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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=248",
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"results": [
{
"id": "jvasp-37286",
"created_at": "2022-09-04T14:38:03.798693Z",
"updated_at": "2022-09-04T14:38:03.798721Z",
"structure_string": "Sm3 Pd1\n1.0\n4.738208 0.000000 0.000000\n-0.000000 4.738208 0.000000\n-0.000000 0.000000 4.738208\nSm Pd\n3 1\ndirect\n0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"volume": 106.3756838408195,
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{
"id": "jvasp-14674",
"created_at": "2022-09-04T14:36:34.849539Z",
"updated_at": "2022-09-04T14:36:34.849580Z",
"structure_string": "Sm1 Pd3\n1.0\n4.160017 0.000000 -0.000000\n0.000000 4.160017 0.000000\n-0.000000 -0.000000 4.160017\nSm Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
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{
"id": "jvasp-112316",
"created_at": "2022-09-04T14:38:27.030979Z",
"updated_at": "2022-09-04T14:38:27.031003Z",
"structure_string": "Zr2 Si6 Pd6\n1.0\n8.112462 -0.019595 0.000000\n-7.204355 3.729570 0.000000\n0.000000 -0.000000 7.184810\nZr Si Pd\n2 6 6\ndirect\n0.991482 0.008520 0.250000 Zr\n0.008520 0.991481 0.750000 Zr\n0.573339 0.426662 0.030519 Si\n0.426662 0.573339 0.969480 Si\n0.426662 0.573339 0.530519 Si\n0.573339 0.426662 0.469481 Si\n0.739877 0.260125 0.250000 Si\n0.260125 0.739876 0.750000 Si\n0.342595 0.657406 0.250000 Pd\n0.657407 0.342595 0.750000 Pd\n0.823627 0.176375 0.554275 Pd\n0.176375 0.823626 0.445725 Pd\n0.176375 0.823626 0.054275 Pd\n0.823627 0.176375 0.945725 Pd\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Si",
"Pd"
],
"chemical_system": "Pd-Si-Zr",
"density": 7.593830812213514,
"density_atomic": 0.06470418866497694,
"volume": 216.3692998684939,
"volume_molar": 9.307188428219426,
"formula_full": "Zr2 Si6 Pd6",
"formula_reduced": "Zr(SiPd)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.954112485714286,
"spacegroup": 63
},
{
"id": "jvasp-40776",
"created_at": "2022-09-04T14:37:45.098548Z",
"updated_at": "2022-09-04T14:37:45.098574Z",
"structure_string": "Zr1 Si1 Pd1\n1.0\n3.742113 -0.000000 2.160510\n1.247371 3.528099 2.160510\n0.000000 0.000000 4.321020\nZr Si Pd\n1 1 1\ndirect\n0.499999 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Pd"
],
"chemical_system": "Pd-Si-Zr",
"density": 6.570425264929048,
"density_atomic": 0.05258686943284358,
"volume": 57.048461571403685,
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"formula_full": "Zr1 Si1 Pd1",
"formula_reduced": "ZrSiPd",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4454762666666667,
"spacegroup": 216
},
{
"id": "jvasp-15422",
"created_at": "2022-09-04T14:36:58.927727Z",
"updated_at": "2022-09-04T14:36:58.927742Z",
"structure_string": "Yb1 Si2 Pd2\n1.0\n3.961538 0.000000 -1.518658\n-0.582178 3.918528 -1.518658\n-0.078005 -0.090451 5.722838\nYb Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.621516 0.621517 0.243032 Si\n0.378483 0.378484 0.756968 Si\n0.750000 0.250000 0.500000 Pd\n0.249999 0.750001 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Si",
"Pd"
],
"chemical_system": "Pd-Si-Yb",
"density": 8.36520519155787,
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"volume": 87.74954566211832,
"volume_molar": 10.568802312066477,
"formula_full": "Yb1 Si2 Pd2",
"formula_reduced": "Yb(SiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7152658599999997,
"spacegroup": 139
},
{
"id": "jvasp-101446",
"created_at": "2022-09-04T14:36:33.148244Z",
"updated_at": "2022-09-04T14:36:33.148266Z",
"structure_string": "Y2 Si2 Pd2\n1.0\n4.394152 -0.010421 3.521020\n2.334634 3.722655 3.521020\n0.029419 0.016230 7.019582\nY Si Pd\n2 2 2\ndirect\n0.450744 0.450743 0.788747 Y\n0.549256 0.549256 0.211253 Y\n0.153406 0.153405 0.793681 Si\n0.846594 0.846593 0.206319 Si\n0.818119 0.818118 0.623799 Pd\n0.181881 0.181880 0.376201 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Si",
"Pd"
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"chemical_system": "Pd-Si-Y",
"density": 6.480504256993131,
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"volume": 114.4921011961428,
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"formula_full": "Y2 Si2 Pd2",
"formula_reduced": "YSiPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9673365833333332,
"spacegroup": 12
},
{
"id": "jvasp-15453",
"created_at": "2022-09-04T14:36:35.413070Z",
"updated_at": "2022-09-04T14:36:35.413088Z",
"structure_string": "Y1 Si2 Pd2\n1.0\n3.889179 -0.000000 -1.503339\n-0.581108 3.845521 -1.503339\n0.002895 0.003364 5.789864\nY Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.617117 0.617117 0.234234 Si\n0.382881 0.382882 0.765764 Si\n0.249999 0.749999 0.499999 Pd\n0.749999 0.249999 0.499999 Pd\n",
"nsites": 5,
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"elements": [
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"Si",
"Pd"
],
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"density": 6.860448082669909,
"density_atomic": 0.057715338136200826,
"volume": 86.632083627417,
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"formula_full": "Y1 Si2 Pd2",
"formula_reduced": "Y(SiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.48385481,
"spacegroup": 139
},
{
"id": "jvasp-92295",
"created_at": "2022-09-04T14:35:49.017683Z",
"updated_at": "2022-09-04T14:35:49.017709Z",
"structure_string": "Y1 Si2 Pd2\n1.0\n4.169641 -0.000000 -0.000000\n-0.000000 4.169641 -0.000000\n-2.084820 -2.084820 4.982960\nY Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.617121 0.617121 0.234243 Si\n0.382879 0.382879 0.765757 Si\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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"density": 6.8603537776373695,
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"volume": 86.63327450499129,
"volume_molar": 10.434355471375538,
"formula_full": "Y1 Si2 Pd2",
"formula_reduced": "Y(SiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.48385481,
"spacegroup": 139
},
{
"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,
"nelements": 3,
"elements": [
"U",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-U",
"density": 9.795492886128677,
"density_atomic": 0.05817080256486238,
"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
},
{
"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,
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"elements": [
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"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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"density": 9.805328230426483,
"density_atomic": 0.05762856448811335,
"volume": 277.64009293169556,
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"formula_full": "Tm4 Si4 Pd8",
"formula_reduced": "TmSiPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7094810625,
"spacegroup": 62
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{
"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",
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"elements": [
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"formula_full": "Ti1 Si1 Pd1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
}
]
}