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=-nelements&page=4525",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=4523",
"results": [
{
"id": "jvasp-86799",
"created_at": "2022-09-04T14:35:41.489923Z",
"updated_at": "2022-09-04T14:35:41.489950Z",
"structure_string": "Mg3 Bi2\n1.0\n4.691333 -0.000000 0.000000\n-2.345666 4.062814 -0.000000\n-0.000000 0.000000 7.463808\nMg Bi\n3 2\ndirect\n0.333332 0.666666 0.627203 Mg\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.372797 Mg\n0.333332 0.666666 0.221261 Bi\n0.666666 0.333333 0.778739 Bi\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg",
"density": 5.729768283138332,
"density_atomic": 0.03514684481814639,
"volume": 142.26028042831572,
"volume_molar": 17.134228665927807,
"formula_full": "Mg3 Bi2",
"formula_reduced": "Mg3Bi2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.294353922857143,
"spacegroup": 164
},
{
"id": "jvasp-94378",
"created_at": "2022-09-04T14:35:43.925609Z",
"updated_at": "2022-09-04T14:35:43.925635Z",
"structure_string": "Mg2 Ti4\n1.0\n5.112906 -0.000000 -0.000000\n-2.556453 4.427907 0.000000\n-0.000000 -0.000000 4.872055\nMg Ti\n2 4\ndirect\n0.666668 0.333333 0.000000 Mg\n0.333334 0.666667 0.000000 Mg\n0.000000 0.316055 0.500000 Ti\n0.683947 0.683946 0.500000 Ti\n0.316055 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 3.6142898698267847,
"density_atomic": 0.05439672694139595,
"volume": 110.30075405941375,
"volume_molar": 11.070777781332183,
"formula_full": "Mg2 Ti4",
"formula_reduced": "MgTi2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.202542777777778,
"spacegroup": 189
},
{
"id": "jvasp-91683",
"created_at": "2022-09-04T14:35:45.761605Z",
"updated_at": "2022-09-04T14:35:45.761630Z",
"structure_string": "K4 Co4\n1.0\n0.000000 -0.000000 3.644352\n10.718373 0.000000 0.000000\n0.000000 5.583650 -0.000000\nK Co\n4 4\ndirect\n0.250000 0.399699 0.499881 K\n0.750000 0.100300 0.500119 K\n0.750000 0.899699 0.000119 K\n0.250000 0.600300 -0.000119 K\n0.250000 0.804663 0.500142 Co\n0.750000 0.695337 0.499858 Co\n0.750000 0.304663 -0.000142 Co\n0.250000 0.195337 0.000142 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Co"
],
"chemical_system": "Co-K",
"density": 2.9854330934455913,
"density_atomic": 0.036679433124027404,
"volume": 218.10587892536108,
"volume_molar": 16.418303793400526,
"formula_full": "K4 Co4",
"formula_reduced": "KCo",
"formula_anonymous": "AB",
"energy_above_hull": 1.13991945,
"spacegroup": 74
},
{
"id": "jvasp-85870",
"created_at": "2022-09-04T14:35:43.475959Z",
"updated_at": "2022-09-04T14:35:43.475979Z",
"structure_string": "La1 Zn5\n1.0\n5.478040 -0.000000 0.000000\n-2.739020 4.744122 0.000000\n0.000000 -0.000000 4.261491\nLa Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 La\n-0.000000 0.500000 0.500000 Zn\n0.333333 0.666667 0.000000 Zn\n0.666667 0.333333 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Zn"
],
"chemical_system": "La-Zn",
"density": 6.986283869665322,
"density_atomic": 0.05417621087535083,
"volume": 110.7497165832594,
"volume_molar": 11.115839706574905,
"formula_full": "La1 Zn5",
"formula_reduced": "LaZn5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 191
},
{
"id": "jvasp-19897",
"created_at": "2022-09-04T14:36:51.078924Z",
"updated_at": "2022-09-04T14:36:51.078933Z",
"structure_string": "Pu1 P1\n1.0\n3.468203 -0.000000 2.002368\n1.156068 3.269853 2.002368\n-0.000000 -0.000000 4.004735\nPu P\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500001 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"P"
],
"chemical_system": "P-Pu",
"density": 10.053883095869692,
"density_atomic": 0.044037582908608736,
"volume": 45.41575327035099,
"volume_molar": 13.6750029457742,
"formula_full": "Pu1 P1",
"formula_reduced": "PuP",
"formula_anonymous": "AB",
"energy_above_hull": 3.02541775,
"spacegroup": 225
},
{
"id": "jvasp-98125",
"created_at": "2022-09-04T14:35:44.924687Z",
"updated_at": "2022-09-04T14:35:44.924700Z",
"structure_string": "Bi8 O12\n1.0\n5.527593 0.000000 0.000000\n-0.000000 8.238942 0.000000\n0.000000 0.000000 8.238942\nBi O\n8 12\ndirect\n0.219633 0.250984 0.514985 Bi\n0.780366 0.514985 0.749016 Bi\n0.219633 0.749016 0.485015 Bi\n0.219633 0.750984 0.985014 Bi\n0.219633 0.249016 0.014985 Bi\n0.780366 0.014985 0.750984 Bi\n0.780366 0.985014 0.249016 Bi\n0.780366 0.485015 0.250984 Bi\n0.000000 0.752072 0.252073 O\n0.500000 0.374283 0.125717 O\n0.500000 0.625717 0.874283 O\n0.500000 0.000000 0.000000 O\n0.000000 0.247927 0.747927 O\n0.500000 0.125717 0.625717 O\n0.000000 0.500000 0.000000 O\n0.000000 0.747927 0.752072 O\n0.000000 0.000000 0.500000 O\n0.000000 0.252073 0.247927 O\n0.500000 0.874283 0.374283 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 8.248554421006222,
"density_atomic": 0.05330292558678556,
"volume": 375.2139264370555,
"volume_molar": 11.297955400581168,
"formula_full": "Bi8 O12",
"formula_reduced": "Bi2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.70285382,
"spacegroup": 117
},
{
"id": "jvasp-14883",
"created_at": "2022-09-04T14:35:41.770415Z",
"updated_at": "2022-09-04T14:35:41.770439Z",
"structure_string": "Zr2 V4\n1.0\n4.494316 0.000000 2.594794\n1.498105 4.237282 2.594794\n0.000000 0.000000 5.189589\nZr V\n2 4\ndirect\n0.875000 0.875000 0.874999 Zr\n0.125000 0.125000 0.125000 Zr\n0.500000 0.500000 0.499999 V\n0.500000 0.500000 -0.000001 V\n-0.000000 0.500000 0.500000 V\n0.500000 -0.000000 0.499999 V\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"V"
],
"chemical_system": "V-Zr",
"density": 6.489230080655253,
"density_atomic": 0.06071098973611051,
"volume": 98.82889450624847,
"volume_molar": 9.919358564530318,
"formula_full": "Zr2 V4",
"formula_reduced": "ZrV2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.8656643000000006,
"spacegroup": 227
},
{
"id": "jvasp-95483",
"created_at": "2022-09-04T14:35:45.767540Z",
"updated_at": "2022-09-04T14:35:45.767563Z",
"structure_string": "Zn20 S20\n1.0\n3.841662 -0.000000 -0.000000\n-1.920831 3.326977 -0.000000\n-0.000000 -0.000000 62.775169\nZn S\n20 20\ndirect\n0.000000 0.000000 0.399952 Zn\n0.333333 0.666668 0.299986 Zn\n0.666667 0.333333 0.799986 Zn\n0.333333 0.666668 0.150042 Zn\n0.666667 0.333333 0.499996 Zn\n0.000000 0.000000 0.750006 Zn\n0.333333 0.666668 0.849970 Zn\n0.000000 0.000000 0.250006 Zn\n0.333333 0.666668 0.550094 Zn\n0.000000 0.000000 0.899952 Zn\n0.333333 0.666668 -0.000004 Zn\n0.666667 0.333333 0.349970 Zn\n0.000000 0.000000 0.100059 Zn\n0.666667 0.333333 0.949930 Zn\n0.000000 0.000000 0.600059 Zn\n0.333333 0.666668 0.700026 Zn\n0.666667 0.333333 0.650042 Zn\n0.666667 0.333333 0.200026 Zn\n0.333333 0.666668 0.449931 Zn\n0.666667 0.333333 0.050094 Zn\n0.666667 0.333333 0.987407 S\n0.666667 0.333333 0.537556 S\n0.666667 0.333333 0.387451 S\n0.333333 0.666668 0.587561 S\n0.333333 0.666668 0.187524 S\n0.000000 0.000000 0.637542 S\n0.333333 0.666668 0.037556 S\n0.333333 0.666668 0.737507 S\n0.666667 0.333333 0.687524 S\n0.666667 0.333333 0.087561 S\n0.000000 0.000000 0.287487 S\n0.333333 0.666668 0.487407 S\n0.000000 0.000000 0.787487 S\n0.333333 0.666668 0.337468 S\n0.333333 0.666668 0.887451 S\n0.666667 0.333333 0.837468 S\n0.666667 0.333333 0.237507 S\n0.000000 0.000000 0.937434 S\n0.000000 0.000000 0.137542 S\n0.000000 0.000000 0.437434 S\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 4.034698070793576,
"density_atomic": 0.04985436057782806,
"volume": 802.3370380521814,
"volume_molar": 12.079466450279282,
"formula_full": "Zn20 S20",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy_above_hull": 5.000000000032756e-06,
"spacegroup": 186
},
{
"id": "jvasp-63060",
"created_at": "2022-09-04T14:35:43.962646Z",
"updated_at": "2022-09-04T14:35:43.962670Z",
"structure_string": "B16 W4\n1.0\n6.969913 0.000000 -0.000000\n0.000000 6.969913 0.000000\n-0.000000 0.000000 3.942446\nB W\n16 4\ndirect\n0.000000 0.000000 0.199319 B\n0.318909 0.475402 0.500000 B\n0.681091 0.524597 0.500000 B\n0.475402 0.681091 0.500000 B\n0.524597 0.318909 0.500000 B\n0.818909 0.024597 0.500000 B\n0.181091 0.975402 0.500000 B\n0.024597 0.181091 0.500000 B\n0.975402 0.818909 0.500000 B\n0.911841 0.588159 0.500000 B\n0.588159 0.088159 0.500000 B\n0.411841 0.911841 0.500000 B\n0.500000 0.500000 0.199319 B\n0.000000 0.000000 0.800682 B\n0.500000 0.500000 0.800682 B\n0.088159 0.411841 0.500000 B\n0.383918 0.116081 0.000000 W\n0.883918 0.383918 0.000000 W\n0.116081 0.616081 0.000000 W\n0.616081 0.883918 0.000000 W\n",
"nsites": 20,
"nelements": 2,
"elements": [
"B",
"W"
],
"chemical_system": "B-W",
"density": 7.87544597336891,
"density_atomic": 0.1044262128018543,
"volume": 191.5227935915805,
"volume_molar": 5.766886108784619,
"formula_full": "B16 W4",
"formula_reduced": "B4W",
"formula_anonymous": "AB4",
"energy_above_hull": 5.591756066666667,
"spacegroup": 127
},
{
"id": "jvasp-85852",
"created_at": "2022-09-04T14:35:46.207667Z",
"updated_at": "2022-09-04T14:35:46.207693Z",
"structure_string": "Ag6 O8\n1.0\n3.626062 0.040412 0.000000\n-1.540309 5.497290 0.000000\n0.000000 0.000000 9.297888\nAg O\n6 8\ndirect\n0.286403 0.548693 0.858304 Ag\n0.713596 0.951307 0.358303 Ag\n0.713596 0.451307 0.141697 Ag\n0.286403 0.048693 0.641697 Ag\n-0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.042711 0.328970 0.690957 O\n0.957288 0.171030 0.190957 O\n0.957288 0.671030 0.309043 O\n0.042711 0.828970 0.809043 O\n0.478914 0.272918 0.954024 O\n0.521085 0.227081 0.454024 O\n0.478914 0.772918 0.545976 O\n0.521085 0.727081 0.045976 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ag",
"O"
],
"chemical_system": "Ag-O",
"density": 6.923776996208479,
"density_atomic": 0.07530187334720669,
"volume": 185.91834940742982,
"volume_molar": 7.997331928560036,
"formula_full": "Ag6 O8",
"formula_reduced": "Ag3O4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.4156051114285713,
"spacegroup": 14
},
{
"id": "jvasp-1735",
"created_at": "2022-09-04T14:35:42.447369Z",
"updated_at": "2022-09-04T14:35:42.447397Z",
"structure_string": "Lu1 B2\n1.0\n1.617389 -2.801401 0.000000\n1.617389 2.801401 0.000000\n0.000000 0.000000 3.720678\nLu B\n1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Lu",
"B"
],
"chemical_system": "B-Lu",
"density": 9.682030904226393,
"density_atomic": 0.08897733795085826,
"volume": 33.716450380397816,
"volume_molar": 6.7681736706103734,
"formula_full": "Lu1 B2",
"formula_reduced": "LuB2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8005669722222226,
"spacegroup": 191
},
{
"id": "jvasp-63839",
"created_at": "2022-09-04T14:35:44.961703Z",
"updated_at": "2022-09-04T14:35:44.961739Z",
"structure_string": "Ca2 Au2\n1.0\n1.972142 -5.519167 -0.000000\n1.972142 5.519167 0.000000\n0.000000 -0.000000 4.613118\nCa Au\n2 2\ndirect\n0.861550 0.138448 0.750000 Ca\n0.138448 0.861550 0.250000 Ca\n0.584981 0.415018 0.750000 Au\n0.415018 0.584981 0.250000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Au"
],
"chemical_system": "Au-Ca",
"density": 7.839219516482609,
"density_atomic": 0.03983122970694325,
"volume": 100.42371348888416,
"volume_molar": 15.119143456799277,
"formula_full": "Ca2 Au2",
"formula_reduced": "CaAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
}
]
}