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=-id&page=1539",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=1537",
"results": [
{
"id": "jvasp-5509",
"created_at": "2022-09-04T14:36:10.192765Z",
"updated_at": "2022-09-04T14:36:10.192790Z",
"structure_string": "Ga8 Br16\n1.0\n7.544973 0.000000 0.000000\n0.000000 9.914748 0.000000\n0.000000 0.000000 10.011802\nGa Br\n8 16\ndirect\n0.750000 0.000000 0.679309 Ga\n0.750000 0.500000 0.820690 Ga\n0.250000 0.000000 0.320690 Ga\n0.250000 0.500000 0.179310 Ga\n0.157125 0.250000 0.750000 Ga\n0.342875 0.750000 0.750000 Ga\n0.842875 0.750000 0.250000 Ga\n0.657125 0.250000 0.250000 Ga\n0.498489 0.545384 0.316752 Br\n0.498489 0.954617 0.183248 Br\n-0.001511 0.954617 0.816752 Br\n-0.001511 0.545384 0.683248 Br\n0.501511 0.454617 0.683248 Br\n0.501511 0.045384 0.816752 Br\n0.337390 0.185942 0.452619 Br\n0.662610 0.814058 0.547381 Br\n0.162610 0.685943 0.047381 Br\n0.162610 0.814058 0.452619 Br\n0.001511 0.454617 0.316752 Br\n0.662610 0.685943 0.952619 Br\n0.837390 0.314058 0.952619 Br\n0.837390 0.185942 0.547381 Br\n0.337390 0.314058 0.047381 Br\n0.001511 0.045384 0.183248 Br\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ga",
"Br"
],
"chemical_system": "Br-Ga",
"density": 4.071259741976256,
"density_atomic": 0.032044951547078725,
"volume": 748.9479260014011,
"volume_molar": 18.792790967877092,
"formula_full": "Ga8 Br16",
"formula_reduced": "GaBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 52
},
{
"id": "jvasp-55074",
"created_at": "2022-09-04T14:38:32.514194Z",
"updated_at": "2022-09-04T14:38:32.514219Z",
"structure_string": "Ba4 Li6 Ta2 N8\n1.0\n5.675742 0.000128 -0.000024\n2.837672 5.644427 0.007763\n2.837754 0.318950 9.736830\nBa Li Ta N\n4 6 2 8\ndirect\n0.067227 0.692634 0.111091 Ba\n0.932771 0.307367 0.888909 Ba\n0.370945 0.807369 0.388912 Ba\n0.629053 0.192632 0.611089 Ba\n0.111970 0.312216 0.544458 Li\n0.888028 0.687785 0.455542 Li\n0.468645 0.187783 0.955540 Li\n0.611316 0.750005 0.750001 Li\n0.388682 0.249996 0.249999 Li\n0.531353 0.812218 0.044460 Li\n0.867289 0.250005 0.250000 Ta\n0.132709 0.749996 0.750000 Ta\n0.938398 0.388787 0.386648 N\n0.061600 0.611214 0.613352 N\n0.741351 0.006462 0.338092 N\n0.258647 0.993539 0.661908 N\n0.585910 0.493539 0.161910 N\n0.213834 0.111223 0.113356 N\n0.414088 0.506462 0.838090 N\n0.786164 0.888778 0.886644 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Ta",
"N"
],
"chemical_system": "Ba-Li-N-Ta",
"density": 5.669218328837494,
"density_atomic": 0.0641200545882956,
"volume": 311.91489352928244,
"volume_molar": 9.39197696986876,
"formula_full": "Ba4 Li6 Ta2 N8",
"formula_reduced": "Ba2Li3TaN4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.362950414,
"spacegroup": 15
},
{
"id": "jvasp-5506",
"created_at": "2022-09-04T14:36:02.120132Z",
"updated_at": "2022-09-04T14:36:02.120158Z",
"structure_string": "Au4 Se4 Cl28\n1.0\n0.000000 8.376473 0.032525\n9.991076 0.000000 0.000000\n0.000000 -3.859421 -11.602832\nAu Se Cl\n4 4 28\ndirect\n0.776453 0.079684 0.945292 Au\n0.223546 0.579685 0.554707 Au\n0.223546 0.920316 0.054707 Au\n0.776453 0.420316 0.445293 Au\n0.757104 0.705430 0.003014 Se\n0.242895 0.205430 0.496986 Se\n0.242895 0.294570 0.996986 Se\n0.757104 0.794570 0.503014 Se\n0.937541 0.252152 0.053253 Cl\n0.731796 0.299572 0.278188 Cl\n0.268204 0.799572 0.221811 Cl\n0.268204 0.700428 0.721811 Cl\n0.731796 0.200428 0.778188 Cl\n0.717076 0.950344 0.368755 Cl\n0.282924 0.049657 0.631244 Cl\n0.282924 0.450344 0.131244 Cl\n0.062459 0.752153 0.446746 Cl\n0.894393 0.911602 0.656592 Cl\n0.105607 0.411602 0.843407 Cl\n0.717076 0.549657 0.868755 Cl\n0.062459 0.747848 0.946746 Cl\n0.184595 0.040725 0.883445 Cl\n0.815405 0.959276 0.116555 Cl\n0.184595 0.459276 0.383445 Cl\n0.105607 0.088399 0.343408 Cl\n0.815405 0.540725 0.616554 Cl\n0.613753 0.907855 0.838330 Cl\n0.386247 0.407855 0.661669 Cl\n0.386246 0.092145 0.161670 Cl\n0.613753 0.592146 0.338330 Cl\n0.507794 0.810299 0.528872 Cl\n0.492205 0.310299 0.971127 Cl\n0.492205 0.189702 0.471127 Cl\n0.507794 0.689702 0.028872 Cl\n0.937541 0.247848 0.553253 Cl\n0.894393 0.588399 0.156592 Cl\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Au",
"Se",
"Cl"
],
"chemical_system": "Au-Cl-Se",
"density": 3.5895917135696482,
"density_atomic": 0.037121568712647025,
"volume": 969.7866024647575,
"volume_molar": 16.22275396445815,
"formula_full": "Au4 Se4 Cl28",
"formula_reduced": "AuSeCl7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.2960166010185184,
"spacegroup": 14
},
{
"id": "jvasp-55032",
"created_at": "2022-09-04T14:38:32.196742Z",
"updated_at": "2022-09-04T14:38:32.196766Z",
"structure_string": "Ca4 Cl8\n1.0\n4.383541 0.000000 0.000000\n-0.000000 7.218093 0.000000\n0.000000 0.000000 8.676430\nCa Cl\n4 8\ndirect\n0.250000 0.757506 0.896690 Ca\n0.250000 0.257506 0.603310 Ca\n0.750000 0.242493 0.103310 Ca\n0.750000 0.742493 0.396690 Ca\n0.750000 0.141199 0.419687 Cl\n0.250000 0.358800 0.919687 Cl\n0.250000 -0.141199 0.580313 Cl\n0.750000 0.641199 0.080313 Cl\n0.750000 0.012901 0.839650 Cl\n0.250000 -0.012901 0.160350 Cl\n0.750000 0.512901 0.660350 Cl\n0.250000 0.487098 0.339650 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ca",
"Cl"
],
"chemical_system": "Ca-Cl",
"density": 2.6852260298767683,
"density_atomic": 0.04371119025243859,
"volume": 274.5292436718887,
"volume_molar": 13.77711456773711,
"formula_full": "Ca4 Cl8",
"formula_reduced": "CaCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0097866666666665,
"spacegroup": 62
},
{
"id": "jvasp-55030",
"created_at": "2022-09-04T14:38:31.803944Z",
"updated_at": "2022-09-04T14:38:31.803970Z",
"structure_string": "Dy12 Al8\n1.0\n8.211412 0.000000 0.000000\n-0.000000 8.211412 0.000000\n0.000000 0.000000 7.549840\nDy Al\n12 8\ndirect\n0.500000 0.000000 0.506190 Dy\n0.350479 0.649520 0.756197 Dy\n0.796992 0.796992 0.756209 Dy\n0.000000 0.500000 0.006190 Dy\n0.703008 0.296992 0.256209 Dy\n0.149521 0.149521 0.256196 Dy\n0.850479 0.850479 0.256196 Dy\n0.203008 0.203008 0.756209 Dy\n0.296992 0.703008 0.256209 Dy\n0.000000 0.500000 0.506190 Dy\n0.649520 0.350479 0.756197 Dy\n0.500000 0.000000 0.006190 Dy\n0.880665 0.119335 0.562153 Al\n0.619335 0.619335 0.062153 Al\n0.619341 0.619341 0.450250 Al\n0.119335 0.880665 0.562153 Al\n0.119341 0.880659 0.950250 Al\n0.380665 0.380665 0.062153 Al\n0.880659 0.119341 0.950250 Al\n0.380659 0.380659 0.450250 Al\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Dy",
"Al"
],
"chemical_system": "Al-Dy",
"density": 7.0648753209056,
"density_atomic": 0.03928769609652579,
"volume": 509.0652287388417,
"volume_molar": 15.328312317434511,
"formula_full": "Dy12 Al8",
"formula_reduced": "Dy3Al2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.55144502,
"spacegroup": 136
},
{
"id": "jvasp-5503",
"created_at": "2022-09-04T14:35:52.407980Z",
"updated_at": "2022-09-04T14:35:52.408000Z",
"structure_string": "Te2 Au2 Cl14\n1.0\n7.542840 0.171897 0.252868\n0.144380 7.512658 -0.075042\n-0.558678 -1.784864 8.868093\nTe Au Cl\n2 2 14\ndirect\n0.319498 0.224903 0.775220 Te\n0.680501 0.775099 0.224780 Te\n0.074355 0.781971 0.553420 Au\n0.925644 0.218030 0.446580 Au\n0.796876 0.675973 -0.017672 Cl\n0.203124 0.324028 0.017673 Cl\n0.101794 0.907097 0.809024 Cl\n0.898205 0.092904 0.190976 Cl\n0.777519 0.732442 0.576021 Cl\n0.222481 0.267560 0.423979 Cl\n0.951674 0.337085 0.703476 Cl\n0.579123 0.484691 0.231346 Cl\n0.371166 0.837582 0.533405 Cl\n0.628834 0.162419 0.466595 Cl\n0.408511 0.880684 0.131408 Cl\n0.591488 0.119318 0.868592 Cl\n0.048326 0.662916 0.296524 Cl\n0.420876 0.515311 0.768654 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Te",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Te",
"density": 3.7867989025550686,
"density_atomic": 0.035835212385016156,
"volume": 502.29924150041796,
"volume_molar": 16.8050929775375,
"formula_full": "Te2 Au2 Cl14",
"formula_reduced": "TeAuCl7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.2178804232407407,
"spacegroup": 2
},
{
"id": "jvasp-55029",
"created_at": "2022-09-04T14:37:49.204178Z",
"updated_at": "2022-09-04T14:37:49.204195Z",
"structure_string": "Al8 Bi4 Se16\n1.0\n7.836838 0.000000 0.000000\n0.000000 7.836838 0.000000\n0.000000 0.000000 12.583271\nAl Bi Se\n8 4 16\ndirect\n0.000000 0.500000 0.750000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.250000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.000000 0.250000 Al\n0.500000 0.000000 0.750000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.126323 Bi\n0.500000 0.500000 0.373677 Bi\n0.500000 0.500000 0.626323 Bi\n0.000000 0.000000 0.873677 Bi\n0.840547 0.673147 0.624698 Se\n0.159453 0.673147 0.375302 Se\n0.673147 0.840547 0.375302 Se\n0.173146 0.659453 0.875302 Se\n0.673147 0.159453 0.624698 Se\n0.826854 0.659453 0.124698 Se\n0.826854 0.340547 0.875302 Se\n0.326854 0.159453 0.375302 Se\n0.173146 0.340547 0.124698 Se\n0.326854 0.840547 0.624698 Se\n0.659453 0.826854 0.875302 Se\n0.840547 0.326854 0.375302 Se\n0.159453 0.326854 0.624698 Se\n0.340547 0.173146 0.875302 Se\n0.340547 0.826854 0.124698 Se\n0.659453 0.173146 0.124698 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"Bi",
"Se"
],
"chemical_system": "Al-Bi-Se",
"density": 4.974505609279474,
"density_atomic": 0.03623120204128415,
"volume": 772.8145471987104,
"volume_molar": 16.621421373593922,
"formula_full": "Al8 Bi4 Se16",
"formula_reduced": "Al2BiSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4909461952380954,
"spacegroup": 126
},
{
"id": "jvasp-55028",
"created_at": "2022-09-04T14:37:55.611154Z",
"updated_at": "2022-09-04T14:37:55.611185Z",
"structure_string": "Be12 Pt1\n1.0\n3.872380 -0.000000 1.608783\n1.936191 5.123838 0.804392\n-0.029614 0.000000 5.536127\nBe Pt\n12 1\ndirect\n0.000000 0.652073 0.347927 Be\n-0.000000 0.500000 -0.000000 Be\n0.652073 0.347927 0.347927 Be\n0.500001 0.226112 0.773888 Be\n0.000001 0.347927 0.652073 Be\n0.500000 0.000000 0.500000 Be\n0.347927 0.652073 0.652073 Be\n0.273888 0.226112 0.226112 Be\n0.500000 0.773889 0.226111 Be\n0.000000 -0.000000 0.500000 Be\n0.726112 0.773889 0.773888 Be\n0.500000 0.500000 -0.000000 Be\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Be",
"Pt"
],
"chemical_system": "Be-Pt",
"density": 4.573809210290149,
"density_atomic": 0.11808639653185543,
"volume": 110.08888730458526,
"volume_molar": 5.099775195846072,
"formula_full": "Be12 Pt1",
"formula_reduced": "Be12Pt",
"formula_anonymous": "AB12",
"energy_above_hull": 2.3256880461538465,
"spacegroup": 139
},
{
"id": "jvasp-55027",
"created_at": "2022-09-04T14:38:02.680565Z",
"updated_at": "2022-09-04T14:38:02.680574Z",
"structure_string": "Hf6 Al6 Pt6\n1.0\n3.551532 -6.151434 0.000000\n3.551532 6.151434 0.000000\n0.000000 0.000000 7.239342\nHf Al Pt\n6 6 6\ndirect\n0.412220 0.020233 0.750000 Hf\n0.391988 0.979767 0.250000 Hf\n0.608011 0.587780 0.750000 Hf\n0.020233 0.412220 0.250000 Hf\n0.587780 0.608011 0.250000 Hf\n0.979767 0.391988 0.750000 Hf\n0.740186 0.000000 0.500000 Al\n0.740186 0.000000 0.000000 Al\n0.000000 0.740186 0.500000 Al\n0.259813 0.259813 0.000000 Al\n0.259813 0.259813 0.500000 Al\n0.000000 0.740186 0.000000 Al\n0.333333 0.666667 0.526874 Pt\n0.666667 0.333333 0.473126 Pt\n0.000000 0.000000 0.750000 Pt\n0.666667 0.333333 0.026874 Pt\n0.333333 0.666667 0.973126 Pt\n0.000000 0.000000 0.250000 Pt\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Pt"
],
"chemical_system": "Al-Hf-Pt",
"density": 12.616587342416015,
"density_atomic": 0.056905116213355166,
"volume": 316.3160221395971,
"volume_molar": 10.582775610932947,
"formula_full": "Hf6 Al6 Pt6",
"formula_reduced": "HfAlPt",
"formula_anonymous": "ABC",
"energy_above_hull": 2.5448724,
"spacegroup": 190
},
{
"id": "jvasp-55025",
"created_at": "2022-09-04T14:37:59.677088Z",
"updated_at": "2022-09-04T14:37:59.677108Z",
"structure_string": "Hf6 Ga6 Pt6\n1.0\n3.576096 -6.193981 -0.000000\n3.576096 6.193981 0.000000\n-0.000000 -0.000000 7.073600\nHf Ga Pt\n6 6 6\ndirect\n0.615534 0.591837 0.750000 Hf\n0.023697 0.408164 0.250000 Hf\n0.591837 0.615534 0.250000 Hf\n0.384467 0.976304 0.250000 Hf\n0.408164 0.023697 0.750000 Hf\n0.976304 0.384467 0.750000 Hf\n0.268657 0.268657 0.500000 Ga\n0.268657 0.268657 0.000000 Ga\n0.731343 0.000000 0.000000 Ga\n0.731343 0.000000 0.500000 Ga\n0.000000 0.731343 0.500000 Ga\n0.000000 0.731343 0.000000 Ga\n0.666668 0.333334 0.468013 Pt\n0.000000 0.000000 0.250000 Pt\n0.666668 0.333334 0.031987 Pt\n0.333334 0.666668 0.968013 Pt\n0.333334 0.666668 0.531987 Pt\n0.000000 0.000000 0.750000 Pt\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Hf",
"Ga",
"Pt"
],
"chemical_system": "Ga-Hf-Pt",
"density": 14.094368082203887,
"density_atomic": 0.05744112990407007,
"volume": 313.3643093382915,
"volume_molar": 10.484022111085412,
"formula_full": "Hf6 Ga6 Pt6",
"formula_reduced": "HfGaPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9503155750000003,
"spacegroup": 190
},
{
"id": "jvasp-55024",
"created_at": "2022-09-04T14:37:43.502644Z",
"updated_at": "2022-09-04T14:37:43.502664Z",
"structure_string": "Yb6 Ag4\n1.0\n8.012258 0.000000 -0.000000\n0.000000 8.012258 -0.000000\n0.000000 0.000000 4.114712\nYb Ag\n6 4\ndirect\n0.338145 0.838145 0.500000 Yb\n0.838145 0.661855 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.661855 0.161855 0.500000 Yb\n0.161855 0.338145 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.867800 0.367799 0.000000 Ag\n0.132201 0.632201 0.000000 Ag\n0.367799 0.132201 0.000000 Ag\n0.632201 0.867800 0.000000 Ag\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Yb",
"Ag"
],
"chemical_system": "Ag-Yb",
"density": 9.239155573308743,
"density_atomic": 0.0378573932167098,
"volume": 264.1491965058524,
"volume_molar": 15.907436429991435,
"formula_full": "Yb6 Ag4",
"formula_reduced": "Yb3Ag2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.0218204137931034,
"spacegroup": 127
},
{
"id": "jvasp-55023",
"created_at": "2022-09-04T14:37:44.033742Z",
"updated_at": "2022-09-04T14:37:44.033762Z",
"structure_string": "Sm4 Mg3 Co2\n1.0\n0.000000 7.542864 -0.014700\n3.753562 0.000000 0.000000\n0.000000 -2.777900 -7.749114\nSm Mg Co\n4 3 2\ndirect\n0.602659 0.500000 0.822232 Sm\n0.095581 0.500000 0.724118 Sm\n0.397341 0.500000 0.177768 Sm\n0.904418 0.500000 0.275882 Sm\n0.704743 0.000000 0.497603 Mg\n0.000000 0.000000 0.000000 Mg\n0.295257 0.000000 0.502396 Mg\n0.651892 0.000000 0.108556 Co\n0.348107 0.000000 0.891443 Co\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Co"
],
"chemical_system": "Co-Mg-Sm",
"density": 5.991843153371662,
"density_atomic": 0.040992771735845916,
"volume": 219.55090175397916,
"volume_molar": 14.690738159415483,
"formula_full": "Sm4 Mg3 Co2",
"formula_reduced": "Sm4Mg3Co2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.314521605555556,
"spacegroup": 10
}
]
}