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=4553",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=4551",
"results": [
{
"id": "jvasp-35977",
"created_at": "2022-09-04T14:37:12.963926Z",
"updated_at": "2022-09-04T14:37:12.963960Z",
"structure_string": "Zr1 B6\n1.0\n4.053404 0.000000 -0.000000\n0.000000 4.053404 -0.000000\n-0.000000 -0.000000 4.053404\nZr B\n1 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.197462 0.500000 0.500000 B\n0.500000 0.500000 0.802537 B\n0.500000 0.500000 0.197462 B\n0.500000 0.197462 0.500000 B\n0.500000 0.802537 0.500000 B\n0.802537 0.500000 0.500000 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Zr",
"B"
],
"chemical_system": "B-Zr",
"density": 3.8919253616094323,
"density_atomic": 0.10510862742128153,
"volume": 66.59776815411726,
"volume_molar": 5.729444773227708,
"formula_full": "Zr1 B6",
"formula_reduced": "ZrB6",
"formula_anonymous": "AB6",
"energy_above_hull": 5.075757142857143,
"spacegroup": 221
},
{
"id": "jvasp-78524",
"created_at": "2022-09-04T14:37:18.369677Z",
"updated_at": "2022-09-04T14:37:18.369696Z",
"structure_string": "Mg1 Nb2\n1.0\n2.618891 1.377106 -0.685379\n2.618891 -1.377106 -0.685379\n0.054913 0.000000 -7.951167\nMg Nb\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.171642 0.171642 0.335286 Nb\n0.828357 0.828357 0.664715 Nb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Nb"
],
"chemical_system": "Mg-Nb",
"density": 6.094693296232851,
"density_atomic": 0.052403615379718126,
"volume": 57.24795852847008,
"volume_molar": 11.491842149369644,
"formula_full": "Mg1 Nb2",
"formula_reduced": "MgNb2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.0997805809523804,
"spacegroup": 12
},
{
"id": "jvasp-34163",
"created_at": "2022-09-04T14:37:27.730866Z",
"updated_at": "2022-09-04T14:37:27.730885Z",
"structure_string": "Si6 W10\n1.0\n4.679558 -0.000000 1.705961\n2.339778 6.861060 0.852981\n-0.010176 -0.000000 7.299054\nSi W\n6 10\ndirect\n0.750000 0.000000 -0.000000 Si\n0.250000 0.000000 -0.000000 Si\n0.831591 0.500000 0.836817 Si\n0.668409 0.163182 0.500000 Si\n0.331592 0.836818 0.500000 Si\n0.168409 0.500000 0.163182 Si\n0.424995 0.300098 0.849911 W\n0.575005 0.699902 0.150088 W\n0.250000 0.500000 0.500000 W\n0.750000 0.500000 0.500000 W\n0.725094 0.849911 0.699901 W\n0.274906 0.150089 0.300098 W\n0.924996 0.849911 0.300098 W\n0.225093 0.699902 0.849911 W\n0.774907 0.300098 0.150088 W\n0.075004 0.150089 0.699902 W\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Si",
"W"
],
"chemical_system": "Si-W",
"density": 14.21328100875176,
"density_atomic": 0.06823963284962924,
"volume": 234.4678500140396,
"volume_molar": 8.824989977994466,
"formula_full": "Si6 W10",
"formula_reduced": "Si3W5",
"formula_anonymous": "A3B5",
"energy_above_hull": 7.101855725,
"spacegroup": 140
},
{
"id": "jvasp-5728",
"created_at": "2022-09-04T14:37:08.537921Z",
"updated_at": "2022-09-04T14:37:08.537941Z",
"structure_string": "Ta6 Cl30\n1.0\n5.810136 -0.004171 0.040793\n0.084410 12.764522 0.352141\n-0.011946 -0.010482 12.769647\nTa Cl\n6 30\ndirect\n-0.000001 0.110889 0.889111 Ta\n0.484359 0.222310 0.444229 Ta\n0.515641 0.555771 0.777690 Ta\n-0.000000 0.889111 0.110889 Ta\n0.484359 0.444229 0.222310 Ta\n0.515641 0.777690 0.555771 Ta\n0.272159 0.802900 0.418301 Cl\n0.727841 0.581699 0.197100 Cl\n0.290339 0.614230 0.614230 Cl\n0.241288 0.469405 0.084693 Cl\n0.720552 0.133098 0.328631 Cl\n0.279448 0.671369 0.866902 Cl\n0.279448 0.866902 0.671369 Cl\n0.720552 0.328631 0.133098 Cl\n0.241287 0.084694 0.469405 Cl\n0.758712 0.530595 0.915306 Cl\n0.758713 0.915306 0.530595 Cl\n0.709661 0.385770 0.385770 Cl\n0.247630 0.337604 0.533598 Cl\n0.230983 0.004576 0.200104 Cl\n0.752369 0.466402 0.662396 Cl\n0.752370 0.662396 0.466402 Cl\n0.247630 0.533598 0.337604 Cl\n0.727841 0.197100 0.581699 Cl\n0.272159 0.418301 0.802900 Cl\n0.771177 0.052451 0.052451 Cl\n0.258405 0.280954 0.280954 Cl\n0.228823 0.947549 0.947549 Cl\n0.245028 0.136231 0.751252 Cl\n0.245029 0.751252 0.136231 Cl\n0.754972 0.863769 0.248748 Cl\n0.230983 0.200104 0.004576 Cl\n0.769017 0.995424 0.799896 Cl\n0.769017 0.799896 0.995424 Cl\n0.754971 0.248748 0.863769 Cl\n0.741595 0.719046 0.719046 Cl\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Ta",
"Cl"
],
"chemical_system": "Cl-Ta",
"density": 3.7684005521911543,
"density_atomic": 0.03801176312789092,
"volume": 947.0752482298092,
"volume_molar": 15.842834597644032,
"formula_full": "Ta6 Cl30",
"formula_reduced": "TaCl5",
"formula_anonymous": "AB5",
"energy_above_hull": 1.1042415895833328,
"spacegroup": 12
},
{
"id": "jvasp-22665",
"created_at": "2022-09-04T14:37:12.976950Z",
"updated_at": "2022-09-04T14:37:12.976966Z",
"structure_string": "Be2 I4\n1.0\n5.396120 0.000000 -2.535078\n-1.209965 5.335620 -2.575510\n0.029946 -0.005029 7.074322\nBe I\n2 4\ndirect\n-0.000001 0.750000 -0.000000 Be\n-0.000000 0.250000 -0.000000 Be\n0.893955 0.618640 0.237279 I\n0.343324 0.118640 0.237279 I\n0.656675 0.881360 0.762720 I\n0.106045 0.381360 0.762720 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Be",
"I"
],
"chemical_system": "Be-I",
"density": 4.278650611854837,
"density_atomic": 0.0294116044330193,
"volume": 204.0011116586359,
"volume_molar": 20.47539016007971,
"formula_full": "Be2 I4",
"formula_reduced": "BeI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1584762166666667,
"spacegroup": 72
},
{
"id": "jvasp-12502",
"created_at": "2022-09-04T14:37:33.540861Z",
"updated_at": "2022-09-04T14:37:33.540897Z",
"structure_string": "Pr4 Br10\n1.0\n0.000000 7.799940 -0.314329\n4.189085 0.000000 0.000000\n0.000000 -0.202861 -13.396699\nPr Br\n4 10\ndirect\n0.072620 0.750001 0.160759 Pr\n0.927380 0.250000 0.839241 Pr\n0.573272 0.750001 0.658588 Pr\n0.426728 0.250000 0.341412 Pr\n0.672988 0.750001 0.270207 Br\n0.327012 0.250000 0.729793 Br\n0.153862 0.750001 0.931465 Br\n0.846138 0.250000 0.068535 Br\n0.694912 0.250000 0.509771 Br\n0.305088 0.750001 0.490229 Br\n0.044779 0.250000 0.323815 Br\n0.955222 0.750001 0.676185 Br\n0.351052 0.250000 0.120378 Br\n0.648948 0.750001 0.879622 Br\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Pr",
"Br"
],
"chemical_system": "Br-Pr",
"density": 5.166147602363673,
"density_atomic": 0.03196353930492866,
"volume": 437.99905468670215,
"volume_molar": 18.840656857644703,
"formula_full": "Pr4 Br10",
"formula_reduced": "Pr2Br5",
"formula_anonymous": "A2B5",
"energy_above_hull": 0.3426618976190476,
"spacegroup": 11
},
{
"id": "jvasp-78914",
"created_at": "2022-09-04T14:37:13.002473Z",
"updated_at": "2022-09-04T14:37:13.002481Z",
"structure_string": "W1 O2\n1.0\n2.818952 0.013690 4.301334\n1.294089 2.504398 4.301334\n0.022360 0.013690 5.142710\nW O\n1 2\ndirect\n0.000000 0.000000 0.000000 W\n0.251738 0.251736 0.251736 O\n0.748265 0.748263 0.748262 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 9.98744293919854,
"density_atomic": 0.08359820463203116,
"volume": 35.88593813951994,
"volume_molar": 7.203672359361387,
"formula_full": "W1 O2",
"formula_reduced": "WO2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2019456666666666,
"spacegroup": 166
},
{
"id": "jvasp-79279",
"created_at": "2022-09-04T14:37:13.002057Z",
"updated_at": "2022-09-04T14:37:13.002080Z",
"structure_string": "Ti2 Ni2\n1.0\n2.737991 -0.000002 -0.000002\n-0.000002 4.247055 -0.000002\n-0.000004 -0.000003 4.621533\nTi Ni\n2 2\ndirect\n0.500000 0.250001 0.282831 Ti\n0.500001 0.750002 0.717156 Ti\n0.000001 0.250001 0.815070 Ni\n0.000001 0.750001 0.184943 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Ni"
],
"chemical_system": "Ni-Ti",
"density": 6.585200087484325,
"density_atomic": 0.07443103042649903,
"volume": 53.74102678788006,
"volume_molar": 8.09090069758861,
"formula_full": "Ti2 Ni2",
"formula_reduced": "TiNi",
"formula_anonymous": "AB",
"energy_above_hull": 1.414940366666667,
"spacegroup": 51
},
{
"id": "jvasp-37475",
"created_at": "2022-09-04T14:37:27.742574Z",
"updated_at": "2022-09-04T14:37:27.742595Z",
"structure_string": "Yb3 V1\n1.0\n4.894348 0.000000 0.000000\n0.000000 4.894348 0.000000\n-0.000000 0.000000 4.894348\nYb V\n3 1\ndirect\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 V\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"V"
],
"chemical_system": "V-Yb",
"density": 8.073954026526945,
"density_atomic": 0.03411736288405158,
"volume": 117.24235585247506,
"volume_molar": 17.651249249440365,
"formula_full": "Yb3 V1",
"formula_reduced": "Yb3V",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6079940750000001,
"spacegroup": 221
},
{
"id": "jvasp-4807",
"created_at": "2022-09-04T14:37:13.013261Z",
"updated_at": "2022-09-04T14:37:13.013292Z",
"structure_string": "Zr2 Np1\n1.0\n2.619099 -4.536413 0.000000\n2.619099 4.536413 0.000000\n0.000000 0.000000 2.767775\nZr Np\n2 1\ndirect\n0.666667 0.333333 0.500001 Zr\n0.333333 0.666667 0.500001 Zr\n0.000000 0.000000 0.000000 Np\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"Np"
],
"chemical_system": "Np-Zr",
"density": 10.590145973995368,
"density_atomic": 0.04561377077472307,
"volume": 65.76961187480808,
"volume_molar": 13.202462014688724,
"formula_full": "Zr2 Np1",
"formula_reduced": "Zr2Np",
"formula_anonymous": "AB2",
"energy_above_hull": 4.7992463333333335,
"spacegroup": 191
},
{
"id": "jvasp-41612",
"created_at": "2022-09-04T14:37:30.145253Z",
"updated_at": "2022-09-04T14:37:30.145278Z",
"structure_string": "V4 Cl16\n1.0\n0.000000 7.532492 0.225430\n6.262488 0.000000 0.000000\n0.000000 -3.625655 -12.140927\nV Cl\n4 16\ndirect\n0.465340 0.824345 0.185288 V\n0.534660 0.824345 0.814713 V\n0.034646 0.175653 0.314719 V\n0.965353 0.175653 0.685281 V\n0.798517 0.663478 0.877492 Cl\n0.201482 0.663478 0.122508 Cl\n0.052822 0.174495 0.863744 Cl\n0.947178 0.174495 0.136256 Cl\n0.447195 0.825506 0.636256 Cl\n0.552805 0.825506 0.363744 Cl\n0.934648 0.852780 0.626236 Cl\n0.565366 0.147215 0.873763 Cl\n0.298509 0.336524 0.377490 Cl\n0.434633 0.147215 0.126237 Cl\n0.822386 0.329292 0.367556 Cl\n0.177613 0.329292 0.632444 Cl\n0.322408 0.670710 0.867557 Cl\n0.677591 0.670710 0.132443 Cl\n0.065351 0.852780 0.373764 Cl\n0.701490 0.336524 0.622510 Cl\n",
"nsites": 20,
"nelements": 2,
"elements": [
"V",
"Cl"
],
"chemical_system": "Cl-V",
"density": 2.2556556912683363,
"density_atomic": 0.03523639281156327,
"volume": 567.5949892758814,
"volume_molar": 17.090684600450242,
"formula_full": "V4 Cl16",
"formula_reduced": "VCl4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.7828120940000002,
"spacegroup": 13
},
{
"id": "jvasp-7988",
"created_at": "2022-09-04T14:37:05.998275Z",
"updated_at": "2022-09-04T14:37:05.998293Z",
"structure_string": "Tl1 F1\n1.0\n3.504585 0.000000 -1.839546\n-0.965573 3.368944 -1.839546\n-0.162318 -0.215376 3.948889\nTl F\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.499999 0.499999 -0.000002 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"F"
],
"chemical_system": "F-Tl",
"density": 8.459820951852345,
"density_atomic": 0.04561361281093315,
"volume": 43.846559760348974,
"volume_molar": 13.20250773592867,
"formula_full": "Tl1 F1",
"formula_reduced": "TlF",
"formula_anonymous": "AB",
"energy_above_hull": 0.01427,
"spacegroup": 225
}
]
}