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=717",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=715",
"results": [
{
"id": "jvasp-26386",
"created_at": "2022-09-04T14:37:41.124770Z",
"updated_at": "2022-09-04T14:37:41.124797Z",
"structure_string": "Ba2 Bi2 I2 O4\n1.0\n0.000000 6.143065 0.000107\n5.928968 0.000000 0.000000\n0.000000 -3.071455 -7.041426\nBa Bi I O\n2 2 2 4\ndirect\n0.397253 0.250000 0.794506 Ba\n0.602747 0.750000 0.205494 Ba\n0.929733 0.750000 0.859464 Bi\n0.070267 0.250000 0.140537 Bi\n0.747224 0.250000 0.494449 I\n0.252776 0.750000 0.505551 I\n0.224018 0.500001 0.000001 O\n0.775982 0.499999 0.999999 O\n0.775982 0.000001 0.999999 O\n0.224018 -0.000001 0.000001 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"I",
"O"
],
"chemical_system": "Ba-Bi-I-O",
"density": 6.542294207430068,
"density_atomic": 0.038992264973433576,
"volume": 256.46112137402775,
"volume_molar": 15.444449723818396,
"formula_full": "Ba2 Bi2 I2 O4",
"formula_reduced": "BaBiIO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.7025447090000001,
"spacegroup": 63
},
{
"id": "jvasp-41399",
"created_at": "2022-09-04T14:37:28.119556Z",
"updated_at": "2022-09-04T14:37:28.119582Z",
"structure_string": "Ba8 Bi4 H2 O1\n1.0\n-5.277575 -0.000000 -0.000000\n-0.000000 -5.277575 -0.000000\n2.638789 2.638789 19.191023\nBa Bi H O\n8 4 2 1\ndirect\n0.500000 0.000000 0.000000 Ba\n0.000000 0.500000 0.000000 Ba\n0.083745 0.083745 0.167490 Ba\n0.659727 0.659727 0.319455 Ba\n0.750001 0.250000 0.500000 Ba\n0.250000 0.750001 0.500000 Ba\n0.340273 0.340273 0.680544 Ba\n0.916256 0.916256 0.832511 Ba\n0.567296 0.567296 0.134591 Bi\n0.179044 0.179044 0.358088 Bi\n0.820955 0.820955 0.641911 Bi\n0.432704 0.432704 0.865408 Bi\n0.729283 0.729283 0.458565 H\n0.270717 0.270717 0.541434 H\n0.000000 0.000000 0.000000 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"H",
"O"
],
"chemical_system": "Ba-Bi-H-O",
"density": 6.065756166465833,
"density_atomic": 0.028062367352825926,
"volume": 534.5236847414257,
"volume_molar": 21.4598457937782,
"formula_full": "Ba8 Bi4 H2 O1",
"formula_reduced": "Ba8Bi4H2O",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 0.6818938973333332,
"spacegroup": 139
},
{
"id": "jvasp-25821",
"created_at": "2022-09-04T14:37:37.709792Z",
"updated_at": "2022-09-04T14:37:37.709815Z",
"structure_string": "Ba12 Bi4 Cl12 O12\n1.0\n7.089871 0.000000 0.000000\n-0.000000 12.163112 0.000000\n0.000000 0.000000 12.084775\nBa Bi Cl O\n12 4 12 12\ndirect\n0.173696 0.068899 0.888523 Ba\n0.847769 0.750000 0.472815 Ba\n0.152231 0.250000 0.527184 Ba\n0.826304 0.931101 0.111477 Ba\n0.326304 0.568899 0.388523 Ba\n0.826304 0.568899 0.111477 Ba\n0.673696 0.431101 0.611476 Ba\n0.326304 0.931101 0.388523 Ba\n0.173696 0.431101 0.888523 Ba\n0.673696 0.068899 0.611476 Ba\n0.652231 0.250000 0.972815 Ba\n0.347769 0.750000 0.027185 Ba\n0.098190 0.250000 0.131818 Bi\n0.598190 0.250000 0.368182 Bi\n0.901810 0.750000 0.868182 Bi\n0.401810 0.750000 0.631818 Bi\n0.387370 0.495623 0.135746 Cl\n0.112630 0.995623 0.635745 Cl\n0.418495 0.250000 0.734062 Cl\n0.887370 0.495623 0.364254 Cl\n0.612630 0.504377 0.864254 Cl\n0.387370 0.004377 0.135746 Cl\n0.581505 0.750000 0.265938 Cl\n0.612630 0.995623 0.864254 Cl\n0.112630 0.504377 0.635745 Cl\n0.081505 0.750000 0.234062 Cl\n0.887370 0.004377 0.364254 Cl\n0.918495 0.250000 0.765938 Cl\n0.429528 0.126981 0.444463 O\n0.570472 0.873019 0.555536 O\n0.929528 0.373019 0.055537 O\n0.788980 0.250000 0.501243 O\n0.288980 0.250000 0.998757 O\n0.570472 0.626981 0.555536 O\n0.929528 0.126981 0.055537 O\n0.429528 0.373019 0.444463 O\n0.070472 0.873019 0.944463 O\n0.211020 0.750000 0.498757 O\n0.711020 0.750000 0.001243 O\n0.070472 0.626981 0.944463 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Cl",
"O"
],
"chemical_system": "Ba-Bi-Cl-O",
"density": 4.94160108463926,
"density_atomic": 0.03838295291993559,
"volume": 1042.1293036895172,
"volume_molar": 15.68962339234765,
"formula_full": "Ba12 Bi4 Cl12 O12",
"formula_reduced": "Ba3Bi(ClO)3",
"formula_anonymous": "AB3C3D3",
"energy_above_hull": 0.67276049125,
"spacegroup": 62
},
{
"id": "jvasp-85957",
"created_at": "2022-09-04T14:36:14.039030Z",
"updated_at": "2022-09-04T14:36:14.039055Z",
"structure_string": "Ba1 Bi4 Cl2 O6\n1.0\n3.966970 0.000000 -0.501521\n-0.063405 3.966463 -0.501521\n0.018483 0.018781 16.086112\nBa Bi Cl O\n1 4 2 6\ndirect\n0.499999 0.500000 0.000000 Ba\n0.211045 0.211045 0.422089 Bi\n0.788953 0.788954 0.577910 Bi\n0.910735 0.910736 0.821474 Bi\n0.089263 0.089263 0.178526 Bi\n0.332854 0.332854 0.665710 Cl\n0.667144 0.667145 0.334290 Cl\n0.441318 0.941319 0.882639 O\n0.058679 0.558680 0.117360 O\n0.558680 0.058680 0.117361 O\n0.941319 0.441319 0.882639 O\n0.249999 0.749999 0.500000 O\n0.749999 0.250000 0.500000 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Cl",
"O"
],
"chemical_system": "Ba-Bi-Cl-O",
"density": 7.477731279130345,
"density_atomic": 0.05134542305985946,
"volume": 253.18712409564444,
"volume_molar": 11.728680768642757,
"formula_full": "Ba1 Bi4 Cl2 O6",
"formula_reduced": "BaBi4(ClO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 1.5831471003846154,
"spacegroup": 139
},
{
"id": "jvasp-86556",
"created_at": "2022-09-04T14:36:09.566733Z",
"updated_at": "2022-09-04T14:36:09.566759Z",
"structure_string": "Ba1 Bi4 Cl2 O6\n1.0\n3.966950 0.000000 -0.501518\n-0.063405 3.966443 -0.501518\n0.018454 0.018752 16.085806\nBa Bi Cl O\n1 4 2 6\ndirect\n0.500001 0.500000 -0.000000 Ba\n0.211043 0.211043 0.422086 Bi\n0.788957 0.788955 0.577914 Bi\n0.910734 0.910733 0.821468 Bi\n0.089266 0.089266 0.178532 Bi\n0.332859 0.332858 0.665719 Cl\n0.667141 0.667140 0.334281 Cl\n0.441316 0.941315 0.882632 O\n0.058684 0.558683 0.117368 O\n0.558684 0.058684 0.117368 O\n0.941316 0.441315 0.882632 O\n0.250000 0.749999 0.500000 O\n0.750000 0.250000 0.500000 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Cl",
"O"
],
"chemical_system": "Ba-Bi-Cl-O",
"density": 7.477952329847152,
"density_atomic": 0.051346940892227126,
"volume": 253.17963980144205,
"volume_molar": 11.728334065002942,
"formula_full": "Ba1 Bi4 Cl2 O6",
"formula_reduced": "BaBi4(ClO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 1.5831471003846154,
"spacegroup": 139
},
{
"id": "jvasp-103728",
"created_at": "2022-09-04T14:36:43.346323Z",
"updated_at": "2022-09-04T14:36:43.346344Z",
"structure_string": "Ba1 Bi1 Cl1 O2\n1.0\n3.852805 -0.060044 -6.120099\n-0.371508 3.835322 -6.120099\n0.055368 0.060044 7.231642\nBa Bi Cl O\n1 1 1 2\ndirect\n0.864763 0.864763 0.000001 Ba\n0.166736 0.166736 0.000000 Bi\n0.488068 0.488068 0.000000 Cl\n0.740217 0.240216 0.500001 O\n0.240216 0.740216 0.499999 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Cl",
"O"
],
"chemical_system": "Ba-Bi-Cl-O",
"density": 6.270477035882924,
"density_atomic": 0.04563245404027774,
"volume": 109.57113977667565,
"volume_molar": 13.197056539375513,
"formula_full": "Ba1 Bi1 Cl1 O2",
"formula_reduced": "BaBiClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.7680902675000001,
"spacegroup": 107
},
{
"id": "jvasp-26412",
"created_at": "2022-09-04T14:37:44.361206Z",
"updated_at": "2022-09-04T14:37:44.361233Z",
"structure_string": "Ba2 Bi2 Cl2 O4\n1.0\n0.000000 5.951502 0.000643\n5.772932 0.000000 0.000000\n0.000000 -2.975059 -6.514197\nBa Bi Cl O\n2 2 2 4\ndirect\n0.380169 0.250000 0.760328 Ba\n0.619831 0.750000 0.239673 Ba\n0.077262 0.250000 0.154533 Bi\n0.922737 0.750000 0.845468 Bi\n0.746321 0.250000 0.492630 Cl\n0.253678 0.750000 0.507370 Cl\n0.228387 0.500005 -0.000004 O\n0.771613 0.499995 0.000004 O\n0.228387 -0.000005 -0.000004 O\n0.771613 0.000005 0.000004 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Cl",
"O"
],
"chemical_system": "Ba-Bi-Cl-O",
"density": 6.139942050216134,
"density_atomic": 0.04468250530432014,
"volume": 223.80123790939598,
"volume_molar": 13.477625569526309,
"formula_full": "Ba2 Bi2 Cl2 O4",
"formula_reduced": "BaBiClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.7538942675000001,
"spacegroup": 63
},
{
"id": "jvasp-110926",
"created_at": "2022-09-04T14:38:37.612070Z",
"updated_at": "2022-09-04T14:38:37.612094Z",
"structure_string": "Ba2 Bi2 Br2 O4\n1.0\n7.336809 0.035909 0.000000\n-4.887179 5.472251 0.000000\n-0.000000 -0.000000 5.834904\nBa Bi Br O\n2 2 2 4\ndirect\n0.613134 0.386866 0.250000 Ba\n0.386866 0.613134 0.750000 Ba\n0.925501 0.074499 0.250000 Bi\n0.074499 0.925501 0.750000 Bi\n0.253280 0.746720 0.250000 Br\n0.746720 0.253280 0.750000 Br\n0.226526 0.226526 -0.000000 O\n0.773474 0.773474 -0.000000 O\n0.773474 0.773474 0.500000 O\n0.226526 0.226526 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Br",
"O"
],
"chemical_system": "Ba-Bi-Br-O",
"density": 6.467593425089872,
"density_atomic": 0.04250097225880347,
"volume": 235.28873502249454,
"volume_molar": 14.16941881547804,
"formula_full": "Ba2 Bi2 Br2 O4",
"formula_reduced": "BaBiBrO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.7261562750000001,
"spacegroup": 63
},
{
"id": "jvasp-103727",
"created_at": "2022-09-04T14:36:39.959253Z",
"updated_at": "2022-09-04T14:36:39.959271Z",
"structure_string": "Ba1 Bi1 Br1 O2\n1.0\n3.908774 -0.048238 -6.295776\n-0.358782 3.892572 -6.295776\n0.044544 0.048238 7.410353\nBa Bi Br O\n1 1 1 2\ndirect\n0.857764 0.857764 -0.000002 Ba\n0.168485 0.168485 -0.000000 Bi\n0.494895 0.494895 -0.000001 Br\n0.739427 0.239428 0.499998 O\n0.239427 0.739428 0.499999 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Br",
"O"
],
"chemical_system": "Ba-Bi-Br-O",
"density": 6.61499923511802,
"density_atomic": 0.0434696308975004,
"volume": 115.0228308077838,
"volume_molar": 13.853673554762771,
"formula_full": "Ba1 Bi1 Br1 O2",
"formula_reduced": "BaBiBrO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.7444322750000002,
"spacegroup": 107
},
{
"id": "jvasp-86579",
"created_at": "2022-09-04T14:35:53.611665Z",
"updated_at": "2022-09-04T14:35:53.611693Z",
"structure_string": "Ba1 Bi4 Br2 O6\n1.0\n3.996942 0.000000 -0.499199\n-0.062348 3.996456 -0.499199\n0.039198 0.039814 16.564627\nBa Bi Br O\n1 4 2 6\ndirect\n0.499999 0.500000 -0.000000 Ba\n0.085901 0.085901 0.171802 Bi\n0.914098 0.914099 0.828198 Bi\n0.787583 0.787584 0.575168 Bi\n0.212416 0.212416 0.424832 Bi\n0.335771 0.335771 0.671542 Br\n0.664228 0.664229 0.328458 Br\n0.943325 0.443325 0.886651 O\n0.056674 0.556675 0.113349 O\n0.556674 0.056674 0.113349 O\n0.443325 0.943326 0.886651 O\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Br",
"O"
],
"chemical_system": "Ba-Bi-Br-O",
"density": 7.708581479845388,
"density_atomic": 0.049101878903416454,
"volume": 264.7556527433714,
"volume_molar": 12.264583137125099,
"formula_full": "Ba1 Bi4 Br2 O6",
"formula_reduced": "BaBi4(BrO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 1.5527355676923078,
"spacegroup": 139
},
{
"id": "jvasp-85981",
"created_at": "2022-09-04T14:35:53.699546Z",
"updated_at": "2022-09-04T14:35:53.699572Z",
"structure_string": "Ba1 Bi4 Br2 O6\n1.0\n3.996916 0.000000 -0.499196\n-0.062347 3.996430 -0.499196\n0.039139 0.039754 16.564044\nBa Bi Br O\n1 4 2 6\ndirect\n0.500000 0.500000 -0.000000 Ba\n0.085906 0.085906 0.171810 Bi\n0.914095 0.914093 0.828189 Bi\n0.787588 0.787587 0.575176 Bi\n0.212413 0.212412 0.424823 Bi\n0.335775 0.335774 0.671549 Br\n0.664226 0.664225 0.328450 Br\n0.943323 0.443321 0.886644 O\n0.056678 0.556678 0.113356 O\n0.556678 0.056678 0.113356 O\n0.443322 0.943321 0.886644 O\n0.250000 0.750000 0.500000 O\n0.750001 0.250000 0.500000 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Br",
"O"
],
"chemical_system": "Ba-Bi-Br-O",
"density": 7.7089598984057845,
"density_atomic": 0.04910428934201349,
"volume": 264.74265637884383,
"volume_molar": 12.263981091459303,
"formula_full": "Ba1 Bi4 Br2 O6",
"formula_reduced": "BaBi4(BrO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 1.5527355676923078,
"spacegroup": 139
},
{
"id": "jvasp-24259",
"created_at": "2022-09-04T14:37:42.997294Z",
"updated_at": "2022-09-04T14:37:42.997306Z",
"structure_string": "Ba4 Bi4 B4 O16\n1.0\n5.195169 0.000000 0.000000\n0.000000 8.603593 0.000000\n0.000000 0.000000 9.737007\nBa Bi B O\n4 4 4 16\ndirect\n0.749413 0.006596 0.183921 Ba\n0.249413 0.493404 0.683921 Ba\n0.249413 0.993404 0.816079 Ba\n0.749413 0.506596 0.316079 Ba\n0.249407 0.308028 0.064561 Bi\n0.749408 0.691972 0.935439 Bi\n0.749408 0.191972 0.564561 Bi\n0.249407 0.808028 0.435439 Bi\n0.249432 0.700496 0.059486 B\n0.749432 0.299504 0.940514 B\n0.749432 0.799504 0.559486 B\n0.249432 0.200496 0.440514 B\n0.749437 0.428579 0.587441 O\n0.484594 0.207202 0.374925 O\n0.749437 0.928579 0.912559 O\n0.249437 0.071420 0.087441 O\n0.014258 0.207165 0.374939 O\n0.514258 0.292835 0.874939 O\n0.249459 0.184379 0.583468 O\n0.749459 0.815621 0.416532 O\n0.249437 0.571420 0.412559 O\n0.984594 0.792798 0.625075 O\n0.014258 0.707165 0.125061 O\n0.514258 0.792835 0.625061 O\n0.984594 0.292798 0.874925 O\n0.484594 0.707202 0.125075 O\n0.249459 0.684379 0.916532 O\n0.749459 0.315621 0.083468 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"B",
"O"
],
"chemical_system": "B-Ba-Bi-O",
"density": 6.426963176978334,
"density_atomic": 0.06433584534221672,
"volume": 435.2161668361044,
"volume_molar": 9.360475063266659,
"formula_full": "Ba4 Bi4 B4 O16",
"formula_reduced": "BaBiBO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.0660252647619046,
"spacegroup": 62
}
]
}