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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4373",
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"results": [
{
"id": "jvasp-18279",
"created_at": "2022-09-04T14:38:09.380158Z",
"updated_at": "2022-09-04T14:38:09.380188Z",
"structure_string": "Y1 Pd2 Pb1\n1.0\n4.218860 -0.000000 2.435760\n1.406287 3.977579 2.435760\n-0.000000 0.000000 4.871520\nY Pd Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n0.000000 0.000000 0.000000 Pb\n",
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"volume": 81.74824122789651,
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{
"id": "jvasp-110065",
"created_at": "2022-09-04T14:38:17.820758Z",
"updated_at": "2022-09-04T14:38:17.820778Z",
"structure_string": "Y3 Pd3 Pb3\n1.0\n7.843692 -0.000000 0.000000\n-3.921846 6.792836 0.000000\n-0.000000 -0.000000 3.866004\nY Pd Pb\n3 3 3\ndirect\n0.398034 0.000000 0.500000 Y\n-0.000000 0.398035 0.500000 Y\n0.601965 0.601966 0.500000 Y\n0.000000 0.000000 0.500000 Pd\n0.333333 0.666667 -0.000000 Pd\n0.666666 0.333334 -0.000000 Pd\n0.731550 0.000000 -0.000000 Pb\n-0.000000 0.731551 -0.000000 Pb\n0.268449 0.268450 -0.000000 Pb\n",
"nsites": 9,
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"density_atomic": 0.04369266642123592,
"volume": 205.98422429137298,
"volume_molar": 13.782955478022883,
"formula_full": "Y3 Pd3 Pb3",
"formula_reduced": "YPdPb",
"formula_anonymous": "ABC",
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{
"id": "jvasp-85349",
"created_at": "2022-09-04T14:35:42.870302Z",
"updated_at": "2022-09-04T14:35:42.870312Z",
"structure_string": "Y3 Pd3 Pb3\n1.0\n7.935609 0.000000 0.000000\n-3.967804 6.872438 0.000000\n-0.000000 -0.000000 3.927193\nY Pd Pb\n3 3 3\ndirect\n0.276078 0.276078 0.000000 Y\n0.723922 -0.000000 0.000000 Y\n0.000000 0.723923 0.000000 Y\n0.000000 0.000000 0.500000 Pd\n0.666667 0.333333 0.000000 Pd\n0.333333 0.666667 0.000000 Pd\n0.397750 -0.000000 0.500000 Pb\n0.602251 0.602250 0.500000 Pb\n0.000000 0.397750 0.500000 Pb\n",
"nsites": 9,
"nelements": 3,
"elements": [
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],
"chemical_system": "Pb-Pd-Y",
"density": 9.36247758902901,
"density_atomic": 0.04202126988090026,
"volume": 214.1772494146049,
"volume_molar": 14.33117270627087,
"formula_full": "Y3 Pd3 Pb3",
"formula_reduced": "YPdPb",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2236306566666668,
"spacegroup": 189
},
{
"id": "jvasp-39765",
"created_at": "2022-09-04T14:37:41.077478Z",
"updated_at": "2022-09-04T14:37:41.077517Z",
"structure_string": "Yb1 Pd2 Pb1\n1.0\n-0.000000 3.406405 3.406405\n3.406405 -0.000000 3.406405\n3.406405 3.406405 0.000000\nYb Pd Pb\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Yb\n0.000000 0.000000 0.000000 Pd\n0.499999 0.499999 0.499999 Pd\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Pd",
"Pb"
],
"chemical_system": "Pb-Pd-Yb",
"density": 12.457862581318352,
"density_atomic": 0.05059890878759184,
"volume": 79.05308821562775,
"volume_molar": 11.901720618680189,
"formula_full": "Yb1 Pd2 Pb1",
"formula_reduced": "YbPd2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5224332300000001,
"spacegroup": 225
},
{
"id": "jvasp-40296",
"created_at": "2022-09-04T14:37:55.421328Z",
"updated_at": "2022-09-04T14:37:55.421340Z",
"structure_string": "Pm3 Pb1\n1.0\n4.926652 -0.000000 -0.000000\n-0.000000 4.926652 -0.000000\n0.000000 0.000000 4.926652\nPm Pb\n3 1\ndirect\n0.500000 0.500000 0.000000 Pm\n0.000000 0.500000 0.500000 Pm\n0.500000 0.000000 0.500000 Pm\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Pb"
],
"chemical_system": "Pb-Pm",
"density": 8.917923434511952,
"density_atomic": 0.03345063234387599,
"volume": 119.57920432952007,
"volume_molar": 18.00307001102928,
"formula_full": "Pm3 Pb1",
"formula_reduced": "Pm3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 1.16209608625,
"spacegroup": 221
},
{
"id": "jvasp-40869",
"created_at": "2022-09-04T14:37:33.823980Z",
"updated_at": "2022-09-04T14:37:33.824008Z",
"structure_string": "Pm1 Rh2 Pb1\n1.0\n0.000000 3.415168 3.415168\n3.415168 0.000000 3.415168\n3.415168 3.415168 -0.000000\nPm Rh Pb\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Pm\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 Rh\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Rh",
"Pb"
],
"chemical_system": "Pb-Pm-Rh",
"density": 11.631230022444162,
"density_atomic": 0.0502104112150497,
"volume": 79.66475285111925,
"volume_molar": 11.993808882001286,
"formula_full": "Pm1 Rh2 Pb1",
"formula_reduced": "PmRh2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.78340699875,
"spacegroup": 225
},
{
"id": "jvasp-42001",
"created_at": "2022-09-04T14:37:34.514057Z",
"updated_at": "2022-09-04T14:37:34.514082Z",
"structure_string": "Pm2 Zn1 Pb1\n1.0\n-0.000004 3.780112 3.780112\n3.780111 -0.000002 3.780110\n3.780113 3.780112 -0.000004\nPm Zn Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500001 0.500001 0.500001 Pm\n0.750000 0.750000 0.750000 Zn\n0.249999 0.249999 0.249999 Pb\n",
"nsites": 4,
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"elements": [
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"Zn",
"Pb"
],
"chemical_system": "Pb-Pm-Zn",
"density": 8.647913054479373,
"density_atomic": 0.0370267448350906,
"volume": 108.03002040322923,
"volume_molar": 16.26429972934796,
"formula_full": "Pm2 Zn1 Pb1",
"formula_reduced": "Pm2ZnPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3504308924999999,
"spacegroup": 225
},
{
"id": "jvasp-18111",
"created_at": "2022-09-04T14:38:14.073485Z",
"updated_at": "2022-09-04T14:38:14.073511Z",
"structure_string": "Pr3 Pb1\n1.0\n5.009472 0.000000 0.000000\n0.000000 5.009472 0.000000\n-0.000000 0.000000 5.009472\nPr Pb\n3 1\ndirect\n0.500000 0.000000 0.500000 Pr\n0.000000 0.500000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Pb"
],
"chemical_system": "Pb-Pr",
"density": 8.320715410060025,
"density_atomic": 0.03181882447089698,
"volume": 125.71174663157629,
"volume_molar": 18.926345835020207,
"formula_full": "Pr3 Pb1",
"formula_reduced": "Pr3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 1.2373250925000003,
"spacegroup": 221
},
{
"id": "jvasp-17883",
"created_at": "2022-09-04T14:38:08.636551Z",
"updated_at": "2022-09-04T14:38:08.636566Z",
"structure_string": "Pr1 Pb3\n1.0\n4.936123 -0.000000 -0.000000\n0.000000 4.936123 -0.000000\n0.000000 0.000000 4.936123\nPr Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.500000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 10.527745640665431,
"density_atomic": 0.033258455127878735,
"volume": 120.2701684314561,
"volume_molar": 18.107097088078426,
"formula_full": "Pr1 Pb3",
"formula_reduced": "PrPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5089380775000001,
"spacegroup": 221
},
{
"id": "jvasp-53575",
"created_at": "2022-09-04T14:35:53.059848Z",
"updated_at": "2022-09-04T14:35:53.059868Z",
"structure_string": "Pr4 Pb2 S8\n1.0\n7.132198 -0.004808 -2.518669\n-3.570263 6.174259 -2.518668\n0.002775 0.004808 7.563856\nPr Pb S\n4 2 8\ndirect\n0.116373 0.750000 0.866373 Pr\n0.250001 0.616373 0.366373 Pr\n0.383628 0.250000 0.633628 Pr\n0.750001 0.883628 0.133628 Pr\n0.625000 0.375000 0.250000 Pb\n0.875001 0.125000 0.750001 Pb\n0.008694 0.855562 0.498384 S\n0.010310 0.357178 0.501617 S\n0.489691 0.991307 0.346868 S\n0.144439 0.142822 0.153132 S\n0.355562 0.508694 0.998385 S\n0.642823 0.644439 0.653133 S\n0.491308 0.989691 0.846869 S\n0.857178 0.510309 0.001616 S\n",
"nsites": 14,
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"elements": [
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"Pb",
"S"
],
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"density": 6.153901004651233,
"density_atomic": 0.04202624122518026,
"volume": 333.1251996814747,
"volume_molar": 14.329477451321058,
"formula_full": "Pr4 Pb2 S8",
"formula_reduced": "Pr2PbS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5754986457142857,
"spacegroup": 122
},
{
"id": "jvasp-53457",
"created_at": "2022-09-04T14:38:30.493022Z",
"updated_at": "2022-09-04T14:38:30.493039Z",
"structure_string": "Pr4 Pb2 Se8\n1.0\n7.415178 -0.002867 -2.619906\n-3.710073 6.420299 -2.619906\n0.001656 0.002867 7.864400\nPr Pb Se\n4 2 8\ndirect\n0.117052 0.750000 0.867051 Pr\n0.250001 0.617051 0.367051 Pr\n0.382950 0.250000 0.632949 Pr\n0.750001 0.882949 0.132948 Pr\n0.625000 0.375000 0.250000 Pb\n0.875001 0.125000 0.750000 Pb\n0.007168 0.855085 0.498563 Se\n0.008605 0.356521 0.501437 Se\n0.491396 0.992832 0.347916 Se\n0.144916 0.143479 0.152083 Se\n0.355085 0.507168 0.998563 Se\n0.643480 0.644916 0.652083 Se\n0.492834 0.991396 0.847916 Se\n0.856521 0.508604 0.001436 Se\n",
"nsites": 14,
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"elements": [
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"Pb",
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],
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"density": 7.138751254192067,
"density_atomic": 0.037389820807242555,
"volume": 374.43346070511643,
"volume_molar": 16.106364325858145,
"formula_full": "Pr4 Pb2 Se8",
"formula_reduced": "Pr2PbSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2747377123809525,
"spacegroup": 122
},
{
"id": "jvasp-119028",
"created_at": "2022-09-04T14:38:51.238832Z",
"updated_at": "2022-09-04T14:38:51.238861Z",
"structure_string": "Pr4 Zn10 Pb2\n1.0\n8.701868 -0.022627 0.000000\n-7.528570 4.363903 0.000000\n-0.000000 -0.000000 9.159704\nPr Zn Pb\n4 10 2\ndirect\n0.205237 0.794762 0.250000 Pr\n0.794762 0.205237 0.750000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.815040 0.184959 0.391137 Zn\n0.184959 0.815040 0.608862 Zn\n0.815040 0.184959 0.108862 Zn\n0.184959 0.815040 0.891137 Zn\n0.659083 0.340916 0.485688 Zn\n0.340916 0.659083 0.514311 Zn\n0.659083 0.340916 0.014311 Zn\n0.340916 0.659083 0.985688 Zn\n0.391688 0.608311 0.250000 Zn\n0.608311 0.391688 0.750000 Zn\n0.553730 0.446269 0.250000 Pb\n0.446269 0.553730 0.750000 Pb\n",
"nsites": 16,
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],
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"density": 7.826812310032864,
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"volume": 346.2712417708726,
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"formula_full": "Pr4 Zn10 Pb2",
"formula_reduced": "Pr2Zn5Pb",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 63
}
]
}