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=energy_above_hull&page=4626",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4624",
"results": [
{
"id": "jvasp-122088",
"created_at": "2022-09-04T14:38:53.152156Z",
"updated_at": "2022-09-04T14:38:53.152183Z",
"structure_string": "Ba6 Sm2 Ir4 O18\n1.0\n5.968171 0.000000 0.000000\n-2.984085 5.168587 0.000000\n-0.000000 -0.000000 14.835444\nBa Sm Ir O\n6 2 4 18\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.333333 0.666667 0.595626 Ba\n0.666666 0.333333 0.404374 Ba\n0.666666 0.333333 0.095626 Ba\n0.333333 0.666667 0.904374 Ba\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.165346 Ir\n0.666666 0.333333 0.834653 Ir\n0.666666 0.333333 0.665346 Ir\n0.333333 0.666667 0.334653 Ir\n0.177456 0.822544 0.411081 O\n0.354912 0.177456 0.588919 O\n0.822543 0.645089 0.588919 O\n0.822543 0.177456 0.588919 O\n0.354912 0.177456 0.911081 O\n0.822543 0.645089 0.911081 O\n0.822543 0.177456 0.911081 O\n0.645088 0.822544 0.088919 O\n0.014755 0.507378 0.250000 O\n0.177456 0.822544 0.088919 O\n0.985244 0.492622 0.750000 O\n0.507378 0.014756 0.750000 O\n0.507377 0.492622 0.750000 O\n0.177456 0.354912 0.411081 O\n0.492622 0.985245 0.250000 O\n0.492622 0.507378 0.250000 O\n0.177456 0.354912 0.088919 O\n0.645088 0.822544 0.411081 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Sm",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-O-Sm",
"density": 7.915866862494184,
"density_atomic": 0.06555527102125888,
"volume": 457.6291049162365,
"volume_molar": 9.186356285594613,
"formula_full": "Ba6 Sm2 Ir4 O18",
"formula_reduced": "Ba3SmIr2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": null,
"spacegroup": 194
},
{
"id": "jvasp-122907",
"created_at": "2022-09-04T14:38:52.944891Z",
"updated_at": "2022-09-04T14:38:52.944919Z",
"structure_string": "V1 In1\n1.0\n3.262917 0.000000 -0.000000\n0.000000 3.262917 0.000000\n0.000000 -0.000000 3.262917\nV In\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"In"
],
"chemical_system": "In-V",
"density": 7.923361039711204,
"density_atomic": 0.057572079416178625,
"volume": 34.73906136935484,
"volume_molar": 10.460175871826662,
"formula_full": "V1 In1",
"formula_reduced": "VIn",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-122951",
"created_at": "2022-09-04T14:38:54.378787Z",
"updated_at": "2022-09-04T14:38:54.378806Z",
"structure_string": "Nd1 V1\n1.0\n3.544401 0.000000 0.000000\n0.000000 3.544401 0.000000\n-0.000000 0.000000 3.544401\nNd V\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nd",
"V"
],
"chemical_system": "Nd-V",
"density": 7.278864715007407,
"density_atomic": 0.04491603839660638,
"volume": 44.52752449670872,
"volume_molar": 13.407551010676404,
"formula_full": "Nd1 V1",
"formula_reduced": "NdV",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-122084",
"created_at": "2022-09-04T14:38:53.041651Z",
"updated_at": "2022-09-04T14:38:53.041676Z",
"structure_string": "Fe6 P4 O20\n1.0\n7.212602 0.000000 0.000000\n-0.000000 6.331355 3.468191\n-0.000000 -0.054858 7.351044\nFe P O\n6 4 20\ndirect\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.220584 0.775310 0.744723 Fe\n0.720584 0.724688 0.255277 Fe\n0.779416 0.224689 0.255277 Fe\n0.279416 0.275310 0.744723 Fe\n0.638687 0.989076 0.748156 P\n0.138687 0.510922 0.251843 P\n0.361313 0.010923 0.251843 P\n0.861313 0.489077 0.748156 P\n0.720589 0.402119 0.930223 O\n0.855483 0.009228 0.195896 O\n0.355483 0.490772 0.804104 O\n0.256963 0.933477 0.454708 O\n0.756963 0.566521 0.545292 O\n0.743037 0.066521 0.545292 O\n0.243037 0.433478 0.454708 O\n0.220589 0.097880 0.069777 O\n0.779411 0.902118 0.930223 O\n0.482275 0.838467 0.248556 O\n0.017724 0.338467 0.248556 O\n0.517724 0.161532 0.751444 O\n0.982275 0.661532 0.751444 O\n0.644517 0.509227 0.195896 O\n0.014304 0.704772 0.209327 O\n0.514304 0.795226 0.790673 O\n0.985695 0.295227 0.790672 O\n0.485696 0.204772 0.209327 O\n0.279411 0.597880 0.069777 O\n0.144517 -0.009228 0.804104 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 3.8375230907702655,
"density_atomic": 0.08900448219449739,
"volume": 337.06167667424194,
"volume_molar": 6.766109539112979,
"formula_full": "Fe6 P4 O20",
"formula_reduced": "Fe3(PO5)2",
"formula_anonymous": "A2B3C10",
"energy_above_hull": null,
"spacegroup": 14
},
{
"id": "jvasp-122939",
"created_at": "2022-09-04T14:38:53.441742Z",
"updated_at": "2022-09-04T14:38:53.441771Z",
"structure_string": "Dy1 V1\n1.0\n3.455115 0.000000 0.000000\n0.000000 3.455115 0.000000\n-0.000000 -0.000000 3.455115\nDy V\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500001 0.500001 0.500001 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"V"
],
"chemical_system": "Dy-V",
"density": 8.592913515294468,
"density_atomic": 0.04848891592824507,
"volume": 41.24653978570365,
"volume_molar": 12.419623422622383,
"formula_full": "Dy1 V1",
"formula_reduced": "DyV",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-10961",
"created_at": "2022-09-04T14:37:15.619842Z",
"updated_at": "2022-09-04T14:37:15.619865Z",
"structure_string": "Li2 Au2 F8\n1.0\n4.871164 0.000000 -0.015510\n0.000000 6.387060 -0.000000\n2.175317 3.193531 4.997241\nLi Au F\n2 2 8\ndirect\n0.750020 0.661420 0.499989 Li\n0.250021 0.338591 0.499989 Li\n-0.000003 0.499980 0.000001 Au\n0.499996 0.000018 0.000001 Au\n0.826559 0.720536 0.751098 F\n0.326559 0.028367 0.751098 F\n0.823295 0.290256 0.717819 F\n0.323293 0.491925 0.717819 F\n0.176708 0.709766 0.282174 F\n0.676709 0.508060 0.282174 F\n0.173423 0.279435 0.248917 F\n0.673424 0.971650 0.248916 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Au",
"F"
],
"chemical_system": "Au-F-Li",
"density": 5.970603852280823,
"density_atomic": 0.07707538053644386,
"volume": 155.6917386132916,
"volume_molar": 7.813313042486411,
"formula_full": "Li2 Au2 F8",
"formula_reduced": "LiAuF4",
"formula_anonymous": "ABC4",
"energy_above_hull": null,
"spacegroup": 15
},
{
"id": "jvasp-30609",
"created_at": "2022-09-04T14:37:13.577433Z",
"updated_at": "2022-09-04T14:37:13.577460Z",
"structure_string": "Mg2 Sn2 F8\n1.0\n4.430175 -0.047247 -2.198891\n-0.949873 5.019634 -2.124156\n0.390606 0.632741 7.097970\nMg Sn F\n2 2 8\ndirect\n0.250153 0.173747 0.496198 Mg\n0.751265 0.648555 0.503695 Mg\n0.071708 0.580606 0.081128 Sn\n0.461896 0.005017 0.941763 Sn\n0.768043 0.513525 0.211434 F\n0.593783 0.236893 0.793199 F\n0.050900 0.441230 0.619172 F\n0.081844 0.931133 0.603705 F\n0.449062 0.869437 0.386350 F\n0.392798 0.383456 0.366190 F\n0.934108 0.985365 0.193703 F\n0.691769 0.743923 0.781117 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"F"
],
"chemical_system": "F-Mg-Sn",
"density": 4.29995814246623,
"density_atomic": 0.07094228726603354,
"volume": 169.15158028384405,
"volume_molar": 8.488788552047914,
"formula_full": "Mg2 Sn2 F8",
"formula_reduced": "MgSnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": null,
"spacegroup": 1
},
{
"id": "jvasp-52376",
"created_at": "2022-09-04T14:37:04.417774Z",
"updated_at": "2022-09-04T14:37:04.417788Z",
"structure_string": "Ca1 Pb1 I4\n1.0\n4.526581 0.001159 -0.020498\n-0.001811 7.920696 -0.025756\n-2.232994 -3.984685 6.980476\nCa Pb I\n1 1 4\ndirect\n0.500803 0.497214 -0.001205 Ca\n0.000801 0.997149 0.998721 Pb\n0.633146 0.951898 0.263172 I\n0.129828 0.469459 0.256602 I\n0.368495 0.042521 0.734357 I\n0.871737 0.524858 0.740911 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"I"
],
"chemical_system": "Ca-I-Pb",
"density": 5.0252215543195575,
"density_atomic": 0.02405305872970704,
"volume": 249.4485240910181,
"volume_molar": 25.036902074172698,
"formula_full": "Ca1 Pb1 I4",
"formula_reduced": "CaPbI4",
"formula_anonymous": "ABC4",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-123768",
"created_at": "2022-09-04T14:38:55.226670Z",
"updated_at": "2022-09-04T14:38:55.226692Z",
"structure_string": "Hf1 Ta1\n1.0\n1.511405 -2.617830 -0.000000\n1.511405 2.617830 -0.000000\n0.000000 0.000000 5.088104\nHf Ta\n1 1\ndirect\n0.333335 0.666668 0.749999 Hf\n0.666668 0.333335 0.250000 Ta\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Ta"
],
"chemical_system": "Hf-Ta",
"density": 14.823974910708252,
"density_atomic": 0.049673152738294604,
"volume": 40.263198322383445,
"volume_molar": 12.12353238725945,
"formula_full": "Hf1 Ta1",
"formula_reduced": "HfTa",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 187
},
{
"id": "jvasp-122894",
"created_at": "2022-09-04T14:38:55.227552Z",
"updated_at": "2022-09-04T14:38:55.227573Z",
"structure_string": "Sm3 Ta1\n1.0\n1.689448 -2.926210 0.000000\n1.689448 2.926210 0.000000\n0.000000 0.000000 11.313061\nSm Ta\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333333 0.666667 0.223126 Sm\n0.666667 0.333333 0.776874 Sm\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Ta"
],
"chemical_system": "Sm-Ta",
"density": 9.382636473234875,
"density_atomic": 0.03576016777060962,
"volume": 111.8562984843572,
"volume_molar": 16.840359359134343,
"formula_full": "Sm3 Ta1",
"formula_reduced": "Sm3Ta",
"formula_anonymous": "AB3",
"energy_above_hull": null,
"spacegroup": 164
},
{
"id": "jvasp-122099",
"created_at": "2022-09-04T14:38:55.243044Z",
"updated_at": "2022-09-04T14:38:55.243071Z",
"structure_string": "Rb1 Tm1 W2 O8\n1.0\n5.980666 -0.000000 0.000000\n-2.990332 5.179410 0.000000\n-0.000000 -0.000000 7.529387\nRb Tm W O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Tm\n0.333334 0.666667 0.242186 W\n0.666667 0.333333 0.757814 W\n0.168071 0.831930 0.320151 O\n0.831930 0.168070 0.679850 O\n0.168071 0.336141 0.320151 O\n0.831930 0.663859 0.679850 O\n0.663860 0.831930 0.320151 O\n0.336141 0.168070 0.679850 O\n0.333334 0.666667 0.007907 O\n0.666667 0.333333 0.992094 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Rb",
"Tm",
"W",
"O"
],
"chemical_system": "O-Rb-Tm-W",
"density": 5.3402994196816485,
"density_atomic": 0.051450759023033935,
"volume": 233.23271080661283,
"volume_molar": 11.704668452614966,
"formula_full": "Rb1 Tm1 W2 O8",
"formula_reduced": "RbTm(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": null,
"spacegroup": 164
},
{
"id": "jvasp-122952",
"created_at": "2022-09-04T14:38:55.242844Z",
"updated_at": "2022-09-04T14:38:55.242872Z",
"structure_string": "V1 Mo1\n1.0\n3.065689 -0.000000 0.000000\n0.000000 3.065689 0.000000\n-0.000000 0.000000 3.065689\nV Mo\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"Mo"
],
"chemical_system": "Mo-V",
"density": 8.465096430363953,
"density_atomic": 0.06941378222341435,
"volume": 28.812721853461674,
"volume_molar": 8.675713334013716,
"formula_full": "V1 Mo1",
"formula_reduced": "VMo",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
}
]
}