 0.681105 Pd\n",
"nsites": 16,
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"elements": [
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"Si",
"Pd"
],
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"density": 9.805328230426483,
"density_atomic": 0.05762856448811335,
"volume": 277.64009293169556,
"volume_molar": 10.449923251588448,
"formula_full": "Tm4 Si4 Pd8",
"formula_reduced": "TmSiPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7094810625,
"spacegroup": 62
},
{
"id": "jvasp-15447",
"created_at": "2022-09-04T14:35:48.689715Z",
"updated_at": "2022-09-04T14:35:48.689741Z",
"structure_string": "U1 Si2 Pd2\n1.0\n3.819597 0.000000 -1.442386\n-0.544685 3.780561 -1.442386\n0.049259 0.056865 5.908996\nU Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.612479 0.612478 0.224956 Si\n0.387523 0.387523 0.775044 Si\n0.750001 0.250001 0.500000 Pd\n0.250001 0.750000 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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"Si",
"Pd"
],
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"density": 9.795492886128677,
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"volume": 85.95377370674633,
"volume_molar": 10.352514482304269,
"formula_full": "U1 Si2 Pd2",
"formula_reduced": "U(SiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.2041789199999995,
"spacegroup": 139
}
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}