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{
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{
"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",
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{
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"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",
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"formula_anonymous": "ABC",
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"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,
"nelements": 3,
"elements": [
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"chemical_system": "Pd-Si-Y",
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"volume": 86.632083627417,
"volume_molar": 10.434212038727932,
"formula_full": "Y1 Si2 Pd2",
"formula_reduced": "Y(SiPd)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"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,
"density_atomic": 0.056980352003788336,
"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-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,
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"elements": [
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"Pd"
],
"chemical_system": "Pd-Si-Zr",
"density": 6.570425264929048,
"density_atomic": 0.05258686943284358,
"volume": 57.048461571403685,
"volume_molar": 11.451795524148126,
"formula_full": "Zr1 Si1 Pd1",
"formula_reduced": "ZrSiPd",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4454762666666667,
"spacegroup": 216
},
{
"id": "jvasp-37298",
"created_at": "2022-09-04T14:37:44.128321Z",
"updated_at": "2022-09-04T14:37:44.128348Z",
"structure_string": "Sm3 Pd1\n1.0\n-2.218282 2.218282 5.394247\n2.218282 -2.218282 5.394247\n2.218282 2.218282 -5.394247\nSm Pd\n3 1\ndirect\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Pd-Sm",
"density": 8.7190594482314,
"density_atomic": 0.03767347322705138,
"volume": 106.17550380589296,
"volume_molar": 15.985095729575079,
"formula_full": "Sm3 Pd1",
"formula_reduced": "Sm3Pd",
"formula_anonymous": "AB3",
"energy_above_hull": 1.51355558125,
"spacegroup": 139
},
{
"id": "jvasp-18844",
"created_at": "2022-09-04T14:35:55.559742Z",
"updated_at": "2022-09-04T14:35:55.559775Z",
"structure_string": "Sm2 Pd2\n1.0\n3.585756 0.000000 -1.269324\n0.000000 4.589548 -0.000000\n-0.002004 -0.000000 5.693762\nSm Pd\n2 2\ndirect\n0.137014 0.750000 0.274026 Sm\n0.862989 0.250000 0.725974 Sm\n0.412369 0.750000 0.824735 Pd\n0.587634 0.250000 0.175266 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Pd-Sm",
"density": 9.102159487587706,
"density_atomic": 0.04269373445997768,
"volume": 93.69056257539883,
"volume_molar": 14.105443892815996,
"formula_full": "Sm2 Pd2",
"formula_reduced": "SmPd",
"formula_anonymous": "AB",
"energy_above_hull": 0.6139972874999997,
"spacegroup": 63
},
{
"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",
"nsites": 4,
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"elements": [
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"density": 10.832042754344501,
"density_atomic": 0.05556159125040969,
"volume": 71.99217858920672,
"volume_molar": 10.838675827081527,
"formula_full": "Sm1 Pd3",
"formula_reduced": "SmPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4136164937500002,
"spacegroup": 221
},
{
"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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"elements": [
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"volume": 106.3756838408195,
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"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-37250",
"created_at": "2022-09-04T14:37:59.613851Z",
"updated_at": "2022-09-04T14:37:59.613872Z",
"structure_string": "Sm1 Sn1 Pd2\n1.0\n0.000000 3.435285 3.435285\n3.435285 0.000000 3.435285\n3.435285 3.435285 0.000000\nSm Sn Pd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Sn\n0.000000 0.000000 0.000000 Pd\n0.499998 0.499998 0.499998 Pd\n",
"nsites": 4,
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"elements": [
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"density": 9.869535668798777,
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"volume": 81.08085409884355,
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"formula_full": "Sm1 Sn1 Pd2",
"formula_reduced": "SmSnPd2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-55016",
"created_at": "2022-09-04T14:37:39.142748Z",
"updated_at": "2022-09-04T14:37:39.142773Z",
"structure_string": "Sm4 Sn4 Pd4\n1.0\n4.685201 0.000000 0.000000\n0.000000 7.368423 0.000000\n0.000000 0.000000 7.995139\nSm Sn Pd\n4 4 4\ndirect\n0.750000 0.510414 0.796063 Sm\n0.750000 0.010414 0.703937 Sm\n0.250000 0.989585 0.296063 Sm\n0.250000 0.489585 0.203937 Sm\n0.750000 0.191881 0.087769 Sn\n0.750000 0.691880 0.412231 Sn\n0.250000 0.808119 0.912231 Sn\n0.250000 0.308119 0.587769 Sn\n0.750000 0.795964 0.083693 Pd\n0.250000 0.204036 0.916307 Pd\n0.750000 0.295964 0.416307 Pd\n0.250000 0.704036 0.583693 Pd\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Pd-Sm-Sn",
"density": 9.036050903473335,
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"volume": 276.0125283835942,
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"formula_full": "Sm4 Sn4 Pd4",
"formula_reduced": "SmSnPd",
"formula_anonymous": "ABC",
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"spacegroup": 62
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]
}