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=161",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=159",
"results": [
{
"id": "jvasp-36234",
"created_at": "2022-09-04T14:37:17.718560Z",
"updated_at": "2022-09-04T14:37:17.718572Z",
"structure_string": "Ta1 N2\n1.0\n1.553782 -2.691229 0.000000\n1.553782 2.691229 -0.000000\n0.000000 0.000000 3.811438\nTa N\n1 2\ndirect\n0.666666 0.333332 0.500000 Ta\n0.000000 0.000000 0.184077 N\n0.000000 0.000000 0.815923 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 10.88567395091864,
"density_atomic": 0.09411560958453905,
"volume": 31.875690050174512,
"volume_molar": 6.398663076809412,
"formula_full": "Ta1 N2",
"formula_reduced": "TaN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.8420919,
"spacegroup": 187
},
{
"id": "jvasp-117915",
"created_at": "2022-09-04T14:38:50.306224Z",
"updated_at": "2022-09-04T14:38:50.306248Z",
"structure_string": "C1 S1 N2\n1.0\n3.488008 -0.000000 -0.000000\n-0.000000 3.488008 0.000000\n0.000000 0.000000 4.668256\nC S N\n1 1 2\ndirect\n0.000000 0.000000 -0.118736 C\n0.500000 0.500000 0.090386 S\n0.000000 0.000000 0.628177 N\n0.500000 0.500000 0.400174 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"C",
"S",
"N"
],
"chemical_system": "C-N-S",
"density": 2.107701440218091,
"density_atomic": 0.07042881521580631,
"volume": 56.79493525119363,
"volume_molar": 8.550677363444349,
"formula_full": "C1 S1 N2",
"formula_reduced": "CSN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.841459125,
"spacegroup": 99
},
{
"id": "jvasp-51102",
"created_at": "2022-09-04T14:38:08.052914Z",
"updated_at": "2022-09-04T14:38:08.052935Z",
"structure_string": "Mn1 Tc1 Os1\n1.0\n0.000000 2.905116 2.905116\n2.905116 0.000000 2.905116\n2.905116 2.905116 0.000000\nMn Tc Os\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Tc\n0.500001 0.500001 0.500001 Os\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Tc",
"Os"
],
"chemical_system": "Mn-Os-Tc",
"density": 11.620786106913995,
"density_atomic": 0.061178781697351324,
"volume": 49.036609045941205,
"volume_molar": 9.843512068924909,
"formula_full": "Mn1 Tc1 Os1",
"formula_reduced": "MnTcOs",
"formula_anonymous": "ABC",
"energy_above_hull": 4.840511247126437,
"spacegroup": 216
},
{
"id": "jvasp-100639",
"created_at": "2022-09-04T14:36:33.582959Z",
"updated_at": "2022-09-04T14:36:33.582991Z",
"structure_string": "Ta2 Cr1 Si6\n1.0\n4.768061 0.004266 0.000000\n-2.466111 4.080774 0.000000\n0.000000 0.000000 6.525969\nTa Cr Si\n2 1 6\ndirect\n0.500000 0.000000 0.663938 Ta\n-0.000000 0.500000 0.336062 Ta\n0.500000 0.500000 0.000000 Cr\n0.159672 0.840327 0.000000 Si\n0.169856 0.323799 0.675141 Si\n0.676201 0.830144 0.324859 Si\n0.840329 0.159672 0.000000 Si\n0.830144 0.676201 0.675141 Si\n0.323799 0.169856 0.324859 Si\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ta",
"Cr",
"Si"
],
"chemical_system": "Cr-Si-Ta",
"density": 7.612196303527446,
"density_atomic": 0.0708399752769788,
"volume": 127.04691051642381,
"volume_molar": 8.501048647255871,
"formula_full": "Ta2 Cr1 Si6",
"formula_reduced": "Ta2CrSi6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.840007488888888,
"spacegroup": 21
},
{
"id": "jvasp-35085",
"created_at": "2022-09-04T14:37:29.769181Z",
"updated_at": "2022-09-04T14:37:29.769198Z",
"structure_string": "Ta2 N4\n1.0\n1.532620 -2.654576 -0.000000\n1.532620 2.654576 -0.000000\n-0.000000 0.000000 7.788848\nTa N\n2 4\ndirect\n0.666667 0.333333 0.250000 Ta\n0.333333 0.666667 0.750000 Ta\n0.000000 0.000000 0.409385 N\n0.000000 0.000000 0.590615 N\n0.000000 0.000000 0.909385 N\n0.000000 0.000000 0.090615 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 10.949947488900554,
"density_atomic": 0.09467130721378984,
"volume": 63.37717494964555,
"volume_molar": 6.361104475298523,
"formula_full": "Ta2 N4",
"formula_reduced": "TaN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.838541899999999,
"spacegroup": 194
},
{
"id": "jvasp-90284",
"created_at": "2022-09-04T14:35:47.729806Z",
"updated_at": "2022-09-04T14:35:47.729832Z",
"structure_string": "Ru1 I2 N6\n1.0\n-3.943718 -3.943718 0.000000\n-3.943718 -0.000000 -3.943718\n0.000000 -3.943718 -3.943718\nRu I N\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 I\n0.750000 0.750000 0.750000 I\n0.754484 0.245517 0.245517 N\n0.754484 0.245517 0.754484 N\n0.754484 0.754484 0.245517 N\n0.245517 0.754484 0.754484 N\n0.245517 0.754484 0.245517 N\n0.245517 0.245517 0.754484 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ru",
"I",
"N"
],
"chemical_system": "I-N-Ru",
"density": 5.941362672823313,
"density_atomic": 0.07336601931026493,
"volume": 122.67259535969909,
"volume_molar": 8.20835151834034,
"formula_full": "Ru1 I2 N6",
"formula_reduced": "Ru(IN3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.8376247277777775,
"spacegroup": 225
},
{
"id": "jvasp-90239",
"created_at": "2022-09-04T14:35:58.846472Z",
"updated_at": "2022-09-04T14:35:58.846496Z",
"structure_string": "Ta3 Re3 Si3\n1.0\n0.000000 0.000000 -3.293309\n-3.453731 -5.982038 0.000000\n-3.453708 5.982025 0.000000\nTa Re Si\n3 3 3\ndirect\n0.500000 0.600001 -0.000000 Ta\n0.500000 0.399992 0.400018 Ta\n0.500000 0.999974 0.599981 Ta\n0.000000 0.261598 -0.000000 Re\n0.000000 0.738390 0.738406 Re\n0.000000 0.999984 0.261593 Re\n0.000000 0.333316 0.666670 Si\n0.000000 0.666644 0.333330 Si\n0.500000 0.000005 -0.000000 Si\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ta",
"Re",
"Si"
],
"chemical_system": "Re-Si-Ta",
"density": 14.468830381844338,
"density_atomic": 0.06613696699371348,
"volume": 136.08123276737922,
"volume_molar": 9.105559316883134,
"formula_full": "Ta3 Re3 Si3",
"formula_reduced": "TaReSi",
"formula_anonymous": "ABC",
"energy_above_hull": 4.835825266666667,
"spacegroup": 189
},
{
"id": "jvasp-112254",
"created_at": "2022-09-04T14:38:47.540840Z",
"updated_at": "2022-09-04T14:38:47.540871Z",
"structure_string": "H20 C20 O8\n1.0\n5.612637 -0.003392 1.007166\n1.496770 7.284752 2.038449\n-0.163130 -0.270576 10.333612\nH C O\n20 20 8\ndirect\n0.685558 0.917629 0.515702 H\n0.091959 0.240733 0.109299 H\n0.908042 0.759266 0.890701 H\n0.212748 0.396800 0.974994 H\n0.787252 0.603200 0.025006 H\n0.398193 0.176805 0.035200 H\n0.733248 0.096754 0.832328 H\n0.266753 0.903245 0.167672 H\n0.937638 0.187116 0.699990 H\n0.062363 0.812883 0.300010 H\n0.601807 0.823194 0.964801 H\n0.909178 0.523870 0.430819 H\n0.034693 0.769049 0.641011 H\n0.965307 0.230950 0.358990 H\n0.344730 0.812341 0.769818 H\n0.655270 0.187658 0.230182 H\n0.691810 0.560336 0.830311 H\n0.308191 0.439664 0.169690 H\n0.314443 0.082371 0.484299 H\n0.090822 0.476130 0.569181 H\n0.544088 0.811050 0.400211 C\n0.455913 0.188950 0.599789 C\n0.200426 0.779005 0.217875 C\n0.799574 0.220995 0.782125 C\n0.214322 0.251535 0.015352 C\n0.121069 0.173034 0.918919 C\n0.785678 0.748464 0.984649 C\n0.222336 0.495929 0.626275 C\n0.878932 0.826966 0.081081 C\n0.777665 0.504070 0.373725 C\n0.593199 0.374316 0.734826 C\n0.809205 0.339958 0.333140 C\n0.190796 0.660041 0.666861 C\n0.423105 0.353196 0.656768 C\n0.406801 0.625684 0.265174 C\n0.576896 0.646803 0.343233 C\n0.560837 0.541995 0.772217 C\n0.635974 0.315876 0.261586 C\n0.364026 0.684124 0.738415 C\n0.439163 0.458004 0.227783 C\n0.780418 0.968854 0.118915 O\n0.357775 0.935088 0.392850 O\n0.642226 0.064912 0.607150 O\n0.727461 0.813392 0.464743 O\n0.272540 0.186608 0.535257 O\n0.089684 0.721031 0.121829 O\n0.910317 0.278969 0.878171 O\n0.219582 0.031146 0.881086 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5122697959788196,
"density_atomic": 0.11255841776823822,
"volume": 426.4452268584097,
"volume_molar": 5.350235797023909,
"formula_full": "H20 C20 O8",
"formula_reduced": "H5C5O2",
"formula_anonymous": "A2B5C5",
"energy_above_hull": 4.835013916666666,
"spacegroup": 2
},
{
"id": "jvasp-17297",
"created_at": "2022-09-04T14:38:31.579343Z",
"updated_at": "2022-09-04T14:38:31.579370Z",
"structure_string": "Hf6 Ni1 Sb2\n1.0\n3.845830 -6.661173 -0.000000\n3.845830 6.661173 -0.000000\n0.000000 0.000000 3.620343\nHf Ni Sb\n6 1 2\ndirect\n0.760197 0.000000 0.500000 Hf\n0.000000 0.760197 0.500000 Hf\n0.239803 0.239803 0.500000 Hf\n0.603070 0.603070 0.000000 Hf\n0.000000 0.396930 0.000000 Hf\n0.396930 0.000000 0.000000 Hf\n0.000000 0.000000 0.000000 Ni\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.500000 Sb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Hf",
"Ni",
"Sb"
],
"chemical_system": "Hf-Ni-Sb",
"density": 12.292710216531287,
"density_atomic": 0.04852013485476692,
"volume": 185.4900038291172,
"volume_molar": 12.411632362576476,
"formula_full": "Hf6 Ni1 Sb2",
"formula_reduced": "Hf6NiSb2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.832592511111112,
"spacegroup": 189
},
{
"id": "jvasp-41242",
"created_at": "2022-09-04T14:38:06.078100Z",
"updated_at": "2022-09-04T14:38:06.078120Z",
"structure_string": "Hf1 Sc1 Os2\n1.0\n0.000000 3.233112 3.233112\n3.233112 0.000000 3.233112\n3.233112 3.233112 0.000000\nHf Sc Os\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750001 0.750001 0.750001 Sc\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Sc",
"Os"
],
"chemical_system": "Hf-Os-Sc",
"density": 14.836318037948779,
"density_atomic": 0.059179017022460145,
"volume": 67.59152485553933,
"volume_molar": 10.176141921577415,
"formula_full": "Hf1 Sc1 Os2",
"formula_reduced": "HfScOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.8325220625,
"spacegroup": 225
},
{
"id": "jvasp-103662",
"created_at": "2022-09-04T14:36:37.852152Z",
"updated_at": "2022-09-04T14:36:37.852181Z",
"structure_string": "Zr1 Mo2\n1.0\n6.965785 -0.001515 1.979970\n6.450719 2.626986 0.905859\n0.000669 -0.003416 2.885829\nZr Mo\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.324736 0.324737 0.675264 Mo\n0.675261 0.675265 0.324738 Mo\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"Mo"
],
"chemical_system": "Mo-Zr",
"density": 8.901740205756104,
"density_atomic": 0.05680689698471964,
"volume": 52.81048885326307,
"volume_molar": 10.601073249292039,
"formula_full": "Zr1 Mo2",
"formula_reduced": "ZrMo2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.832095433333333,
"spacegroup": 69
},
{
"id": "jvasp-101109",
"created_at": "2022-09-04T14:36:35.843137Z",
"updated_at": "2022-09-04T14:36:35.843160Z",
"structure_string": "Ta1 Ti1 N2\n1.0\n3.077448 -0.000000 0.000000\n0.000000 3.077448 0.000000\n0.000000 -0.000000 4.330050\nTa Ti N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 -0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"N"
],
"chemical_system": "N-Ta-Ti",
"density": 10.399622687440433,
"density_atomic": 0.09754064730924283,
"volume": 41.00854474871795,
"volume_molar": 6.1739807209884585,
"formula_full": "Ta1 Ti1 N2",
"formula_reduced": "TaTiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.831131008333333,
"spacegroup": 123
}
]
}