HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=715",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=713",
"results": [
{
"id": "jvasp-155",
"created_at": "2022-09-04T14:36:58.147946Z",
"updated_at": "2022-09-04T14:36:58.147971Z",
"structure_string": "Pd4 S8\n1.0\n5.532249 0.000000 0.000000\n0.000000 5.612249 0.000000\n0.000000 0.000000 7.553893\nPd S\n4 8\ndirect\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.604570 0.109947 0.082911 S\n0.104570 0.390053 0.917088 S\n0.395431 0.609948 0.417089 S\n0.895431 0.890053 0.582911 S\n0.104570 0.109947 0.417089 S\n0.604570 0.390053 0.582911 S\n0.895431 0.609948 0.082911 S\n0.395431 0.890053 0.917088 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pd",
"S"
],
"chemical_system": "Pd-S",
"density": 4.8300467414818895,
"density_atomic": 0.0511648572816802,
"volume": 234.53598109217538,
"volume_molar": 11.770072428514823,
"formula_full": "Pd4 S8",
"formula_reduced": "PdS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5107585666666663,
"spacegroup": 61
},
{
"id": "jvasp-25034",
"created_at": "2022-09-04T14:38:30.631779Z",
"updated_at": "2022-09-04T14:38:30.631794Z",
"structure_string": "Pd6 S2\n1.0\n4.597477 0.008992 0.000000\n-1.443637 4.364949 0.000000\n0.000000 0.000000 6.398531\nPd S\n6 2\ndirect\n0.147284 0.538491 0.750000 Pd\n0.535748 0.150039 0.750000 Pd\n0.998629 0.001371 0.000000 Pd\n0.998629 0.001371 0.500000 Pd\n0.461509 0.852716 0.250000 Pd\n0.849961 0.464252 0.250000 Pd\n0.309422 0.312183 0.250000 S\n0.687818 0.690578 0.750000 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pd",
"S"
],
"chemical_system": "Pd-S",
"density": 9.080887394316456,
"density_atomic": 0.06226301246217237,
"volume": 128.48719783451477,
"volume_molar": 9.67209989021769,
"formula_full": "Pd6 S2",
"formula_reduced": "Pd3S",
"formula_anonymous": "AB3",
"energy_above_hull": 1.666936775,
"spacegroup": 63
},
{
"id": "jvasp-23395",
"created_at": "2022-09-04T14:37:42.987223Z",
"updated_at": "2022-09-04T14:37:42.987246Z",
"structure_string": "Pd8 S8\n1.0\n6.506951 0.000000 0.000000\n-0.000000 6.506951 0.000000\n0.000000 0.000000 6.675936\nPd S\n8 8\ndirect\n0.530780 0.741903 0.000000 Pd\n0.258097 0.530780 0.500000 Pd\n0.741903 0.469220 0.500000 Pd\n0.469220 0.258097 0.000000 Pd\n0.000000 0.000000 0.750000 Pd\n0.000000 0.000000 0.250000 Pd\n0.500000 -0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.193623 0.307519 0.771395 S\n0.692481 0.193623 0.271394 S\n0.307519 0.806377 0.271394 S\n0.806377 0.692481 0.771395 S\n0.806377 0.692481 0.228606 S\n0.307519 0.806377 0.728606 S\n0.692481 0.193623 0.728606 S\n0.193623 0.307519 0.228606 S\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Pd",
"S"
],
"chemical_system": "Pd-S",
"density": 6.508405187442574,
"density_atomic": 0.05660473289589219,
"volume": 282.6618761619688,
"volume_molar": 10.638935035831654,
"formula_full": "Pd8 S8",
"formula_reduced": "PdS",
"formula_anonymous": "AB",
"energy_above_hull": 0.98303285,
"spacegroup": 84
},
{
"id": "jvasp-140",
"created_at": "2022-09-04T14:36:40.687232Z",
"updated_at": "2022-09-04T14:36:40.687242Z",
"structure_string": "Pd4 Se8\n1.0\n5.875159 0.000000 0.000000\n0.000000 5.982872 0.000000\n0.000000 0.000000 7.537849\nPd Se\n4 8\ndirect\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.612338 0.118492 0.096890 Se\n0.112338 0.381508 0.903110 Se\n0.387662 0.618491 0.403110 Se\n0.887663 0.881508 0.596890 Se\n0.112338 0.118492 0.403110 Se\n0.612338 0.381508 0.596890 Se\n0.887663 0.618491 0.096890 Se\n0.387662 0.881508 0.903110 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pd",
"Se"
],
"chemical_system": "Pd-Se",
"density": 6.626667885497319,
"density_atomic": 0.04529022485060226,
"volume": 264.9578366984068,
"volume_molar": 13.296778233857497,
"formula_full": "Pd4 Se8",
"formula_reduced": "PdSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2291241444444445,
"spacegroup": 61
},
{
"id": "jvasp-21512",
"created_at": "2022-09-04T14:38:33.460394Z",
"updated_at": "2022-09-04T14:38:33.460425Z",
"structure_string": "Pd8 Se2\n1.0\n5.321514 0.000000 0.000000\n0.000000 5.321514 -0.000000\n0.000000 -0.000000 5.717012\nPd Se\n8 2\ndirect\n0.625818 0.769072 0.846723 Pd\n0.730927 0.874181 0.346723 Pd\n0.269072 0.125818 0.346723 Pd\n0.230927 0.625818 0.153277 Pd\n0.874181 0.269072 0.653277 Pd\n0.125818 0.730927 0.653277 Pd\n0.374181 0.230927 0.846723 Pd\n0.769072 0.374181 0.153277 Pd\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pd",
"Se"
],
"chemical_system": "Pd-Se",
"density": 10.35192800411906,
"density_atomic": 0.06176756460024421,
"volume": 161.89726865093954,
"volume_molar": 9.749681404754933,
"formula_full": "Pd8 Se2",
"formula_reduced": "Pd4Se",
"formula_anonymous": "AB4",
"energy_above_hull": 1.6902392333333331,
"spacegroup": 114
},
{
"id": "jvasp-20773",
"created_at": "2022-09-04T14:38:33.762884Z",
"updated_at": "2022-09-04T14:38:33.762901Z",
"structure_string": "Pd14 Se8\n1.0\n5.380415 0.000000 0.000000\n0.000000 7.059075 0.000000\n0.000000 0.000000 10.380220\nPd Se\n14 8\ndirect\n0.663292 0.870816 0.632993 Pd\n0.647874 0.687119 0.917691 Pd\n0.647874 0.312881 0.082309 Pd\n0.352127 0.187119 0.582309 Pd\n0.993581 0.586540 0.726341 Pd\n0.993581 0.413461 0.273659 Pd\n0.006420 0.086539 0.773659 Pd\n0.352127 0.812882 0.417691 Pd\n0.675947 0.500000 0.500000 Pd\n0.324054 0.000000 0.000000 Pd\n0.336709 0.629185 0.132993 Pd\n0.336709 0.370815 0.867007 Pd\n0.663292 0.129185 0.367007 Pd\n0.006420 0.913461 0.226341 Pd\n0.315989 0.175545 0.219837 Se\n0.998366 0.000000 0.500000 Se\n0.001635 0.500000 0.000000 Se\n0.172258 0.500000 0.500000 Se\n0.827743 0.000000 0.000000 Se\n0.684011 0.675546 0.280163 Se\n0.684011 0.324455 0.719837 Se\n0.315989 0.824455 0.780163 Se\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Pd",
"Se"
],
"chemical_system": "Pd-Se",
"density": 8.935817430134446,
"density_atomic": 0.05580235810194422,
"volume": 394.24857207304103,
"volume_molar": 10.791910888422082,
"formula_full": "Pd14 Se8",
"formula_reduced": "Pd7Se4",
"formula_anonymous": "A4B7",
"energy_above_hull": 1.8721075787878787,
"spacegroup": 18
},
{
"id": "jvasp-23540",
"created_at": "2022-09-04T14:37:39.567325Z",
"updated_at": "2022-09-04T14:37:39.567352Z",
"structure_string": "Pd8 Se8\n1.0\n6.826852 0.000000 0.000000\n-0.000000 6.826852 0.000000\n0.000000 0.000000 7.015141\nPd Se\n8 8\ndirect\n0.530557 0.737880 0.000000 Pd\n0.262120 0.530557 0.500000 Pd\n0.737880 0.469443 0.500000 Pd\n0.469443 0.262120 0.000000 Pd\n0.500000 -0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.000000 0.750000 Pd\n0.000000 0.000000 0.250000 Pd\n0.194280 0.307495 0.770728 Se\n0.692505 0.194280 0.270728 Se\n0.307495 0.805719 0.270728 Se\n0.805719 0.692505 0.770728 Se\n0.805719 0.692505 0.229272 Se\n0.307495 0.805719 0.729272 Se\n0.692505 0.194280 0.729272 Se\n0.194280 0.307495 0.229272 Se\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Pd",
"Se"
],
"chemical_system": "Pd-Se",
"density": 7.532247502705355,
"density_atomic": 0.04893759274584708,
"volume": 326.94701766583694,
"volume_molar": 12.30575600903673,
"formula_full": "Pd8 Se8",
"formula_reduced": "PdSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.8663195333333336,
"spacegroup": 84
},
{
"id": "jvasp-57871",
"created_at": "2022-09-04T14:38:35.800022Z",
"updated_at": "2022-09-04T14:38:35.800046Z",
"structure_string": "Pd14 Se4\n1.0\n0.000000 5.647103 0.000425\n5.425134 0.000000 0.000000\n0.000000 -0.612492 -9.509900\nPd Se\n14 4\ndirect\n0.207303 0.083394 0.425156 Pd\n0.500000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.792697 0.916606 0.574845 Pd\n0.207303 0.416606 0.925156 Pd\n0.573109 0.842181 0.293237 Pd\n0.426891 0.157819 0.706763 Pd\n0.426890 0.342181 0.206763 Pd\n0.968328 0.102329 0.148203 Pd\n0.031671 0.602328 0.351797 Pd\n0.031672 0.897671 0.851797 Pd\n0.968328 0.397671 0.648203 Pd\n0.792697 0.583393 0.074845 Pd\n0.573109 0.657818 0.793237 Pd\n0.225011 0.771446 0.621375 Se\n0.774989 0.228553 0.378625 Se\n0.225011 0.728553 0.121375 Se\n0.774989 0.271447 0.878625 Se\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Pd",
"Se"
],
"chemical_system": "Pd-Se",
"density": 10.291756014425264,
"density_atomic": 0.0617820737069729,
"volume": 291.3466466886894,
"volume_molar": 9.747391757295977,
"formula_full": "Pd14 Se4",
"formula_reduced": "Pd7Se2",
"formula_anonymous": "A2B7",
"energy_above_hull": 1.8837107370370372,
"spacegroup": 14
},
{
"id": "jvasp-100498",
"created_at": "2022-09-04T14:36:37.547104Z",
"updated_at": "2022-09-04T14:36:37.547131Z",
"structure_string": "Pd3 W1\n1.0\n3.551591 -0.006971 -3.317130\n-0.674704 3.486921 -3.317130\n0.005763 0.006971 4.859744\nPd W\n3 1\ndirect\n0.750000 0.250000 0.499999 Pd\n0.250000 0.750000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pd",
"W"
],
"chemical_system": "Pd-W",
"density": 13.848537603569945,
"density_atomic": 0.06630716978546754,
"volume": 60.32530136547428,
"volume_molar": 9.082186405307658,
"formula_full": "Pd3 W1",
"formula_reduced": "Pd3W",
"formula_anonymous": "AB3",
"energy_above_hull": 3.208296775,
"spacegroup": 139
},
{
"id": "jvasp-106014",
"created_at": "2022-09-04T14:36:06.699061Z",
"updated_at": "2022-09-04T14:36:06.699090Z",
"structure_string": "Pd1 W1\n1.0\n2.673429 0.002620 4.111528\n1.221134 2.378247 4.111528\n0.004286 0.002620 4.904271\nPd W\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 W\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pd",
"W"
],
"chemical_system": "Pd-W",
"density": 15.49376304438056,
"density_atomic": 0.06429106455425501,
"volume": 31.108522060825525,
"volume_molar": 9.36699493429283,
"formula_full": "Pd1 W1",
"formula_reduced": "PdW",
"formula_anonymous": "AB",
"energy_above_hull": 3.38742285,
"spacegroup": 166
},
{
"id": "jvasp-102543",
"created_at": "2022-09-04T14:37:04.917924Z",
"updated_at": "2022-09-04T14:37:04.917939Z",
"structure_string": "Pm6 Ag2\n1.0\n6.998770 -0.000000 0.000000\n-3.499385 6.061113 0.000000\n-0.000000 -0.000000 5.373060\nPm Ag\n6 2\ndirect\n0.174663 0.349324 0.250000 Pm\n0.650676 0.825337 0.250000 Pm\n0.174663 0.825337 0.250000 Pm\n0.825338 0.650676 0.750000 Pm\n0.349324 0.174662 0.750000 Pm\n0.825338 0.174662 0.750000 Pm\n0.333334 0.666666 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Ag"
],
"chemical_system": "Ag-Pm",
"density": 7.910022208758559,
"density_atomic": 0.03509895563772708,
"volume": 227.92700964016657,
"volume_molar": 17.157606688237,
"formula_full": "Pm6 Ag2",
"formula_reduced": "Pm3Ag",
"formula_anonymous": "AB3",
"energy_above_hull": 1.11798519625,
"spacegroup": 194
},
{
"id": "jvasp-42101",
"created_at": "2022-09-04T14:37:43.298349Z",
"updated_at": "2022-09-04T14:37:43.298382Z",
"structure_string": "Pm1 Ag3\n1.0\n0.000686 3.501907 3.501907\n3.501907 0.000686 3.501907\n3.501907 3.501907 0.000686\nPm Ag\n1 3\ndirect\n0.750000 0.750000 0.750000 Pm\n-0.000031 -0.000031 -0.000031 Ag\n0.500031 0.500031 0.500031 Ag\n0.250001 0.250001 0.250001 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pm",
"Ag"
],
"chemical_system": "Ag-Pm",
"density": 9.062321304030947,
"density_atomic": 0.04658475356330767,
"volume": 85.86500290409579,
"volume_molar": 12.927278346156841,
"formula_full": "Pm1 Ag3",
"formula_reduced": "PmAg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.13417323875,
"spacegroup": 225
}
]
}