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=-structure_string&page=32",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=30",
"results": [
{
"id": "jvasp-106284",
"created_at": "2022-09-04T14:38:40.021613Z",
"updated_at": "2022-09-04T14:38:40.021635Z",
"structure_string": "Zr2 Ni2 H2\n1.0\n5.566384 -0.013097 0.000000\n-4.518148 3.251329 -0.000000\n0.000000 0.000000 3.884868\nZr Ni H\n2 2 2\ndirect\n0.142643 0.857356 0.750000 Zr\n0.857355 0.142643 0.250000 Zr\n0.431778 0.568221 0.750000 Ni\n0.568220 0.431778 0.250000 Ni\n0.764011 0.235987 0.750000 H\n0.235987 0.764012 0.250000 H\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ni",
"H"
],
"chemical_system": "H-Ni-Zr",
"density": 7.152423405727785,
"density_atomic": 0.08561763161698968,
"volume": 70.07902328857902,
"volume_molar": 7.033762376119017,
"formula_full": "Zr2 Ni2 H2",
"formula_reduced": "ZrNiH",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1826356333333337,
"spacegroup": 63
},
{
"id": "jvasp-79797",
"created_at": "2022-09-04T14:36:51.049393Z",
"updated_at": "2022-09-04T14:36:51.049412Z",
"structure_string": "Zr2 Ni2\n1.0\n3.152576 -0.000000 -1.036793\n-0.000000 4.056367 -0.000000\n-0.020367 0.000000 5.249480\nZr Ni\n2 2\ndirect\n0.639131 0.250000 0.278261 Zr\n0.360869 0.750001 0.721740 Zr\n0.916056 0.250000 0.832111 Ni\n0.083945 0.750001 0.167889 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Ni"
],
"chemical_system": "Ni-Zr",
"density": 7.426198266074885,
"density_atomic": 0.05966166873948685,
"volume": 67.04472208891829,
"volume_molar": 10.093818840863678,
"formula_full": "Zr2 Ni2",
"formula_reduced": "ZrNi",
"formula_anonymous": "AB",
"energy_above_hull": 1.5226334499999998,
"spacegroup": 63
},
{
"id": "jvasp-50465",
"created_at": "2022-09-04T14:36:13.480963Z",
"updated_at": "2022-09-04T14:36:13.480979Z",
"structure_string": "Zr2 Nb2 O8\n1.0\n-2.785551 5.278024 2.577078\n2.358486 -5.278024 2.542680\n2.785551 5.278024 -2.577078\nZr Nb O\n2 2 8\ndirect\n0.381918 0.750001 0.131918 Zr\n0.618082 0.250000 0.868082 Zr\n0.852245 0.750001 0.602246 Nb\n0.147754 0.250000 0.397755 Nb\n0.008828 0.717498 0.266629 O\n0.450869 0.217498 0.208670 O\n0.760697 0.806235 0.114305 O\n0.691930 0.306235 0.545537 O\n0.308070 0.693766 0.454463 O\n0.239303 0.193766 0.885695 O\n0.549131 0.782503 0.791331 O\n0.991172 0.282503 0.733372 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Nb",
"O"
],
"chemical_system": "Nb-O-Zr",
"density": 5.931605644105624,
"density_atomic": 0.08637711265120265,
"volume": 138.92569028623257,
"volume_molar": 6.971917184032143,
"formula_full": "Zr2 Nb2 O8",
"formula_reduced": "ZrNbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.0825063166666675,
"spacegroup": 15
},
{
"id": "jvasp-29357",
"created_at": "2022-09-04T14:38:05.902287Z",
"updated_at": "2022-09-04T14:38:05.902308Z",
"structure_string": "Zr2 N2 Cl2\n1.0\n3.560170 0.001151 8.786030\n1.713397 3.120749 8.786030\n0.001945 0.001151 9.479933\nZr N Cl\n2 2 2\ndirect\n0.119091 0.119091 0.119091 Zr\n0.880909 0.880909 0.880909 Zr\n0.197782 0.197782 0.197782 N\n0.802218 0.802218 0.802218 N\n0.387325 0.387325 0.387325 Cl\n0.612675 0.612675 0.612675 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"N",
"Cl"
],
"chemical_system": "Cl-N-Zr",
"density": 4.4397866775067305,
"density_atomic": 0.057015177292517906,
"volume": 105.23513711475171,
"volume_molar": 10.562346810048917,
"formula_full": "Zr2 N2 Cl2",
"formula_reduced": "ZrNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1686739391666663,
"spacegroup": 166
},
{
"id": "jvasp-12136",
"created_at": "2022-09-04T14:37:09.964167Z",
"updated_at": "2022-09-04T14:37:09.964185Z",
"structure_string": "Zr2 N2 Cl2\n1.0\n3.555333 -0.001937 8.812332\n1.709102 3.117590 8.812332\n-0.003274 -0.001937 9.502504\nZr N Cl\n2 2 2\ndirect\n0.785872 0.785870 0.785871 Zr\n0.214129 0.214128 0.214129 Zr\n0.864371 0.864369 0.864371 N\n0.135629 0.135629 0.135629 N\n0.387592 0.387591 0.387592 Cl\n0.612408 0.612407 0.612408 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"N",
"Cl"
],
"chemical_system": "Cl-N-Zr",
"density": 4.429505239013989,
"density_atomic": 0.0568831443636712,
"volume": 105.47940109710144,
"volume_molar": 10.586863344787389,
"formula_full": "Zr2 N2 Cl2",
"formula_reduced": "ZrNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1687672725,
"spacegroup": 166
},
{
"id": "jvasp-29888",
"created_at": "2022-09-04T14:37:32.114041Z",
"updated_at": "2022-09-04T14:37:32.114064Z",
"structure_string": "Zr2 N2 Cl2\n1.0\n3.443504 -0.000139 0.000390\n-1.721873 2.982257 0.000358\n0.001344 0.002314 11.162792\nZr N Cl\n2 2 2\ndirect\n-0.000161 -0.000114 0.803679 Zr\n0.000159 0.000113 0.196321 Zr\n0.666431 0.333143 0.859666 N\n0.333567 0.666857 0.140334 N\n0.333392 0.666727 0.637239 Cl\n0.666606 0.333272 0.362761 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"N",
"Cl"
],
"chemical_system": "Cl-N-Zr",
"density": 4.0758156118495235,
"density_atomic": 0.0523411070397899,
"volume": 114.63265374648607,
"volume_molar": 11.505566275894676,
"formula_full": "Zr2 N2 Cl2",
"formula_reduced": "ZrNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.2557539391666666,
"spacegroup": 164
},
{
"id": "jvasp-115896",
"created_at": "2022-09-04T14:38:44.232367Z",
"updated_at": "2022-09-04T14:38:44.232386Z",
"structure_string": "Zr2 N2 Cl2\n1.0\n3.436807 -0.000000 -0.000000\n-1.718404 2.976362 -0.000000\n-0.000000 0.000000 11.121467\nZr N Cl\n2 2 2\ndirect\n0.000000 0.000000 0.804268 Zr\n0.000000 0.000000 0.195732 Zr\n0.666667 0.333333 0.860669 N\n0.333334 0.666665 0.139331 N\n0.333334 0.666665 0.636910 Cl\n0.666667 0.333333 0.363090 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"N",
"Cl"
],
"chemical_system": "Cl-N-Zr",
"density": 4.106954599950484,
"density_atomic": 0.05274098997476976,
"volume": 113.76350733784635,
"volume_molar": 11.418330908996726,
"formula_full": "Zr2 N2 Cl2",
"formula_reduced": "ZrNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.250487272499999,
"spacegroup": 164
},
{
"id": "jvasp-29945",
"created_at": "2022-09-04T14:38:13.838079Z",
"updated_at": "2022-09-04T14:38:13.838102Z",
"structure_string": "Zr2 N2 Cl2\n1.0\n3.355092 0.000000 -0.000000\n-1.677546 2.905595 0.000000\n-0.000000 0.000000 11.595861\nZr N Cl\n2 2 2\ndirect\n0.000000 -0.000000 0.194675 Zr\n0.000000 -0.000000 0.805325 Zr\n0.666666 0.333332 0.127225 N\n0.333332 0.666666 0.872775 N\n0.333332 0.666666 0.633855 Cl\n0.666666 0.333332 0.366145 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"N",
"Cl"
],
"chemical_system": "Cl-N-Zr",
"density": 4.133142331284776,
"density_atomic": 0.05307728949845587,
"volume": 113.04269785996802,
"volume_molar": 11.345983973381303,
"formula_full": "Zr2 N2 Cl2",
"formula_reduced": "ZrNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3423472725,
"spacegroup": 164
},
{
"id": "jvasp-36520",
"created_at": "2022-09-04T14:37:35.769816Z",
"updated_at": "2022-09-04T14:37:35.769841Z",
"structure_string": "Zr2 N2\n1.0\n3.194797 0.000000 0.000000\n-1.597399 2.766752 0.004768\n0.000000 -0.009286 5.514158\nZr N\n2 2\ndirect\n0.021368 0.042736 0.005395 Zr\n0.688032 0.376062 0.505400 Zr\n0.354699 0.709399 0.255397 N\n0.354699 0.709398 0.755399 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 7.170139175590354,
"density_atomic": 0.08206652127015673,
"volume": 48.74094744228654,
"volume_molar": 7.3381211568302875,
"formula_full": "Zr2 N2",
"formula_reduced": "ZrN",
"formula_anonymous": "AB",
"energy_above_hull": 2.205898875,
"spacegroup": 194
},
{
"id": "jvasp-17177",
"created_at": "2022-09-04T14:38:14.714035Z",
"updated_at": "2022-09-04T14:38:14.714070Z",
"structure_string": "Zr2 N2\n1.0\n1.892145 -3.277291 0.000000\n1.892145 3.277291 -0.000000\n0.000000 0.000000 4.607321\nZr N\n2 2\ndirect\n0.333332 0.666666 0.438100 Zr\n0.666666 0.333332 0.938100 Zr\n0.333332 0.666666 0.938100 N\n0.666666 0.333332 0.438100 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 6.116087156948264,
"density_atomic": 0.07000226696638717,
"volume": 57.14100661798097,
"volume_molar": 8.602779625539323,
"formula_full": "Zr2 N2",
"formula_reduced": "ZrN",
"formula_anonymous": "AB",
"energy_above_hull": 2.270273874999999,
"spacegroup": 194
},
{
"id": "jvasp-13861",
"created_at": "2022-09-04T14:37:15.414227Z",
"updated_at": "2022-09-04T14:37:15.414258Z",
"structure_string": "Zr2 N2\n1.0\n1.891993 -3.277028 0.000000\n1.891993 3.277028 -0.000000\n-0.000000 -0.000000 4.607941\nZr N\n2 2\ndirect\n0.333332 0.666666 0.438096 Zr\n0.666666 0.333332 0.938096 Zr\n0.333332 0.666666 0.938103 N\n0.666666 0.333332 0.438104 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 6.116246350836423,
"density_atomic": 0.07000408903542778,
"volume": 57.139519349729326,
"volume_molar": 8.602555712070341,
"formula_full": "Zr2 N2",
"formula_reduced": "ZrN",
"formula_anonymous": "AB",
"energy_above_hull": 2.270488875,
"spacegroup": 194
},
{
"id": "jvasp-36667",
"created_at": "2022-09-04T14:37:10.020101Z",
"updated_at": "2022-09-04T14:37:10.020121Z",
"structure_string": "Zr2 N2\n1.0\n1.603135 -2.776711 -0.000000\n1.603135 2.776711 0.000000\n0.000000 -0.000000 5.695477\nZr N\n2 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.333332 0.666665 0.250000 N\n0.666665 0.333332 0.750000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 6.892244537393419,
"density_atomic": 0.07888585131690252,
"volume": 50.70617776476905,
"volume_molar": 7.633993497525535,
"formula_full": "Zr2 N2",
"formula_reduced": "ZrN",
"formula_anonymous": "AB",
"energy_above_hull": 2.352603875,
"spacegroup": 194
}
]
}