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=updated_at&page=3489",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=3487",
"results": [
{
"id": "jvasp-43058",
"created_at": "2022-09-04T14:38:10.545469Z",
"updated_at": "2022-09-04T14:38:10.545493Z",
"structure_string": "Ni6 O2 F10\n1.0\n-4.554423 4.554423 3.076576\n0.078686 4.632024 -3.074918\n-4.632024 -0.078686 -3.074918\nNi O F\n6 2 10\ndirect\n0.844859 0.673645 0.673645 Ni\n0.317213 0.656970 0.656970 Ni\n0.653439 0.340058 0.340058 Ni\n0.177850 0.337784 0.337784 Ni\n0.498909 0.998850 0.998850 Ni\n-0.000177 0.989049 0.989049 Ni\n0.036523 0.767440 0.767440 O\n0.369889 0.434594 0.434594 O\n0.334044 0.969711 0.361321 F\n0.998535 0.302019 0.696275 F\n0.700491 0.102602 0.102602 F\n0.965268 0.231256 0.231256 F\n0.668784 0.033859 0.638058 F\n0.300885 0.893125 0.893125 F\n0.334044 0.361321 0.969711 F\n0.668784 0.638058 0.033859 F\n0.632110 0.573379 0.573379 F\n0.998535 0.696275 0.302019 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ni",
"O",
"F"
],
"chemical_system": "F-Ni-O",
"density": 4.816718559960394,
"density_atomic": 0.0909398909764355,
"volume": 197.93294017324246,
"volume_molar": 6.622111259799583,
"formula_full": "Ni6 O2 F10",
"formula_reduced": "Ni3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.4536602347222224,
"spacegroup": 8
},
{
"id": "jvasp-14544",
"created_at": "2022-09-04T14:38:10.546664Z",
"updated_at": "2022-09-04T14:38:10.546693Z",
"structure_string": "Er1 Ga2\n1.0\n2.088584 -3.617533 -0.000000\n2.088584 3.617533 0.000000\n0.000000 0.000000 4.027310\nEr Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.666666 0.333332 0.500000 Ga\n0.333332 0.666666 0.500000 Ga\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Er",
"Ga"
],
"chemical_system": "Er-Ga",
"density": 8.368747201664481,
"density_atomic": 0.04929600787469653,
"volume": 60.85685493286951,
"volume_molar": 12.216284887221352,
"formula_full": "Er1 Ga2",
"formula_reduced": "ErGa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1344444444444444,
"spacegroup": 191
},
{
"id": "jvasp-77017",
"created_at": "2022-09-04T14:38:10.553966Z",
"updated_at": "2022-09-04T14:38:10.553994Z",
"structure_string": "Zr1 Sc2 Tl1\n1.0\n-10.340595 0.000000 -5.970145\n-6.711022 0.263887 -0.316459\n-5.808270 2.817255 -1.880072\nZr Sc Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.741473 0.000000 -0.000000 Sc\n0.258526 0.000000 -0.000000 Sc\n0.500000 0.000000 -0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Sc",
"Tl"
],
"chemical_system": "Sc-Tl-Zr",
"density": 6.4250808971105595,
"density_atomic": 0.040146118997882195,
"volume": 99.63603207102061,
"volume_molar": 15.000555247489011,
"formula_full": "Zr1 Sc2 Tl1",
"formula_reduced": "ZrSc2Tl",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2899244000000003,
"spacegroup": 71
},
{
"id": "jvasp-42201",
"created_at": "2022-09-04T14:38:10.554619Z",
"updated_at": "2022-09-04T14:38:10.554653Z",
"structure_string": "Fe8 O14 F2\n1.0\n-4.303336 4.303336 5.734500\n0.064390 4.363306 -2.864091\n-4.363306 -0.064390 -2.864091\nFe O F\n8 14 2\ndirect\n0.619688 0.889724 0.871212 Fe\n0.880314 0.628789 0.610277 Fe\n0.500001 0.500000 0.500000 Fe\n0.250001 0.772442 0.727559 Fe\n0.750001 0.227559 0.272442 Fe\n0.119687 0.371212 0.389724 Fe\n0.380313 0.110277 0.128789 Fe\n0.000000 0.000000 0.000000 Fe\n0.000152 0.696428 0.304826 O\n-0.000151 0.303572 0.695174 O\n0.500152 0.804827 0.196428 O\n0.250000 0.059325 0.440675 O\n0.776755 0.024837 0.030831 O\n0.528087 0.274459 0.278208 O\n0.028087 0.778208 0.774459 O\n0.471915 0.725542 0.721792 O\n0.971915 0.221792 0.225542 O\n0.723246 0.469170 0.475163 O\n0.223246 0.975163 0.969170 O\n0.750001 0.940675 0.559326 O\n0.499849 0.195174 0.803573 O\n0.276755 0.530831 0.524837 O\n0.750001 0.549839 0.950162 F\n0.250000 0.450162 0.049839 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.391320014971118,
"density_atomic": 0.1099423865407866,
"volume": 218.29615269536143,
"volume_molar": 5.4775423287413325,
"formula_full": "Fe8 O14 F2",
"formula_reduced": "Fe4O7F",
"formula_anonymous": "AB4C7",
"energy_above_hull": 2.971064731875,
"spacegroup": 15
},
{
"id": "jvasp-44375",
"created_at": "2022-09-04T14:38:10.556725Z",
"updated_at": "2022-09-04T14:38:10.556760Z",
"structure_string": "Li4 Ni4 Sb2 O12\n1.0\n5.184858 0.050727 -0.000000\n-2.561721 4.508094 -0.000000\n0.000000 0.000000 9.871310\nLi Ni Sb O\n4 4 2 12\ndirect\n0.136231 0.636230 0.750000 Li\n0.363769 0.863769 0.250000 Li\n0.636231 0.136231 0.750000 Li\n0.863770 0.363770 0.250000 Li\n0.164834 0.835165 0.500000 Ni\n0.335166 0.664834 0.000000 Ni\n0.664835 0.335166 0.000000 Ni\n0.835166 0.164835 0.500000 Ni\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.525681 0.180666 0.389118 O\n0.834876 0.834875 0.400467 O\n0.319334 0.974318 0.889118 O\n0.665125 0.665124 0.900467 O\n0.334876 0.334876 0.099532 O\n0.025681 0.680665 0.110882 O\n0.474319 0.819334 0.610882 O\n0.180666 0.525681 0.389118 O\n0.974320 0.319335 0.889118 O\n0.819335 0.474319 0.610882 O\n0.165125 0.165124 0.599533 O\n0.680666 0.025681 0.110882 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Sb",
"O"
],
"chemical_system": "Li-Ni-O-Sb",
"density": 4.9960117805323865,
"density_atomic": 0.09482225011408843,
"volume": 232.01305572827047,
"volume_molar": 6.350978544333496,
"formula_full": "Li4 Ni4 Sb2 O12",
"formula_reduced": "Li2Ni2SbO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.0163410818181813,
"spacegroup": 64
},
{
"id": "jvasp-109363",
"created_at": "2022-09-04T14:38:10.557860Z",
"updated_at": "2022-09-04T14:38:10.557880Z",
"structure_string": "Sn1 Se1 S1\n1.0\n3.800975 0.000000 0.000000\n-1.900487 3.291741 0.000000\n-0.000000 -0.000000 6.026186\nSn Se S\n1 1 1\ndirect\n0.333332 0.666666 0.008087 Sn\n0.000000 0.000000 0.739691 Se\n0.666665 0.333333 0.252224 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sn",
"Se",
"S"
],
"chemical_system": "S-Se-Sn",
"density": 5.0595636071088075,
"density_atomic": 0.0397885445013326,
"volume": 75.39858614078038,
"volume_molar": 15.135363294825488,
"formula_full": "Sn1 Se1 S1",
"formula_reduced": "SnSeS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9684116888888892,
"spacegroup": 156
},
{
"id": "jvasp-98497",
"created_at": "2022-09-04T14:38:10.561540Z",
"updated_at": "2022-09-04T14:38:10.561560Z",
"structure_string": "Ca4 P4 Pt4\n1.0\n4.318346 0.000000 0.000000\n0.000000 6.591569 0.000000\n0.000000 0.000000 8.405725\nCa P Pt\n4 4 4\ndirect\n0.000000 0.864549 0.127384 Ca\n0.000000 0.931878 0.585222 Ca\n0.000000 0.431878 0.414778 Ca\n0.000000 0.364549 0.872615 Ca\n0.500000 0.169288 0.071033 P\n0.500000 0.747480 0.383572 P\n0.500000 0.669288 0.928967 P\n0.500000 0.247480 0.616427 P\n0.500000 0.116483 0.342592 Pt\n0.500000 0.496123 0.169449 Pt\n0.500000 0.996123 0.830551 Pt\n0.500000 0.616483 0.657408 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"P",
"Pt"
],
"chemical_system": "Ca-P-Pt",
"density": 7.388068422870409,
"density_atomic": 0.05015333640401054,
"volume": 239.266235516894,
"volume_molar": 12.007457911650393,
"formula_full": "Ca4 P4 Pt4",
"formula_reduced": "CaPPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1251757733333332,
"spacegroup": 26
},
{
"id": "jvasp-97749",
"created_at": "2022-09-04T14:38:10.561896Z",
"updated_at": "2022-09-04T14:38:10.561913Z",
"structure_string": "La6 Ga8 Cl2\n1.0\n7.084867 -0.002779 -3.985777\n-4.661169 6.658112 -0.157514\n-0.001945 0.002779 8.129069\nLa Ga Cl\n6 8 2\ndirect\n0.821269 0.160635 0.660634 La\n0.499999 0.660635 0.839365 La\n0.500000 0.339365 0.160635 La\n-0.000000 0.250000 0.250000 La\n0.178730 0.839365 0.339365 La\n-0.000001 0.750000 0.750000 La\n0.786056 0.445685 0.945685 Ga\n0.500000 0.340371 0.554315 Ga\n0.786056 0.840371 0.340371 Ga\n0.500000 0.945685 0.159629 Ga\n0.500000 0.054315 0.840371 Ga\n0.213944 0.554315 0.054315 Ga\n0.500000 0.659629 0.445685 Ga\n0.213943 0.159629 0.659629 Ga\n0.000000 0.000000 0.000000 Cl\n-0.000000 0.500000 0.500000 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Ga",
"Cl"
],
"chemical_system": "Cl-Ga-La",
"density": 6.3332275277853425,
"density_atomic": 0.04173612463074517,
"volume": 383.3609407092268,
"volume_molar": 14.429084667731113,
"formula_full": "La6 Ga8 Cl2",
"formula_reduced": "La3Ga4Cl",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.4460185459375,
"spacegroup": 140
},
{
"id": "jvasp-10228",
"created_at": "2022-09-04T14:38:10.562828Z",
"updated_at": "2022-09-04T14:38:10.562848Z",
"structure_string": "Na5 Re1 O6\n1.0\n5.541344 -0.262585 -1.007368\n-2.782614 4.799219 -1.007368\n0.012630 0.020771 5.603239\nNa Re O\n5 1 6\ndirect\n0.825871 0.174130 0.500000 Na\n0.333817 0.666184 -0.000000 Na\n0.666184 0.333817 -0.000000 Na\n0.500000 0.500001 0.500000 Na\n0.174130 0.825871 0.500000 Na\n0.000000 0.000000 0.000000 Re\n0.795135 0.795135 0.206710 O\n0.350223 0.070665 0.215006 O\n0.929336 0.649778 0.784993 O\n0.649778 0.929336 0.784993 O\n0.070665 0.350223 0.215006 O\n0.204866 0.204866 0.793290 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Re",
"O"
],
"chemical_system": "Na-O-Re",
"density": 4.543244796098729,
"density_atomic": 0.08266872946595755,
"volume": 145.15766817175438,
"volume_molar": 7.284665917697307,
"formula_full": "Na5 Re1 O6",
"formula_reduced": "Na5ReO6",
"formula_anonymous": "AB5C6",
"energy_above_hull": 1.6571303333333334,
"spacegroup": 12
},
{
"id": "jvasp-14397",
"created_at": "2022-09-04T14:38:10.568870Z",
"updated_at": "2022-09-04T14:38:10.568886Z",
"structure_string": "Ti4 Al2 N2\n1.0\n1.500381 -2.598735 0.000000\n1.500381 2.598735 0.000000\n0.000000 0.000000 13.634213\nTi Al N\n4 2 2\ndirect\n0.666667 0.333332 0.914504 Ti\n0.333332 0.666667 0.414504 Ti\n0.333332 0.666667 0.085495 Ti\n0.666667 0.333332 0.585495 Ti\n0.666667 0.333332 0.250000 Al\n0.333332 0.666667 0.750000 Al\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Al",
"N"
],
"chemical_system": "Al-N-Ti",
"density": 4.270656409489383,
"density_atomic": 0.07524304548485948,
"volume": 106.32211852203368,
"volume_molar": 8.003584545513625,
"formula_full": "Ti4 Al2 N2",
"formula_reduced": "Ti2AlN",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.305345679166667,
"spacegroup": 194
},
{
"id": "jvasp-14497",
"created_at": "2022-09-04T14:38:10.574172Z",
"updated_at": "2022-09-04T14:38:10.574197Z",
"structure_string": "Y2 Al4\n1.0\n4.829578 -0.000000 2.788358\n1.609859 4.553370 2.788358\n-0.000000 -0.000000 5.576717\nY Al\n2 4\ndirect\n0.875001 0.875000 0.875001 Y\n0.125000 0.125000 0.125000 Y\n0.500000 0.500000 0.500001 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Al"
],
"chemical_system": "Al-Y",
"density": 3.868976967695225,
"density_atomic": 0.04892496436001186,
"volume": 122.6367781455967,
"volume_molar": 12.308932339094584,
"formula_full": "Y2 Al4",
"formula_reduced": "YAl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6718936833333338,
"spacegroup": 227
},
{
"id": "jvasp-18165",
"created_at": "2022-09-04T14:38:10.575351Z",
"updated_at": "2022-09-04T14:38:10.575389Z",
"structure_string": "Tb2 Co2 C2\n1.0\n3.619116 -0.000000 0.000000\n0.000000 3.619116 0.000000\n0.000000 0.000000 6.977141\nTb Co C\n2 2 2\ndirect\n0.000000 0.000000 0.750000 Tb\n0.000000 0.000000 0.250000 Tb\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.000000 C\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Co",
"C"
],
"chemical_system": "C-Co-Tb",
"density": 8.353672713935758,
"density_atomic": 0.06565514185729028,
"volume": 91.38659715398613,
"volume_molar": 9.172382527311997,
"formula_full": "Tb2 Co2 C2",
"formula_reduced": "TbCoC",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0495564333333336,
"spacegroup": 131
}
]
}