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=-formula_reduced&page=1221",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1219",
"results": [
{
"id": "jvasp-41889",
"created_at": "2022-09-04T14:37:38.395450Z",
"updated_at": "2022-09-04T14:37:38.395472Z",
"structure_string": "Sc2 Tc1 Ni1\n1.0\n0.000000 3.187874 3.187874\n3.187874 0.000000 3.187874\n3.187874 3.187874 0.000000\nSc Tc Ni\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499999 0.499999 0.499999 Sc\n0.749999 0.749999 0.749999 Tc\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tc",
"Ni"
],
"chemical_system": "Ni-Sc-Tc",
"density": 6.320012410306902,
"density_atomic": 0.06173430349223708,
"volume": 64.79379815960812,
"volume_molar": 9.754934322304724,
"formula_full": "Sc2 Tc1 Ni1",
"formula_reduced": "Sc2TcNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8239936,
"spacegroup": 225
},
{
"id": "jvasp-41883",
"created_at": "2022-09-04T14:37:34.675956Z",
"updated_at": "2022-09-04T14:37:34.675982Z",
"structure_string": "Sc2 Tc1 Hg1\n1.0\n-0.000000 3.349155 3.349155\n3.349155 0.000000 3.349155\n3.349155 3.349155 0.000000\nSc Tc Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499998 0.499998 0.499998 Sc\n0.750000 0.750000 0.750000 Tc\n0.250001 0.250001 0.250001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tc",
"Hg"
],
"chemical_system": "Hg-Sc-Tc",
"density": 8.586307189758458,
"density_atomic": 0.053238309144406616,
"volume": 75.13386627569581,
"volume_molar": 11.311667963881428,
"formula_full": "Sc2 Tc1 Hg1",
"formula_reduced": "Sc2TcHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.17888665,
"spacegroup": 225
},
{
"id": "jvasp-41886",
"created_at": "2022-09-04T14:37:37.427820Z",
"updated_at": "2022-09-04T14:37:37.427840Z",
"structure_string": "Sc2 Tc1 Au1\n1.0\n-0.000062 3.289779 3.289817\n3.289758 -0.000004 3.289759\n3.289777 3.289739 -0.000022\nSc Tc Au\n2 1 1\ndirect\n0.000000 -0.000000 0.000001 Sc\n0.500000 0.500002 0.500000 Sc\n0.750001 0.750001 0.750001 Tc\n0.250001 0.250001 0.250001 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tc",
"Au"
],
"chemical_system": "Au-Sc-Tc",
"density": 8.97510673818499,
"density_atomic": 0.056172918111360735,
"volume": 71.20869156325736,
"volume_molar": 10.720719098234007,
"formula_full": "Sc2 Tc1 Au1",
"formula_reduced": "Sc2TcAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6277723925,
"spacegroup": 225
},
{
"id": "jvasp-41887",
"created_at": "2022-09-04T14:37:35.524531Z",
"updated_at": "2022-09-04T14:37:35.524562Z",
"structure_string": "Sc2 Tc1 Ag1\n1.0\n-0.000003 3.301496 3.301503\n3.301501 0.000003 3.301497\n3.301509 3.301498 -0.000005\nSc Tc Ag\n2 1 1\ndirect\n0.000000 0.000001 -0.000000 Sc\n0.500001 0.500000 0.500000 Sc\n0.750001 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tc",
"Ag"
],
"chemical_system": "Ag-Sc-Tc",
"density": 6.824226688383961,
"density_atomic": 0.055577051017886084,
"volume": 71.97215265546745,
"volume_molar": 10.835660852285821,
"formula_full": "Sc2 Tc1 Ag1",
"formula_reduced": "Sc2TcAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.521997315,
"spacegroup": 225
},
{
"id": "jvasp-74684",
"created_at": "2022-09-04T14:36:17.270758Z",
"updated_at": "2022-09-04T14:36:17.270788Z",
"structure_string": "Sc2 Ta1 Be1\n1.0\n4.928108 0.000000 -0.000000\n0.000000 4.928108 -0.000000\n0.000000 -0.000000 3.041955\nSc Ta Be\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Sc\n0.500000 0.500000 0.500001 Ta\n0.000000 0.000000 0.500001 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ta",
"Be"
],
"chemical_system": "Be-Sc-Ta",
"density": 6.29064464693505,
"density_atomic": 0.05414355559539837,
"volume": 73.8776749331172,
"volume_molar": 11.122543936718886,
"formula_full": "Sc2 Ta1 Be1",
"formula_reduced": "Sc2TaBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5053664499999995,
"spacegroup": 123
},
{
"id": "jvasp-10108",
"created_at": "2022-09-04T14:37:52.691330Z",
"updated_at": "2022-09-04T14:37:52.691342Z",
"structure_string": "Sc4 S2 O4\n1.0\n1.769148 -3.064255 0.000000\n1.769148 3.064255 0.000000\n-0.000000 0.000000 12.575090\nSc S O\n4 2 4\ndirect\n0.333333 0.666668 0.392924 Sc\n0.666668 0.333333 0.892924 Sc\n0.666668 0.333333 0.607076 Sc\n0.333333 0.666668 0.107076 Sc\n0.000000 0.000000 0.750000 S\n0.000000 0.000000 0.250000 S\n0.666668 0.333333 0.434442 O\n0.333333 0.666668 0.934442 O\n0.333333 0.666668 0.565558 O\n0.666668 0.333333 0.065558 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"S",
"O"
],
"chemical_system": "O-S-Sc",
"density": 3.750601293260061,
"density_atomic": 0.07334488519577488,
"volume": 136.34215901091986,
"volume_molar": 8.210716730860616,
"formula_full": "Sc4 S2 O4",
"formula_reduced": "Sc2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.8844255,
"spacegroup": 194
},
{
"id": "jvasp-23721",
"created_at": "2022-09-04T14:37:37.173063Z",
"updated_at": "2022-09-04T14:37:37.173087Z",
"structure_string": "Sc4 Si2 B4 Ir10\n1.0\n9.247272 0.000000 -0.000000\n0.000000 9.247272 0.000000\n-0.000000 0.000000 3.139898\nSc Si B Ir\n4 2 4 10\ndirect\n0.175236 0.675236 0.000000 Sc\n0.675236 0.824763 0.000000 Sc\n0.324763 0.175236 0.000000 Sc\n0.824763 0.324763 0.000000 Sc\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.124020 0.375980 0.000000 B\n0.624020 0.124020 0.000000 B\n0.375980 0.875980 0.000000 B\n0.875980 0.624020 0.000000 B\n0.212266 0.929445 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.287733 0.429446 0.500000 Ir\n0.712267 0.570554 0.500000 Ir\n0.570554 0.287733 0.500000 Ir\n0.429446 0.712267 0.500000 Ir\n0.929445 0.787732 0.500000 Ir\n0.787732 0.070554 0.500000 Ir\n0.070554 0.212266 0.500000 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sc",
"Si",
"B",
"Ir"
],
"chemical_system": "B-Ir-Sc-Si",
"density": 13.61466504653186,
"density_atomic": 0.07448815049699087,
"volume": 268.49908161980676,
"volume_molar": 8.084696317226026,
"formula_full": "Sc4 Si2 B4 Ir10",
"formula_reduced": "Sc2SiB2Ir5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 4.758375976666668,
"spacegroup": 127
},
{
"id": "jvasp-21918",
"created_at": "2022-09-04T14:38:29.768283Z",
"updated_at": "2022-09-04T14:38:29.768312Z",
"structure_string": "Sc4 Si4 Ru2\n1.0\n3.968791 -0.000000 0.963030\n1.902950 5.033986 0.817164\n-0.003553 -0.013807 8.674148\nSc Si Ru\n4 4 2\ndirect\n0.817317 0.257615 0.107750 Sc\n0.005330 0.666495 0.322845 Sc\n0.182684 0.742385 0.892250 Sc\n0.994670 0.333505 0.677155 Sc\n0.485882 0.149423 0.878816 Si\n0.360221 0.714149 0.565409 Si\n0.514119 0.850578 0.121184 Si\n0.639780 0.285851 0.434590 Si\n0.729196 0.911359 0.630248 Ru\n0.270805 0.088641 0.369751 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Ru"
],
"chemical_system": "Ru-Sc-Si",
"density": 4.735388857221117,
"density_atomic": 0.05769138664864302,
"volume": 173.33610060203353,
"volume_molar": 10.438543966149666,
"formula_full": "Sc4 Si4 Ru2",
"formula_reduced": "Sc2Si2Ru",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.23231764,
"spacegroup": 12
},
{
"id": "jvasp-9725",
"created_at": "2022-09-04T14:37:19.460217Z",
"updated_at": "2022-09-04T14:37:19.460249Z",
"structure_string": "Sc2 Si2 O7\n1.0\n4.688281 0.001333 -0.634526\n-0.921840 5.113208 -1.402450\n-0.002214 0.003898 5.381592\nSc Si O\n2 2 7\ndirect\n0.000001 0.309475 0.690525 Sc\n0.000000 0.690526 0.309475 Sc\n0.408217 0.224835 0.224835 Si\n0.591783 0.775165 0.775164 Si\n0.786904 0.922086 0.605193 O\n0.213097 0.394806 0.077914 O\n0.213097 0.077914 0.394806 O\n0.786904 0.605194 0.922085 O\n0.500000 -0.000000 -0.000000 O\n0.278743 0.604756 0.604755 O\n0.721258 0.395245 0.395244 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Sc",
"Si",
"O"
],
"chemical_system": "O-Sc-Si",
"density": 3.3211709410055295,
"density_atomic": 0.08524772199589685,
"volume": 129.03570608642718,
"volume_molar": 7.064283501076848,
"formula_full": "Sc2 Si2 O7",
"formula_reduced": "Sc2Si2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8125674727272725,
"spacegroup": 12
},
{
"id": "jvasp-97834",
"created_at": "2022-09-04T14:35:48.298928Z",
"updated_at": "2022-09-04T14:35:48.298946Z",
"structure_string": "Sc4 Se6 O18\n1.0\n8.066422 0.000000 -0.000000\n-4.033211 6.985726 0.000000\n0.000000 0.000000 7.692224\nSc Se O\n4 6 18\ndirect\n0.333334 0.666667 0.454688 Sc\n0.666667 0.333333 0.954688 Sc\n0.666667 0.333333 0.545311 Sc\n0.333334 0.666667 0.045312 Sc\n0.706142 0.967026 0.750000 Se\n0.967026 0.260884 0.250000 Se\n0.032975 0.739117 0.750000 Se\n0.293858 0.032974 0.250000 Se\n0.260884 0.293858 0.750000 Se\n0.739116 0.706142 0.250000 Se\n0.232589 0.410140 0.576484 O\n0.410140 0.177551 0.076484 O\n0.878435 0.489422 0.750000 O\n0.389013 0.878436 0.250000 O\n0.410140 0.177551 0.423516 O\n0.610987 0.121565 0.750000 O\n0.121565 0.510578 0.250000 O\n0.177552 0.767411 0.576484 O\n0.822449 0.232589 0.076484 O\n0.767411 0.589860 0.076484 O\n0.589860 0.822449 0.576484 O\n0.589860 0.822449 0.923515 O\n0.767411 0.589860 0.423516 O\n0.822449 0.232589 0.423516 O\n0.177552 0.767411 0.923515 O\n0.232589 0.410140 0.923515 O\n0.510578 0.389013 0.750000 O\n0.489422 0.610987 0.250000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sc",
"Se",
"O"
],
"chemical_system": "O-Sc-Se",
"density": 3.6071035942167784,
"density_atomic": 0.06459718945271682,
"volume": 433.45539081843725,
"volume_molar": 9.322604916748004,
"formula_full": "Sc4 Se6 O18",
"formula_reduced": "Sc2(SeO3)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.60637015,
"spacegroup": 176
},
{
"id": "jvasp-96481",
"created_at": "2022-09-04T14:36:01.853395Z",
"updated_at": "2022-09-04T14:36:01.853415Z",
"structure_string": "Sc4 Se6 O18\n1.0\n8.095862 -0.000000 -0.000000\n-4.047931 7.011222 0.000000\n-0.000000 -0.000000 7.702280\nSc Se O\n4 6 18\ndirect\n0.333333 0.666667 0.454534 Sc\n0.666667 0.333333 0.954534 Sc\n0.666667 0.333333 0.545466 Sc\n0.333333 0.666667 0.045466 Sc\n0.705098 0.967054 0.750000 Se\n0.967054 0.261956 0.250000 Se\n0.032946 0.738044 0.750000 Se\n0.294902 0.032946 0.250000 Se\n0.261956 0.294902 0.750000 Se\n0.738044 0.705098 0.250000 Se\n0.236213 0.411903 0.577220 O\n0.411903 0.175690 0.077220 O\n0.877368 0.490451 0.750000 O\n0.386919 0.877368 0.250000 O\n0.411903 0.175690 0.422780 O\n0.613081 0.122631 0.750000 O\n0.122631 0.509549 0.250000 O\n0.175690 0.763787 0.577220 O\n0.824309 0.236213 0.077220 O\n0.763787 0.588097 0.077220 O\n0.588097 0.824309 0.577220 O\n0.588097 0.824309 0.922780 O\n0.763787 0.588097 0.422780 O\n0.824309 0.236213 0.422780 O\n0.175690 0.763787 0.922780 O\n0.236213 0.411903 0.922780 O\n0.509549 0.386919 0.750000 O\n0.490451 0.613081 0.250000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sc",
"Se",
"O"
],
"chemical_system": "O-Sc-Se",
"density": 3.576242055621781,
"density_atomic": 0.06404451093840421,
"volume": 437.1959374774433,
"volume_molar": 9.403055268533297,
"formula_full": "Sc4 Se6 O18",
"formula_reduced": "Sc2(SeO3)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.6071630071428573,
"spacegroup": 176
},
{
"id": "jvasp-100643",
"created_at": "2022-09-04T14:36:36.531491Z",
"updated_at": "2022-09-04T14:36:36.531512Z",
"structure_string": "Sc2 Se3\n1.0\n4.932911 -0.013043 -4.604051\n-0.477109 3.621230 -5.673635\n0.011480 0.013043 6.747650\nSc Se\n2 3\ndirect\n0.662190 0.162190 0.500000 Sc\n0.337810 0.837810 0.499999 Sc\n0.500000 0.500000 0.000000 Se\n0.176829 0.176830 0.000000 Se\n0.823170 0.823171 0.000000 Se\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Sc",
"Se"
],
"chemical_system": "Sc-Se",
"density": 4.481804040706657,
"density_atomic": 0.04129548663555219,
"volume": 121.07860706732515,
"volume_molar": 14.583048295683257,
"formula_full": "Sc2 Se3",
"formula_reduced": "Sc2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.6448941200000002,
"spacegroup": 71
}
]
}