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_anonymous&page=394",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=392",
"results": [
{
"id": "jvasp-118812",
"created_at": "2022-09-04T14:38:48.716347Z",
"updated_at": "2022-09-04T14:38:48.716371Z",
"structure_string": "Na1 Zn1\n1.0\n4.203716 0.000000 0.000000\n0.000000 4.203716 -0.000000\n0.000000 -0.000000 3.029508\nNa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"Zn"
],
"chemical_system": "Na-Zn",
"density": 2.7419307178215817,
"density_atomic": 0.03735864849044129,
"volume": 53.53512722794902,
"volume_molar": 16.119803588560877,
"formula_full": "Na1 Zn1",
"formula_reduced": "NaZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.5989760526315789,
"spacegroup": 123
},
{
"id": "jvasp-113617",
"created_at": "2022-09-04T14:38:48.624528Z",
"updated_at": "2022-09-04T14:38:48.624556Z",
"structure_string": "Cu1 N1\n1.0\n3.215759 -0.000000 0.000000\n-1.607879 2.784929 -0.000000\n-0.000000 0.000000 2.607377\nCu N\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.333334 0.666667 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"N"
],
"chemical_system": "Cu-N",
"density": 5.514987954871809,
"density_atomic": 0.0856502320755304,
"volume": 23.35078319736841,
"volume_molar": 7.031085163539772,
"formula_full": "Cu1 N1",
"formula_reduced": "CuN",
"formula_anonymous": "AB",
"energy_above_hull": 2.11127685,
"spacegroup": 187
},
{
"id": "jvasp-114314",
"created_at": "2022-09-04T14:38:40.521452Z",
"updated_at": "2022-09-04T14:38:40.521489Z",
"structure_string": "In1 S1\n1.0\n4.503598 -0.000000 -0.000000\n-2.251799 3.900230 -0.000000\n-0.000000 -0.000000 3.872596\nIn S\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.333332 0.666666 0.000000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"S"
],
"chemical_system": "In-S",
"density": 3.585655843291617,
"density_atomic": 0.029402074048978866,
"volume": 68.0224121831793,
"volume_molar": 20.48202705009223,
"formula_full": "In1 S1",
"formula_reduced": "InS",
"formula_anonymous": "AB",
"energy_above_hull": 0.4379299849999999,
"spacegroup": 187
},
{
"id": "jvasp-114361",
"created_at": "2022-09-04T14:38:40.362244Z",
"updated_at": "2022-09-04T14:38:40.362269Z",
"structure_string": "Ti1 N1\n1.0\n2.850498 0.000000 0.000000\n-0.000000 2.850498 -0.000000\n-0.000000 0.000000 3.273488\nTi N\n1 1\ndirect\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"N"
],
"chemical_system": "N-Ti",
"density": 3.862806471034681,
"density_atomic": 0.07519306039641621,
"volume": 26.59819921487492,
"volume_molar": 8.008904981724914,
"formula_full": "Ti1 N1",
"formula_reduced": "TiN",
"formula_anonymous": "AB",
"energy_above_hull": 2.411955791666667,
"spacegroup": 123
},
{
"id": "jvasp-113657",
"created_at": "2022-09-04T14:38:48.095141Z",
"updated_at": "2022-09-04T14:38:48.095163Z",
"structure_string": "K1 Zn1\n1.0\n3.369300 -1.861223 -0.277971\n3.703029 -8.864144 -1.033822\n1.671391 -4.437697 -3.497895\nK Zn\n1 1\ndirect\n0.163979 0.884663 0.156687 K\n0.664051 0.384615 0.156732 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Zn"
],
"chemical_system": "K-Zn",
"density": 2.530897486367875,
"density_atomic": 0.029168145990384652,
"volume": 68.56795082756733,
"volume_molar": 20.64629257541845,
"formula_full": "K1 Zn1",
"formula_reduced": "KZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 47
},
{
"id": "jvasp-116336",
"created_at": "2022-09-04T14:38:40.886507Z",
"updated_at": "2022-09-04T14:38:40.886535Z",
"structure_string": "Mn1 F1\n1.0\n2.724284 -0.184106 -0.487046\n-1.524737 -2.286519 -0.056971\n1.088181 -1.473246 -4.220012\nMn F\n1 1\ndirect\n0.145274 0.820509 0.064209 Mn\n0.645420 0.320644 0.564193 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 4.921119177946927,
"density_atomic": 0.08016525845658175,
"volume": 24.948463193481984,
"volume_molar": 7.512157854841381,
"formula_full": "Mn1 F1",
"formula_reduced": "MnF",
"formula_anonymous": "AB",
"energy_above_hull": 0.7671787619396551,
"spacegroup": 12
},
{
"id": "jvasp-117864",
"created_at": "2022-09-04T14:38:48.546692Z",
"updated_at": "2022-09-04T14:38:48.546718Z",
"structure_string": "Pb1 Br1\n1.0\n3.483940 -0.318547 -0.017561\n-0.666519 -3.902780 0.261654\n-0.055192 -0.313011 -4.800790\nPb Br\n1 1\ndirect\n0.966946 0.481741 0.491578 Pb\n0.968339 0.981636 0.991629 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 7.159881411016936,
"density_atomic": 0.030036372671193717,
"volume": 66.58593638765487,
"volume_molar": 20.049494078143177,
"formula_full": "Pb1 Br1",
"formula_reduced": "PbBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.012880205,
"spacegroup": 10
},
{
"id": "jvasp-113423",
"created_at": "2022-09-04T14:38:49.130412Z",
"updated_at": "2022-09-04T14:38:49.130430Z",
"structure_string": "Na1 F1\n1.0\n2.814804 -0.000000 0.000000\n-0.000000 2.814997 -0.000000\n-0.000000 -0.000000 2.814997\nNa F\n1 1\ndirect\n0.010060 0.000000 0.000000 Na\n0.509939 0.500000 0.500000 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"F"
],
"chemical_system": "F-Na",
"density": 3.125878099821761,
"density_atomic": 0.08966562158045756,
"volume": 22.305092684885775,
"volume_molar": 6.716220390661423,
"formula_full": "Na1 F1",
"formula_reduced": "NaF",
"formula_anonymous": "AB",
"energy_above_hull": 0.07356,
"spacegroup": 221
},
{
"id": "jvasp-115197",
"created_at": "2022-09-04T14:38:45.256753Z",
"updated_at": "2022-09-04T14:38:45.256786Z",
"structure_string": "Li2 I2\n1.0\n4.516823 -0.187116 -0.323268\n-2.379579 -3.775210 0.003035\n1.717605 -3.442548 -7.627345\nLi I\n2 2\ndirect\n0.072502 -0.004736 0.055908 Li\n0.905578 0.161172 0.555917 Li\n0.443703 0.372383 0.680008 I\n0.288027 0.547746 0.180032 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"I"
],
"chemical_system": "I-Li",
"density": 3.452268792215537,
"density_atomic": 0.031065748605853826,
"volume": 128.75916980948807,
"volume_molar": 19.385146118336987,
"formula_full": "Li2 I2",
"formula_reduced": "LiI",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-112259",
"created_at": "2022-09-04T14:38:45.320641Z",
"updated_at": "2022-09-04T14:38:45.320665Z",
"structure_string": "H12 C12\n1.0\n5.201780 0.000000 -1.923304\n0.000000 5.487194 0.000000\n-0.046546 0.000000 7.670375\nH C\n12 12\ndirect\n0.960383 0.959895 0.203741 H\n0.182642 0.814322 0.512389 H\n0.182643 0.685676 0.012389 H\n0.817356 0.314323 0.987612 H\n0.639887 0.853399 0.716074 H\n0.360112 0.146600 0.283927 H\n0.817357 0.185677 0.487612 H\n0.639888 0.646600 0.216073 H\n0.960383 0.540104 0.703742 H\n0.039616 0.459895 0.296259 H\n0.039616 0.040105 0.796260 H\n0.360111 0.353399 0.783928 H\n0.321675 0.823536 0.006013 C\n0.678325 0.176464 0.993988 C\n0.579822 0.698736 0.620913 C\n0.420177 0.301263 0.379088 C\n0.420177 0.198737 0.879088 C\n0.758208 0.522210 0.614674 C\n0.241791 0.477790 0.385327 C\n0.241791 0.022210 0.885328 C\n0.758208 0.977789 0.114673 C\n0.321674 0.676463 0.506014 C\n0.579822 0.801263 0.120913 C\n0.678325 0.323536 0.493987 C\n",
"nsites": 24,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.1875518576404638,
"density_atomic": 0.10986715123825218,
"volume": 218.44563847800924,
"volume_molar": 5.481293263844349,
"formula_full": "H12 C12",
"formula_reduced": "HC",
"formula_anonymous": "AB",
"energy_above_hull": 2.864,
"spacegroup": 14
},
{
"id": "jvasp-115187",
"created_at": "2022-09-04T14:38:45.171922Z",
"updated_at": "2022-09-04T14:38:45.171949Z",
"structure_string": "Ba1 Li1\n1.0\n3.612511 0.000000 -0.000000\n0.000000 3.612511 0.000000\n-0.000000 0.000000 7.091582\nBa Li\n1 1\ndirect\n0.000000 0.000000 0.249961 Ba\n0.000000 0.000000 0.750038 Li\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Li"
],
"chemical_system": "Ba-Li",
"density": 2.5885563484164265,
"density_atomic": 0.021610683867167257,
"volume": 92.54681676402504,
"volume_molar": 27.866497872144322,
"formula_full": "Ba1 Li1",
"formula_reduced": "BaLi",
"formula_anonymous": "AB",
"energy_above_hull": 0.346417985,
"spacegroup": 123
},
{
"id": "jvasp-57453",
"created_at": "2022-09-04T14:38:34.081283Z",
"updated_at": "2022-09-04T14:38:34.081313Z",
"structure_string": "Pt2 S2\n1.0\n3.509759 -0.000000 0.000000\n0.000000 3.509759 0.000000\n0.000000 0.000000 6.161982\nPt S\n2 2\ndirect\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.250000 S\n0.000000 0.000000 0.750000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pt",
"S"
],
"chemical_system": "Pt-S",
"density": 9.938364119305302,
"density_atomic": 0.05269688853683962,
"volume": 75.90580983170683,
"volume_molar": 11.427886782708264,
"formula_full": "Pt2 S2",
"formula_reduced": "PtS",
"formula_anonymous": "AB",
"energy_above_hull": 1.2863056999999998,
"spacegroup": 131
}
]
}