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=1519",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=1517",
"results": [
{
"id": "jvasp-35890",
"created_at": "2022-09-04T14:37:29.349422Z",
"updated_at": "2022-09-04T14:37:29.349437Z",
"structure_string": "Hf2 N4\n1.0\n1.625109 -2.814772 -0.000000\n1.625109 2.814772 -0.000000\n0.000000 0.000000 7.614065\nHf N\n2 4\ndirect\n0.666667 0.333333 0.250000 Hf\n0.333333 0.666667 0.750000 Hf\n0.000000 0.000000 0.405916 N\n0.000000 0.000000 0.594083 N\n0.000000 0.000000 0.905916 N\n0.000000 0.000000 0.094084 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"N"
],
"chemical_system": "Hf-N",
"density": 9.84541452958241,
"density_atomic": 0.08613486096333131,
"volume": 69.65820729140405,
"volume_molar": 6.991525489968226,
"formula_full": "Hf2 N4",
"formula_reduced": "HfN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.365836499999999,
"spacegroup": 194
},
{
"id": "jvasp-42670",
"created_at": "2022-09-04T14:36:12.183714Z",
"updated_at": "2022-09-04T14:36:12.183740Z",
"structure_string": "Hf2 Nb2 O8\n1.0\n-2.723071 5.222758 2.531823\n2.374114 -5.222758 2.573170\n2.723071 5.222758 -2.531823\nHf Nb O\n2 2 8\ndirect\n0.381326 0.749999 0.131326 Hf\n0.618674 0.250000 0.868673 Hf\n0.857086 0.749999 0.607085 Nb\n0.142915 0.250000 0.392914 Nb\n0.012850 0.722005 0.266026 O\n0.455978 0.222005 0.209157 O\n0.758677 0.793040 0.100133 O\n0.692908 0.293041 0.534363 O\n0.307093 0.706958 0.465635 O\n0.241323 0.206959 0.899866 O\n0.544022 0.777994 0.790842 O\n0.987150 0.277994 0.733973 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hf",
"Nb",
"O"
],
"chemical_system": "Hf-Nb-O",
"density": 8.191589160676665,
"density_atomic": 0.08825006875329039,
"volume": 135.97723117414094,
"volume_molar": 6.823950219047807,
"formula_full": "Hf2 Nb2 O8",
"formula_reduced": "HfNbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.2921394,
"spacegroup": 15
},
{
"id": "jvasp-80450",
"created_at": "2022-09-04T14:37:16.052096Z",
"updated_at": "2022-09-04T14:37:16.052115Z",
"structure_string": "Hf2 Ni1 Mo1\n1.0\n-8.178056 0.053662 -4.633972\n-6.874218 -0.159080 2.320153\n-4.983753 5.187961 -0.954228\nHf Ni Mo\n2 1 1\ndirect\n0.747244 0.000444 0.000443 Hf\n0.252756 0.999556 0.999556 Hf\n0.000001 0.000000 -0.000000 Ni\n0.500000 0.000000 -0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Ni",
"Mo"
],
"chemical_system": "Hf-Mo-Ni",
"density": 3.203926633426819,
"density_atomic": 0.01508521643715899,
"volume": 265.16026579154095,
"volume_molar": 39.920811113891816,
"formula_full": "Hf2 Ni1 Mo1",
"formula_reduced": "Hf2NiMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.355108575,
"spacegroup": 12
},
{
"id": "jvasp-80858",
"created_at": "2022-09-04T14:37:09.344999Z",
"updated_at": "2022-09-04T14:37:09.345020Z",
"structure_string": "Hf2 Ni1 Rh1\n1.0\n-11.616563 -0.000000 -6.706825\n-6.989466 -0.390754 -1.307541\n-6.017807 2.357514 -2.990504\nHf Ni Rh\n2 1 1\ndirect\n0.678864 -0.000001 -0.000000 Hf\n0.321137 -0.000001 -0.000000 Hf\n0.000000 0.000000 0.000000 Ni\n0.500001 -0.000001 -0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Ni",
"Rh"
],
"chemical_system": "Hf-Ni-Rh",
"density": 11.197734650630759,
"density_atomic": 0.05201471504724294,
"volume": 76.9013152598636,
"volume_molar": 11.577763628100865,
"formula_full": "Hf2 Ni1 Rh1",
"formula_reduced": "Hf2NiRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.799387850000001,
"spacegroup": 139
},
{
"id": "jvasp-110248",
"created_at": "2022-09-04T14:38:36.819102Z",
"updated_at": "2022-09-04T14:38:36.819123Z",
"structure_string": "Hf2 Ni1 S4\n1.0\n6.030671 -0.013057 3.012833\n4.986231 3.392147 3.012833\n0.004685 0.001437 6.150277\nHf Ni S\n2 1 4\ndirect\n0.742973 0.742973 0.254815 Hf\n0.257027 0.257028 0.745184 Hf\n0.000000 0.000000 0.000000 Ni\n0.116205 0.116205 0.207558 S\n0.619489 0.619489 0.717081 S\n0.380511 0.380511 0.282918 S\n0.883795 0.883796 0.792441 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Hf",
"Ni",
"S"
],
"chemical_system": "Hf-Ni-S",
"density": 7.159140077564177,
"density_atomic": 0.055483528861775155,
"volume": 126.16356860499879,
"volume_molar": 10.853925270331708,
"formula_full": "Hf2 Ni1 S4",
"formula_reduced": "Hf2NiS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.993332628571429,
"spacegroup": 12
},
{
"id": "jvasp-79467",
"created_at": "2022-09-04T14:37:17.565705Z",
"updated_at": "2022-09-04T14:37:17.565736Z",
"structure_string": "Hf2 Ni2\n1.0\n-3.253982 -0.000000 0.000000\n-0.000000 -0.000000 -4.052623\n1.626990 -4.895758 -0.000000\nHf Ni\n2 2\ndirect\n0.860117 0.749999 0.720235 Hf\n0.139883 0.250000 0.279765 Hf\n0.585158 0.749999 0.170315 Ni\n0.414842 0.250000 0.829686 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Ni"
],
"chemical_system": "Hf-Ni",
"density": 12.20090625103273,
"density_atomic": 0.0619567599323347,
"volume": 64.5611553019969,
"volume_molar": 9.719909121421143,
"formula_full": "Hf2 Ni2",
"formula_reduced": "HfNi",
"formula_anonymous": "AB",
"energy_above_hull": 1.8903977,
"spacegroup": 63
},
{
"id": "jvasp-18715",
"created_at": "2022-09-04T14:36:56.062496Z",
"updated_at": "2022-09-04T14:36:56.062519Z",
"structure_string": "Hf2 Ni4\n1.0\n4.230848 -0.000000 2.442682\n1.410283 3.988882 2.442682\n-0.000000 -0.000000 4.885362\nHf Ni\n2 4\ndirect\n0.125000 0.125000 0.125000 Hf\n0.875000 0.875000 0.874999 Hf\n0.500000 0.000000 0.499999 Ni\n-0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.500000 -0.000000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"Ni"
],
"chemical_system": "Hf-Ni",
"density": 11.91830908782736,
"density_atomic": 0.07277394000430622,
"volume": 82.44709575494971,
"volume_molar": 8.275133598158428,
"formula_full": "Hf2 Ni4",
"formula_reduced": "HfNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0711226,
"spacegroup": 227
},
{
"id": "jvasp-91759",
"created_at": "2022-09-04T14:35:59.514835Z",
"updated_at": "2022-09-04T14:35:59.514861Z",
"structure_string": "Hf2 Ni4 Sb2\n1.0\n-2.106112 -3.648002 -0.000000\n-2.106112 3.648002 0.000000\n0.000000 0.000000 -8.301982\nHf Ni Sb\n2 4 2\ndirect\n0.666657 0.333342 0.750000 Hf\n0.333342 0.666657 0.250000 Hf\n0.666671 0.333328 0.099419 Ni\n0.333328 0.666671 0.900580 Ni\n0.333328 0.666671 0.599419 Ni\n0.666671 0.333328 0.400581 Ni\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Ni",
"Sb"
],
"chemical_system": "Hf-Ni-Sb",
"density": 10.872503074215047,
"density_atomic": 0.06271070360570022,
"volume": 127.56992889604292,
"volume_molar": 9.603050856939523,
"formula_full": "Hf2 Ni4 Sb2",
"formula_reduced": "HfNi2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.161180975,
"spacegroup": 194
},
{
"id": "jvasp-101636",
"created_at": "2022-09-04T14:36:41.985554Z",
"updated_at": "2022-09-04T14:36:41.985580Z",
"structure_string": "Hf2 Ni7\n1.0\n4.649563 -0.000951 0.649172\n-2.511188 3.913102 0.649172\n0.004302 0.007870 6.250159\nHf Ni\n2 7\ndirect\n0.108478 0.108478 0.227857 Hf\n0.891521 0.891522 0.772143 Hf\n-0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.467184 0.794575 0.154566 Ni\n0.532814 0.205425 0.845434 Ni\n0.205424 0.532815 0.845434 Ni\n0.794575 0.467185 0.154566 Ni\n0.499999 0.500000 0.500000 Ni\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Hf",
"Ni"
],
"chemical_system": "Hf-Ni",
"density": 11.218388791611565,
"density_atomic": 0.07918750748424229,
"volume": 113.65429075780585,
"volume_molar": 7.604912632460821,
"formula_full": "Hf2 Ni7",
"formula_reduced": "Hf2Ni7",
"formula_anonymous": "A2B7",
"energy_above_hull": 2.3401214222222224,
"spacegroup": 12
},
{
"id": "jvasp-63138",
"created_at": "2022-09-04T14:35:50.481199Z",
"updated_at": "2022-09-04T14:35:50.481225Z",
"structure_string": "Hf2 Ni8 As4\n1.0\n7.071220 -0.000000 0.000000\n-0.000000 7.071220 0.000000\n0.000000 0.000000 3.770482\nHf Ni As\n2 8 4\ndirect\n0.000000 0.000000 0.500000 Hf\n0.500000 0.500000 0.000000 Hf\n0.344196 0.090680 0.000000 Ni\n0.655804 0.909320 0.000000 Ni\n0.590680 0.155804 0.500000 Ni\n0.409320 0.844196 0.500000 Ni\n0.844196 0.409320 0.500000 Ni\n0.155804 0.590680 0.500000 Ni\n0.090680 0.344196 0.000000 Ni\n0.909320 0.655804 0.000000 Ni\n0.784387 0.215613 0.000000 As\n0.215613 0.784387 0.000000 As\n0.715613 0.715613 0.500000 As\n0.284387 0.284387 0.500000 As\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hf",
"Ni",
"As"
],
"chemical_system": "As-Hf-Ni",
"density": 9.919374672932115,
"density_atomic": 0.07425786615710149,
"volume": 188.53221516467102,
"volume_molar": 8.10976812511611,
"formula_full": "Hf2 Ni8 As4",
"formula_reduced": "Hf(Ni2As)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.2612423,
"spacegroup": 136
},
{
"id": "jvasp-118529",
"created_at": "2022-09-04T14:38:53.011125Z",
"updated_at": "2022-09-04T14:38:53.011150Z",
"structure_string": "Hf2 O2\n1.0\n3.086453 0.445265 0.273987\n-2.281904 -5.726305 -0.525323\n0.262656 0.182284 -3.194591\nHf O\n2 2\ndirect\n0.154969 -0.001634 0.204680 Hf\n0.151838 0.494587 0.705496 Hf\n0.542822 0.385733 0.205824 O\n0.911523 0.755374 0.705264 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"O"
],
"chemical_system": "Hf-O",
"density": 12.017577781007745,
"density_atomic": 0.07442209705669012,
"volume": 53.74747767390979,
"volume_molar": 8.091871901181054,
"formula_full": "Hf2 O2",
"formula_reduced": "HfO",
"formula_anonymous": "AB",
"energy_above_hull": 1.2850782500000002,
"spacegroup": 25
},
{
"id": "jvasp-118531",
"created_at": "2022-09-04T14:38:53.183098Z",
"updated_at": "2022-09-04T14:38:53.183115Z",
"structure_string": "Hf2 O2\n1.0\n3.036223 0.000000 -0.000000\n0.000000 3.036223 0.000000\n0.000000 -0.000000 5.468195\nHf O\n2 2\ndirect\n0.000000 0.000000 0.230318 Hf\n0.500000 0.500000 0.769681 Hf\n0.000000 0.000000 0.647782 O\n0.500000 0.500000 0.352217 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"O"
],
"chemical_system": "Hf-O",
"density": 12.813379958580677,
"density_atomic": 0.0793503170338353,
"volume": 50.40937641489679,
"volume_molar": 7.589309009858316,
"formula_full": "Hf2 O2",
"formula_reduced": "HfO",
"formula_anonymous": "AB",
"energy_above_hull": 1.26313825,
"spacegroup": 129
}
]
}