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_full&page=1537",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=1535",
"results": [
{
"id": "jvasp-15470",
"created_at": "2022-09-04T14:36:53.794125Z",
"updated_at": "2022-09-04T14:36:53.794148Z",
"structure_string": "Hf4 Sn2 C2\n1.0\n1.671064 -2.894367 -0.000000\n1.671064 2.894367 -0.000000\n-0.000000 -0.000000 14.439175\nHf Sn C\n4 2 2\ndirect\n0.333332 0.666666 0.084662 Hf\n0.666666 0.333332 0.584662 Hf\n0.666666 0.333332 0.915338 Hf\n0.333332 0.666666 0.415338 Hf\n0.333332 0.666666 0.750000 Sn\n0.666666 0.333332 0.250000 Sn\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Sn",
"C"
],
"chemical_system": "C-Hf-Sn",
"density": 11.596139072793022,
"density_atomic": 0.05727576916992612,
"volume": 139.67512118895425,
"volume_molar": 10.514290505874264,
"formula_full": "Hf4 Sn2 C2",
"formula_reduced": "Hf2SnC",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.146794425,
"spacegroup": 194
},
{
"id": "jvasp-14395",
"created_at": "2022-09-04T14:38:08.807043Z",
"updated_at": "2022-09-04T14:38:08.807063Z",
"structure_string": "Hf4 Sn2 C2\n1.0\n1.671064 -2.894367 -0.000000\n1.671064 2.894367 0.000000\n-0.000000 0.000000 14.439172\nHf Sn C\n4 2 2\ndirect\n0.333332 0.666666 0.084662 Hf\n0.666666 0.333332 0.584662 Hf\n0.666666 0.333332 0.915338 Hf\n0.333332 0.666666 0.415338 Hf\n0.333332 0.666666 0.750000 Sn\n0.666666 0.333332 0.250000 Sn\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Sn",
"C"
],
"chemical_system": "C-Hf-Sn",
"density": 11.596141482101341,
"density_atomic": 0.057275781070006505,
"volume": 139.67509216891926,
"volume_molar": 10.51428832134007,
"formula_full": "Hf4 Sn2 C2",
"formula_reduced": "Hf2SnC",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.146794425,
"spacegroup": 194
},
{
"id": "jvasp-18045",
"created_at": "2022-09-04T14:37:27.447358Z",
"updated_at": "2022-09-04T14:37:27.447395Z",
"structure_string": "Hf4 Sn4\n1.0\n5.657046 -0.000000 -0.000000\n-0.000000 5.657046 -0.000000\n-0.000000 -0.000000 5.657046\nHf Sn\n4 4\ndirect\n0.856540 0.643461 0.356540 Hf\n0.643461 0.356540 0.856540 Hf\n0.356540 0.856540 0.643461 Hf\n0.143461 0.143461 0.143461 Hf\n0.156813 0.343187 0.656813 Sn\n0.343187 0.656813 0.156813 Sn\n0.656813 0.156813 0.343187 Sn\n0.843188 0.843188 0.843188 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hf",
"Sn"
],
"chemical_system": "Hf-Sn",
"density": 10.904073325261127,
"density_atomic": 0.044189679976296435,
"volume": 181.03774465647274,
"volume_molar": 13.627934764927708,
"formula_full": "Hf4 Sn4",
"formula_reduced": "HfSn",
"formula_anonymous": "AB",
"energy_above_hull": 1.83661235,
"spacegroup": 198
},
{
"id": "jvasp-45331",
"created_at": "2022-09-04T14:36:50.503314Z",
"updated_at": "2022-09-04T14:36:50.503341Z",
"structure_string": "Hf4 Sn4 S12\n1.0\n3.718905 -0.000000 0.000000\n-0.000000 9.248739 0.000000\n0.000000 0.000000 13.891704\nHf Sn S\n4 4 12\ndirect\n0.749999 0.837782 0.048887 Hf\n0.250000 0.162219 0.951112 Hf\n0.749999 0.337782 0.451112 Hf\n0.250000 0.662219 0.548887 Hf\n0.749999 0.461113 0.828268 Sn\n0.250000 0.538887 0.171732 Sn\n0.749999 0.961113 0.671732 Sn\n0.250000 0.038887 0.328268 Sn\n0.250000 0.269307 0.784441 S\n0.749999 0.730693 0.215559 S\n0.749999 0.827595 0.491622 S\n0.250000 0.172405 0.508378 S\n0.749999 0.327595 0.008378 S\n0.749999 0.487990 0.606450 S\n0.749999 0.987990 0.893549 S\n0.250000 0.012011 0.106450 S\n0.749999 0.230693 0.284441 S\n0.250000 0.512011 0.393550 S\n0.250000 0.672405 0.991622 S\n0.250000 0.769307 0.715559 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hf",
"Sn",
"S"
],
"chemical_system": "Hf-S-Sn",
"density": 5.468708761831028,
"density_atomic": 0.041857845105520944,
"volume": 477.8076833525778,
"volume_molar": 14.38712562679366,
"formula_full": "Hf4 Sn4 S12",
"formula_reduced": "HfSnS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2163749399999992,
"spacegroup": 62
},
{
"id": "jvasp-107061",
"created_at": "2022-09-04T14:36:51.374313Z",
"updated_at": "2022-09-04T14:36:51.374336Z",
"structure_string": "Hf4 Te6\n1.0\n6.229976 -0.021005 4.601937\n2.310377 5.785776 4.601937\n-0.031119 -0.021005 7.745286\nHf Te\n4 6\ndirect\n0.000000 0.000000 0.000000 Hf\n0.339850 0.339849 0.339850 Hf\n0.660151 0.660150 0.660151 Hf\n0.500001 0.500000 0.500001 Hf\n0.927816 0.575931 0.231901 Te\n0.575932 0.231899 0.927816 Te\n0.231901 0.927815 0.575932 Te\n0.768100 0.072184 0.424069 Te\n0.424069 0.768100 0.072185 Te\n0.072186 0.424068 0.768100 Te\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Hf",
"Te"
],
"chemical_system": "Hf-Te",
"density": 8.750553213353475,
"density_atomic": 0.03561671253406142,
"volume": 280.7670694041926,
"volume_molar": 16.908188127247374,
"formula_full": "Hf4 Te6",
"formula_reduced": "Hf2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.7617258600000003,
"spacegroup": 148
},
{
"id": "jvasp-64988",
"created_at": "2022-09-04T14:35:53.601123Z",
"updated_at": "2022-09-04T14:35:53.601149Z",
"structure_string": "Hf4 Ti1 Be1\n1.0\n0.000000 3.975682 3.975682\n3.975682 0.000000 3.975682\n3.975682 3.975682 -0.000000\nHf Ti Be\n4 1 1\ndirect\n0.623464 0.129608 0.623464 Hf\n0.129608 0.623464 0.623464 Hf\n0.623464 0.623464 0.623464 Hf\n0.623464 0.623464 0.129608 Hf\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Be\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Ti",
"Be"
],
"chemical_system": "Be-Hf-Ti",
"density": 10.184693531124815,
"density_atomic": 0.047740431074577115,
"volume": 125.67963600134182,
"volume_molar": 12.614340977760733,
"formula_full": "Hf4 Ti1 Be1",
"formula_reduced": "Hf4TiBe",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.222536072222223,
"spacegroup": 216
},
{
"id": "jvasp-52258",
"created_at": "2022-09-04T14:38:16.472889Z",
"updated_at": "2022-09-04T14:38:16.472917Z",
"structure_string": "Hf4 Ti4 O16\n1.0\n4.764194 -0.001230 -0.005407\n-0.007055 5.643960 -0.006462\n-0.178439 -0.037467 10.135112\nHf Ti O\n4 4 16\ndirect\n0.006428 0.324791 0.119754 Hf\n0.500514 0.819972 0.122345 Hf\n0.505320 0.185534 0.380396 Hf\n0.497049 0.812014 0.627074 Hf\n0.997520 0.684709 0.872683 Ti\n0.001029 0.324825 0.628611 Ti\n0.997834 0.671842 0.377109 Ti\n0.501091 0.187600 0.870914 Ti\n0.772311 0.600871 0.532497 O\n0.790902 0.614793 0.031915 O\n0.710895 0.114451 0.032437 O\n0.736892 0.109271 0.550133 O\n0.746124 0.887179 0.294150 O\n0.725780 0.884185 0.797119 O\n0.267087 0.882208 0.456151 O\n0.201151 0.611366 0.714149 O\n0.269454 0.119817 0.709653 O\n0.255024 0.890091 0.954150 O\n0.777588 0.396290 0.286403 O\n0.230121 0.606248 0.219805 O\n0.218037 0.389537 0.471770 O\n0.247295 0.392459 0.954140 O\n0.284278 0.106349 0.209795 O\n0.760251 0.383598 0.786844 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Hf",
"Ti",
"O"
],
"chemical_system": "Hf-O-Ti",
"density": 7.07695677789659,
"density_atomic": 0.0880683754629491,
"volume": 272.5155298237214,
"volume_molar": 6.838028666185119,
"formula_full": "Hf4 Ti4 O16",
"formula_reduced": "HfTiO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.919234222222223,
"spacegroup": 1
},
{
"id": "jvasp-91784",
"created_at": "2022-09-04T14:35:52.251736Z",
"updated_at": "2022-09-04T14:35:52.251747Z",
"structure_string": "Hf4 Tl2 C2\n1.0\n-1.670448 -2.893267 0.000000\n-1.670448 2.893267 -0.000000\n0.000000 -0.000000 -14.775380\nHf Tl C\n4 2 2\ndirect\n0.666668 0.333334 0.581779 Hf\n0.333334 0.666668 0.418221 Hf\n0.333334 0.666668 0.081779 Hf\n0.666668 0.333334 0.918221 Hf\n0.666690 0.333311 0.250000 Tl\n0.333311 0.666690 0.750000 Tl\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Tl",
"C"
],
"chemical_system": "C-Hf-Tl",
"density": 13.332971771534432,
"density_atomic": 0.05601442185033466,
"volume": 142.82036189492874,
"volume_molar": 10.751054034067515,
"formula_full": "Hf4 Tl2 C2",
"formula_reduced": "Hf2TlC",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.91648215,
"spacegroup": 194
},
{
"id": "jvasp-42355",
"created_at": "2022-09-04T14:37:28.668117Z",
"updated_at": "2022-09-04T14:37:28.668147Z",
"structure_string": "Hf4 Zr4 O16\n1.0\n7.203222 0.004046 -0.000204\n-0.004103 7.203110 -0.001064\n-3.599618 -3.602956 5.221084\nHf Zr O\n4 4 16\ndirect\n0.864592 0.623321 0.742580 Hf\n0.364183 0.123764 0.242588 Hf\n0.865059 0.123751 0.242565 Hf\n0.864594 0.124214 0.742586 Hf\n0.866256 0.624993 0.245043 Zr\n0.365817 0.125432 0.745035 Zr\n0.365821 0.624566 0.745040 Zr\n0.365386 0.624986 0.245030 Zr\n0.212609 0.726049 0.942285 O\n0.766892 0.276241 0.547533 O\n0.517454 0.026681 0.048305 O\n0.716266 0.221278 0.942280 O\n0.264897 0.774210 0.543462 O\n0.961912 0.471782 0.442283 O\n0.014593 0.523831 0.042607 O\n0.515027 0.524261 0.043472 O\n0.767334 0.776626 0.548295 O\n0.017069 0.026290 0.047531 O\n0.466686 0.975445 0.442284 O\n0.716269 0.726053 0.942288 O\n0.264469 0.273789 0.542611 O\n0.961923 0.975462 0.442285 O\n0.212605 0.221278 0.942279 O\n0.466693 0.471797 0.442280 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Hf",
"Zr",
"O"
],
"chemical_system": "Hf-O-Zr",
"density": 8.183243199257968,
"density_atomic": 0.08860460787627619,
"volume": 270.86627406006477,
"volume_molar": 6.796645123026861,
"formula_full": "Hf4 Zr4 O16",
"formula_reduced": "HfZrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.973343583333333,
"spacegroup": 109
},
{
"id": "jvasp-35889",
"created_at": "2022-09-04T14:37:28.794724Z",
"updated_at": "2022-09-04T14:37:28.794746Z",
"structure_string": "Hf5 Pb1\n1.0\n3.182359 0.000000 0.000000\n0.000000 3.182359 0.000000\n0.000000 0.000000 13.533229\nHf Pb\n5 1\ndirect\n0.500000 0.500000 0.337286 Hf\n0.500000 0.500000 0.662714 Hf\n0.000000 0.000000 0.180094 Hf\n0.000000 0.000000 0.819906 Hf\n0.000000 0.000000 0.500000 Hf\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"Pb"
],
"chemical_system": "Hf-Pb",
"density": 13.323054491514585,
"density_atomic": 0.04377755260061546,
"volume": 137.05654253307088,
"volume_molar": 13.75622985355133,
"formula_full": "Hf5 Pb1",
"formula_reduced": "Hf5Pb",
"formula_anonymous": "AB5",
"energy_above_hull": 5.12031597,
"spacegroup": 123
},
{
"id": "jvasp-38493",
"created_at": "2022-09-04T14:37:41.391332Z",
"updated_at": "2022-09-04T14:37:41.391352Z",
"structure_string": "Hf5 Sc1\n1.0\n2.764624 -4.788469 -0.000000\n2.764624 4.788469 0.000000\n-0.000000 0.000000 5.019818\nHf Sc\n5 1\ndirect\n0.660872 -0.000001 0.000000 Hf\n-0.000001 0.660872 0.000000 Hf\n0.339127 0.339127 0.000000 Hf\n0.333332 0.666666 0.500000 Hf\n0.666666 0.333332 0.500000 Hf\n0.000000 0.000000 0.500000 Sc\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"Sc"
],
"chemical_system": "Hf-Sc",
"density": 11.711865180294748,
"density_atomic": 0.0451440511304893,
"volume": 132.90787711224553,
"volume_molar": 13.339832401378747,
"formula_full": "Hf5 Sc1",
"formula_reduced": "Hf5Sc",
"formula_anonymous": "AB5",
"energy_above_hull": 5.546925041666667,
"spacegroup": 189
},
{
"id": "jvasp-99509",
"created_at": "2022-09-04T14:36:36.467181Z",
"updated_at": "2022-09-04T14:36:36.467213Z",
"structure_string": "Hf5 Sc1 Si4\n1.0\n7.042022 -0.000000 0.000000\n0.000000 7.042022 0.000000\n-0.000000 -0.000000 3.682984\nHf Sc Si\n5 1 4\ndirect\n0.676580 0.169656 0.500000 Hf\n0.323419 0.830344 0.500000 Hf\n0.169656 0.323419 0.500000 Hf\n0.830344 0.676580 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 -0.000000 Sc\n0.125070 0.623503 -0.000000 Si\n0.874929 0.376497 -0.000000 Si\n0.623503 0.874929 -0.000000 Si\n0.376497 0.125070 -0.000000 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Hf",
"Sc",
"Si"
],
"chemical_system": "Hf-Sc-Si",
"density": 9.544199962635291,
"density_atomic": 0.054752683934311194,
"volume": 182.639448542785,
"volume_molar": 10.99880467453428,
"formula_full": "Hf5 Sc1 Si4",
"formula_reduced": "Hf5ScSi4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 5.025428465,
"spacegroup": 83
}
]
}