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=173",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=171",
"results": [
{
"id": "jvasp-21701",
"created_at": "2022-09-04T14:38:35.990400Z",
"updated_at": "2022-09-04T14:38:35.990425Z",
"structure_string": "Sc4 Re8\n1.0\n2.647411 -4.585450 -0.000000\n2.647411 4.585450 0.000000\n0.000000 0.000000 8.597802\nSc Re\n4 8\ndirect\n0.333333 0.666667 0.562219 Sc\n0.666667 0.333333 0.062219 Sc\n0.666667 0.333333 0.437781 Sc\n0.333333 0.666667 0.937781 Sc\n0.656138 0.828069 0.250000 Re\n0.343862 0.171931 0.750000 Re\n0.828069 0.656138 0.750000 Re\n0.171931 0.828069 0.250000 Re\n0.171931 0.343862 0.250000 Re\n0.828069 0.171931 0.750000 Re\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sc",
"Re"
],
"chemical_system": "Re-Sc",
"density": 13.280348143285046,
"density_atomic": 0.057485786772505945,
"volume": 208.74725169003528,
"volume_molar": 10.475877774504502,
"formula_full": "Sc4 Re8",
"formula_reduced": "ScRe2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.74920375,
"spacegroup": 194
},
{
"id": "jvasp-109178",
"created_at": "2022-09-04T14:38:03.055963Z",
"updated_at": "2022-09-04T14:38:03.055990Z",
"structure_string": "Hf1 Ti1 C1 N1\n1.0\n3.018295 -0.000361 4.527981\n1.370559 2.689177 4.527981\n-0.000590 -0.000361 5.441757\nHf Ti C N\n1 1 1 1\ndirect\n0.000319 0.000319 0.000319 Hf\n0.498430 0.498431 0.498429 Ti\n0.754002 0.754003 0.754000 C\n0.247249 0.247249 0.247248 N\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Hf",
"Ti",
"C",
"N"
],
"chemical_system": "C-Hf-N-Ti",
"density": 9.485289568164129,
"density_atomic": 0.09053493373112971,
"volume": 44.1818404802635,
"volume_molar": 6.651731560200321,
"formula_full": "Hf1 Ti1 C1 N1",
"formula_reduced": "HfTiCN",
"formula_anonymous": "ABCD",
"energy_above_hull": 4.749071145833334,
"spacegroup": 160
},
{
"id": "jvasp-15497",
"created_at": "2022-09-04T14:36:21.319413Z",
"updated_at": "2022-09-04T14:36:21.319440Z",
"structure_string": "Sc2 Cr2 C4\n1.0\n1.629014 -2.821534 -0.000000\n1.629014 2.821534 -0.000000\n0.000000 0.000000 9.003360\nSc Cr C\n2 2 4\ndirect\n0.000000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.333332 0.666666 0.250000 Cr\n0.666666 0.333332 0.750000 Cr\n0.333332 0.666666 0.834615 C\n0.666666 0.333332 0.334615 C\n0.333332 0.666666 0.665385 C\n0.666666 0.333332 0.165385 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sc",
"Cr",
"C"
],
"chemical_system": "C-Cr-Sc",
"density": 4.854274228091699,
"density_atomic": 0.09665966170917258,
"volume": 82.76461823413185,
"volume_molar": 6.230252261920058,
"formula_full": "Sc2 Cr2 C4",
"formula_reduced": "ScCrC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.7490456625,
"spacegroup": 194
},
{
"id": "jvasp-18231",
"created_at": "2022-09-04T14:38:13.096728Z",
"updated_at": "2022-09-04T14:38:13.096755Z",
"structure_string": "Mn3 Ir1 N1\n1.0\n3.762562 -0.000000 0.000000\n-0.000000 3.762562 0.000000\n0.000000 0.000000 3.762562\nMn Ir N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Ir",
"N"
],
"chemical_system": "Ir-Mn-N",
"density": 11.566881852497904,
"density_atomic": 0.0938683122357374,
"volume": 53.26611165057688,
"volume_molar": 6.4155204419529985,
"formula_full": "Mn3 Ir1 N1",
"formula_reduced": "Mn3IrN",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.748475214827586,
"spacegroup": 221
},
{
"id": "jvasp-68171",
"created_at": "2022-09-04T14:36:18.926883Z",
"updated_at": "2022-09-04T14:36:18.926909Z",
"structure_string": "Be1 Nb2 Mo1\n1.0\n-1.897254 1.897254 4.401660\n1.897254 -1.897254 4.401660\n1.897254 1.897254 -4.401660\nBe Nb Mo\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Nb\n0.250000 0.749999 0.499999 Nb\n0.749999 0.250000 0.499999 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Mo"
],
"chemical_system": "Be-Mo-Nb",
"density": 7.618398759171784,
"density_atomic": 0.06311499507997309,
"volume": 63.376381396078614,
"volume_molar": 9.54153724066577,
"formula_full": "Be1 Nb2 Mo1",
"formula_reduced": "BeNb2Mo",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.7476677,
"spacegroup": 119
},
{
"id": "jvasp-15059",
"created_at": "2022-09-04T14:36:21.169584Z",
"updated_at": "2022-09-04T14:36:21.169605Z",
"structure_string": "Ta4 Si2\n1.0\n4.905475 0.013754 -1.278476\n-2.926734 3.936764 -1.278476\n-0.006889 -0.013754 5.069333\nTa Si\n4 2\ndirect\n0.837337 0.662662 0.499998 Ta\n0.337337 0.837336 0.174672 Ta\n0.162664 0.337337 0.499999 Ta\n0.662664 0.162663 0.825326 Ta\n0.750000 0.749998 -0.000002 Si\n0.250000 0.249999 -0.000001 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"Si"
],
"chemical_system": "Si-Ta",
"density": 13.225453335152242,
"density_atomic": 0.061268745293008735,
"volume": 97.92921286874548,
"volume_molar": 9.829058406859811,
"formula_full": "Ta4 Si2",
"formula_reduced": "Ta2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 4.747175666666666,
"spacegroup": 140
},
{
"id": "jvasp-93345",
"created_at": "2022-09-04T14:35:56.461380Z",
"updated_at": "2022-09-04T14:35:56.461409Z",
"structure_string": "Ta4 Si2\n1.0\n-3.097108 3.097108 -2.552367\n3.097108 -3.097108 -2.552367\n-3.097108 -3.097108 2.552367\nTa Si\n4 2\ndirect\n0.837341 0.337340 0.174679 Ta\n0.162660 0.662661 0.825322 Ta\n0.662661 0.837341 0.500000 Ta\n0.337340 0.162660 0.500000 Ta\n0.750001 0.750001 0.000000 Si\n0.250000 0.250000 0.000000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"Si"
],
"chemical_system": "Si-Ta",
"density": 13.225345274206742,
"density_atomic": 0.06126824468570415,
"volume": 97.93001302353277,
"volume_molar": 9.829138717605794,
"formula_full": "Ta4 Si2",
"formula_reduced": "Ta2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 4.747175666666666,
"spacegroup": 140
},
{
"id": "jvasp-116584",
"created_at": "2022-09-04T14:38:43.711695Z",
"updated_at": "2022-09-04T14:38:43.711739Z",
"structure_string": "U10 Sb8\n1.0\n9.317727 -0.000000 0.000000\n-4.658864 8.069388 0.000000\n-0.000000 0.000000 6.179427\nU Sb\n10 8\ndirect\n0.333334 0.666667 -0.000000 U\n0.289019 0.289019 0.750000 U\n0.000000 0.710981 0.750000 U\n0.000000 0.289019 0.250000 U\n0.710981 0.000000 0.750000 U\n0.710982 0.710981 0.250000 U\n0.333334 0.666667 0.500000 U\n0.666667 0.333333 0.500000 U\n0.666667 0.333333 -0.000000 U\n0.289019 0.000000 0.250000 U\n0.377183 0.377183 0.250000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.622817 0.000000 0.250000 Sb\n0.377183 0.000000 0.750000 Sb\n0.000000 0.622817 0.250000 Sb\n0.000000 0.377183 0.750000 Sb\n0.622818 0.622817 0.750000 Sb\n",
"nsites": 18,
"nelements": 2,
"elements": [
"U",
"Sb"
],
"chemical_system": "Sb-U",
"density": 11.988398207381813,
"density_atomic": 0.038741257999938564,
"volume": 464.6209475187549,
"volume_molar": 15.544515255569527,
"formula_full": "U10 Sb8",
"formula_reduced": "U5Sb4",
"formula_anonymous": "A4B5",
"energy_above_hull": 4.7468860444444445,
"spacegroup": 193
},
{
"id": "jvasp-36250",
"created_at": "2022-09-04T14:37:28.678370Z",
"updated_at": "2022-09-04T14:37:28.678394Z",
"structure_string": "Np1 N2\n1.0\n2.618058 2.618058 -0.000000\n2.618058 0.000000 -2.618058\n-0.000000 2.618058 -2.618058\nNp N\n1 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.250000 0.250000 0.250000 N\n0.750001 0.750001 0.750001 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Np",
"N"
],
"chemical_system": "N-Np",
"density": 12.261656481659593,
"density_atomic": 0.08358983505230881,
"volume": 35.8895312823941,
"volume_molar": 7.204393639766687,
"formula_full": "Np1 N2",
"formula_reduced": "NpN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.745808833333333,
"spacegroup": 225
},
{
"id": "jvasp-26066",
"created_at": "2022-09-04T14:38:34.202749Z",
"updated_at": "2022-09-04T14:38:34.202769Z",
"structure_string": "Nb6 Co16 Si7\n1.0\n6.867041 0.000000 3.964688\n2.289014 6.474309 3.964688\n0.000000 0.000000 7.929375\nNb Co Si\n6 16 7\ndirect\n0.203083 0.796917 0.796917 Nb\n0.203083 0.796917 0.203084 Nb\n0.796916 0.203084 0.796917 Nb\n0.203083 0.203084 0.796917 Nb\n0.796916 0.796917 0.203084 Nb\n0.796916 0.203084 0.203084 Nb\n0.166082 0.166082 0.166082 Co\n0.618815 0.618816 0.618816 Co\n0.381184 0.856446 0.381185 Co\n0.856446 0.381185 0.381185 Co\n0.618815 0.143554 0.618816 Co\n0.381184 0.381185 0.856447 Co\n0.618815 0.618816 0.143554 Co\n0.833918 0.833918 0.498247 Co\n0.143553 0.618816 0.618816 Co\n0.833918 0.498246 0.833919 Co\n0.501753 0.166082 0.166082 Co\n0.498246 0.833918 0.833919 Co\n0.166082 0.166082 0.501754 Co\n0.833918 0.833918 0.833920 Co\n0.381184 0.381185 0.381185 Co\n0.166081 0.501754 0.166082 Co\n-0.000000 0.500000 0.000000 Si\n0.500000 0.500000 0.500001 Si\n0.500000 -0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n-0.000000 0.500000 0.500001 Si\n0.500000 -0.000000 0.500001 Si\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Nb",
"Co",
"Si"
],
"chemical_system": "Co-Nb-Si",
"density": 7.993200446044808,
"density_atomic": 0.08226137739804813,
"volume": 352.53482153203163,
"volume_molar": 7.3207390278185285,
"formula_full": "Nb6 Co16 Si7",
"formula_reduced": "Nb6Co16Si7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 4.744937620689655,
"spacegroup": 225
},
{
"id": "jvasp-111549",
"created_at": "2022-09-04T14:38:41.706036Z",
"updated_at": "2022-09-04T14:38:41.706065Z",
"structure_string": "Mn4 Ru4 N8\n1.0\n5.213935 0.000000 0.000000\n0.000000 6.318894 0.000000\n0.000000 0.000000 5.154385\nMn Ru N\n4 4 8\ndirect\n0.619680 0.881290 0.996645 Mn\n0.380321 0.118710 0.496645 Mn\n0.880321 0.381290 0.496645 Mn\n0.119680 0.618709 0.996645 Mn\n0.565010 0.344930 0.994938 Ru\n0.434991 0.655070 0.494937 Ru\n0.934992 0.844929 0.494937 Ru\n0.065009 0.155070 0.994938 Ru\n0.583348 0.914877 0.350167 N\n0.416653 0.085122 0.850168 N\n0.916654 0.414877 0.850168 N\n0.083347 0.585122 0.350167 N\n0.552147 0.360159 0.380252 N\n0.447854 0.639840 0.880253 N\n0.947854 0.860159 0.880253 N\n0.052147 0.139840 0.380252 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mn",
"Ru",
"N"
],
"chemical_system": "Mn-N-Ru",
"density": 7.197704090666771,
"density_atomic": 0.09421855631619981,
"volume": 169.81792786448142,
"volume_molar": 6.391671657321458,
"formula_full": "Mn4 Ru4 N8",
"formula_reduced": "MnRuN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.744243560344827,
"spacegroup": 33
},
{
"id": "jvasp-103890",
"created_at": "2022-09-04T14:36:56.672224Z",
"updated_at": "2022-09-04T14:36:56.672242Z",
"structure_string": "Ti1 H24 C13 O4\n1.0\n4.899813 -0.017654 -0.655557\n-0.682333 6.788775 -2.233653\n-0.121746 -0.207251 10.969320\nTi H C O\n1 24 13 4\ndirect\n0.478775 0.587605 0.883875 Ti\n0.962537 0.813497 0.540670 H\n0.310015 0.527589 0.633115 H\n0.202561 0.762161 0.727608 H\n0.488061 0.673376 0.137283 H\n0.137031 0.613612 0.052039 H\n0.861368 0.864953 0.395308 H\n0.023706 0.532134 0.718339 H\n0.511907 0.082737 0.514981 H\n0.865290 0.172020 0.574357 H\n0.877730 0.034492 0.751893 H\n0.524752 0.930410 0.696290 H\n0.346646 0.417383 0.054171 H\n0.004600 0.187318 0.373110 H\n0.698671 0.091082 0.258071 H\n0.415024 0.713032 0.514892 H\n0.419928 0.682878 0.349732 H\n-0.004274 0.510446 0.329872 H\n0.140777 0.992106 0.167859 H\n0.684127 0.418617 0.219913 H\n0.062884 0.119474 0.973633 H\n0.789093 0.244280 0.042467 H\n0.770848 0.479370 0.513026 H\n0.463240 0.367913 0.402920 H\n0.241050 0.244470 0.197974 H\n0.549220 0.682918 0.440529 C\n0.643853 0.476897 0.421119 C\n0.806966 0.407867 0.308867 C\n0.909153 0.118722 0.036400 C\n0.060593 0.134167 0.173953 C\n0.886033 0.196626 0.282443 C\n0.726135 0.928326 0.974475 C\n0.706608 0.051603 0.563883 C\n0.786996 0.850957 0.482206 C\n0.586405 0.243102 0.781058 C\n0.224167 0.607845 0.720604 C\n0.346165 0.569440 0.052315 C\n0.676241 0.052143 0.702554 C\n0.767581 0.393758 0.846741 O\n0.831130 0.768719 0.914003 O\n0.470497 0.906664 0.979853 O\n0.334702 0.273133 0.783342 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Ti",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Ti",
"density": 1.3409213086061826,
"density_atomic": 0.1160731592039553,
"volume": 361.84075877697666,
"volume_molar": 5.1882285287146646,
"formula_full": "Ti1 H24 C13 O4",
"formula_reduced": "TiH24C13O4",
"formula_anonymous": "AB4C13D24",
"energy_above_hull": 4.744183150793651,
"spacegroup": 1
}
]
}