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=volume_molar&page=322",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=320",
"results": [
{
"id": "jvasp-121343",
"created_at": "2022-09-04T14:38:53.033517Z",
"updated_at": "2022-09-04T14:38:53.033535Z",
"structure_string": "Nd1 Mn5 Cu2 O12\n1.0\n5.990933 -0.087141 -2.130637\n-2.952571 5.202970 -2.156365\n-0.025627 0.087141 6.358478\nNd Mn Cu O\n1 5 2 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 -0.000000 Mn\n0.500000 0.500000 0.499999 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.500000 0.500000 -0.000001 Mn\n0.499999 -0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.127133 0.304144 0.822988 O\n0.481156 0.304145 0.177011 O\n0.821281 0.120585 0.299304 O\n0.178718 0.478023 0.299304 O\n0.821281 0.521977 0.700695 O\n0.303467 0.181400 0.484867 O\n0.696532 0.181400 0.877932 O\n0.696532 0.818600 0.515132 O\n0.872866 0.695855 0.177010 O\n0.303467 0.818600 0.122066 O\n0.178718 0.879415 0.700695 O\n0.518843 0.695855 0.822988 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Nd",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Mn-Nd-O",
"density": 6.191084684849506,
"density_atomic": 0.10103719068575245,
"volume": 197.94691305505842,
"volume_molar": 5.960320867125218,
"formula_full": "Nd1 Mn5 Cu2 O12",
"formula_reduced": "NdMn5(CuO6)2",
"formula_anonymous": "AB2C5D12",
"energy_above_hull": 3.1233875303448277,
"spacegroup": 71
},
{
"id": "jvasp-44733",
"created_at": "2022-09-04T14:38:10.409339Z",
"updated_at": "2022-09-04T14:38:10.409370Z",
"structure_string": "Li4 V4 Co2 O12\n1.0\n5.025161 -0.060065 0.000000\n-2.577254 4.314349 -0.000000\n0.000000 -0.000000 10.115940\nLi V Co O\n4 4 2 12\ndirect\n0.174093 0.674093 0.750000 Li\n0.325908 0.825908 0.250000 Li\n0.674093 0.174093 0.750000 Li\n0.825908 0.325908 0.250000 Li\n0.151827 0.848174 0.500000 V\n0.348174 0.651827 0.000000 V\n0.651827 0.348174 0.000000 V\n0.848174 0.151827 0.500000 V\n0.000000 0.000000 0.000000 Co\n0.500001 0.500001 0.500000 Co\n0.503635 0.139518 0.393189 O\n0.852635 0.852635 0.386757 O\n0.360483 -0.003635 0.893189 O\n0.647367 0.647367 0.886757 O\n0.352634 0.352634 0.113243 O\n0.003636 0.639518 0.106811 O\n0.496366 0.860483 0.606811 O\n0.139518 0.503635 0.393189 O\n-0.003635 0.360482 0.893189 O\n0.860483 0.496366 0.606811 O\n0.147366 0.147366 0.613243 O\n0.639518 0.003636 0.106811 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-O-V",
"density": 4.128566399662972,
"density_atomic": 0.10103300660586069,
"volume": 217.75062169360237,
"volume_molar": 5.960567701892651,
"formula_full": "Li4 V4 Co2 O12",
"formula_reduced": "Li2V2CoO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.870064572727273,
"spacegroup": 64
},
{
"id": "jvasp-103791",
"created_at": "2022-09-04T14:36:58.983588Z",
"updated_at": "2022-09-04T14:36:58.983607Z",
"structure_string": "H8 C6 S2 O2\n1.0\n4.692094 -0.084760 1.114895\n0.934464 5.437794 1.548088\n0.192656 -0.032521 6.999779\nH C S O\n8 6 2 2\ndirect\n0.354781 0.956668 0.850772 H\n0.570761 0.461517 0.689388 H\n0.487799 0.305526 0.946424 H\n0.430903 0.109097 0.591347 H\n0.354666 0.456649 0.350777 H\n0.570634 0.961498 0.189398 H\n0.487677 0.805509 0.446433 H\n0.430759 0.609091 0.091358 H\n0.862929 0.132351 0.768103 C\n0.862806 0.632337 0.268107 C\n0.359476 0.637016 0.246670 C\n0.561711 0.277932 0.790219 C\n0.359601 0.137033 0.746657 C\n0.561589 0.777914 0.290229 C\n0.935511 0.344156 0.249112 S\n0.935617 0.844155 0.749143 S\n0.062639 0.265700 0.768252 O\n0.062513 0.765673 0.268280 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6427945763902037,
"density_atomic": 0.10103258777587025,
"volume": 178.16033812705098,
"volume_molar": 5.9605924113905315,
"formula_full": "H8 C6 S2 O2",
"formula_reduced": "H4C3SO",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 4.277704833333332,
"spacegroup": 1
},
{
"id": "jvasp-62415",
"created_at": "2022-09-04T14:35:52.340379Z",
"updated_at": "2022-09-04T14:35:52.340405Z",
"structure_string": "Ca2 B4 H16\n1.0\n-2.924649 2.924649 6.364967\n2.924649 -2.924649 6.364967\n2.924649 2.924649 -6.364967\nCa B H\n2 4 16\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Ca\n0.228192 0.228192 0.000000 B\n0.771808 0.771808 0.000000 B\n0.521808 0.021808 0.500000 B\n0.978192 0.478192 0.500000 B\n0.591882 0.077272 0.738325 H\n0.338947 0.853558 0.261675 H\n0.827272 0.841882 0.238325 H\n0.603558 0.588947 0.761675 H\n0.411053 0.172728 0.014610 H\n0.158118 0.396442 0.985390 H\n0.785411 0.320558 0.258360 H\n0.472951 0.214590 0.535149 H\n0.679442 0.937803 0.464852 H\n0.922729 0.661053 0.514610 H\n0.687802 0.929442 0.964852 H\n0.964590 0.722951 0.035149 H\n0.277049 0.312198 0.241640 H\n0.070558 0.035410 0.758360 H\n0.062198 0.527049 0.741640 H\n0.146442 0.408118 0.485390 H\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ca",
"B",
"H"
],
"chemical_system": "B-Ca-H",
"density": 1.0639073932284169,
"density_atomic": 0.1010227134156125,
"volume": 217.77280827422342,
"volume_molar": 5.961175023308483,
"formula_full": "Ca2 B4 H16",
"formula_reduced": "Ca(BH4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.167617780606061,
"spacegroup": 122
},
{
"id": "jvasp-21643",
"created_at": "2022-09-04T14:38:32.356821Z",
"updated_at": "2022-09-04T14:38:32.356849Z",
"structure_string": "Er4 V4 B16\n1.0\n3.438067 0.000000 0.000000\n0.000000 5.975988 0.000000\n0.000000 -0.000000 11.563083\nEr V B\n4 4 16\ndirect\n0.500000 0.124084 0.848580 Er\n0.500000 0.875917 0.151419 Er\n0.500000 0.624084 0.651419 Er\n0.500000 0.375916 0.348581 Er\n0.500000 0.127425 0.583060 V\n0.500000 0.872576 0.416939 V\n0.500000 0.627425 0.916939 V\n0.500000 0.372575 0.083060 V\n0.000000 0.884715 0.547787 B\n0.000000 0.115286 0.452212 B\n0.000000 0.476943 0.807217 B\n0.000000 0.523058 0.192783 B\n0.000000 0.976943 0.692783 B\n0.000000 0.023057 0.307217 B\n0.000000 0.134904 0.032284 B\n0.000000 0.212697 0.185946 B\n0.000000 0.634904 0.467716 B\n0.000000 0.365096 0.532284 B\n0.000000 0.615286 0.047787 B\n0.000000 0.787304 0.814054 B\n0.000000 0.712697 0.314054 B\n0.000000 0.287304 0.685946 B\n0.000000 0.865096 0.967716 B\n0.000000 0.384715 0.952212 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Er",
"V",
"B"
],
"chemical_system": "B-Er-V",
"density": 7.3095544104639645,
"density_atomic": 0.10102143797533682,
"volume": 237.57333572958362,
"volume_molar": 5.961250285776208,
"formula_full": "Er4 V4 B16",
"formula_reduced": "ErVB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.245290755555556,
"spacegroup": 55
},
{
"id": "jvasp-118476",
"created_at": "2022-09-04T14:38:51.038347Z",
"updated_at": "2022-09-04T14:38:51.038377Z",
"structure_string": "H1 S1 O1\n1.0\n3.528899 0.000000 -0.000000\n-1.764450 3.056116 0.000000\n0.000000 -0.000000 2.753738\nH S O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.666667 0.333333 0.000000 S\n0.333334 0.666667 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"H",
"S",
"O"
],
"chemical_system": "H-O-S",
"density": 2.743810945568733,
"density_atomic": 0.10101586192193292,
"volume": 29.69830621569571,
"volume_molar": 5.9615793454834165,
"formula_full": "H1 S1 O1",
"formula_reduced": "HSO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3058511666666663,
"spacegroup": 187
},
{
"id": "jvasp-74718",
"created_at": "2022-09-04T14:36:02.759577Z",
"updated_at": "2022-09-04T14:36:02.759595Z",
"structure_string": "Be2 Zn1 Co1\n1.0\n-1.627710 1.627710 3.736510\n1.627710 -1.627710 3.736510\n1.627710 1.627710 -3.736510\nBe Zn Co\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Zn\n0.500000 0.500000 0.000000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Co"
],
"chemical_system": "Be-Co-Zn",
"density": 5.970035069100336,
"density_atomic": 0.10101358575557882,
"volume": 39.598633887512364,
"volume_molar": 5.961713679357636,
"formula_full": "Be2 Zn1 Co1",
"formula_reduced": "Be2ZnCo",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.323533375,
"spacegroup": 119
},
{
"id": "jvasp-88121",
"created_at": "2022-09-04T14:35:45.728053Z",
"updated_at": "2022-09-04T14:35:45.728071Z",
"structure_string": "Tb4 B12 O24\n1.0\n6.097002 -0.000216 0.000000\n-0.005394 7.802130 0.000000\n0.000000 0.000000 8.324985\nTb B O\n4 12 24\ndirect\n0.491537 0.249954 0.499090 Tb\n0.508463 0.750046 0.500911 Tb\n0.008463 0.750046 0.999090 Tb\n0.991537 0.249953 0.000911 Tb\n0.118987 0.506105 0.315232 B\n0.118772 0.994847 0.684817 B\n0.988983 0.249985 0.499474 B\n0.381228 0.005152 0.184817 B\n0.381014 0.493895 0.815233 B\n0.488983 0.249985 0.000526 B\n0.618987 0.506105 0.184768 B\n0.618772 0.994847 0.815184 B\n0.511017 0.750014 0.999475 B\n0.011017 0.750015 0.500526 B\n0.881013 0.493895 0.684768 B\n0.881228 0.005152 0.315183 B\n0.062894 0.007110 0.839972 O\n0.436660 0.505225 0.659963 O\n0.563340 0.494775 0.340038 O\n0.839597 0.333100 0.614558 O\n0.660403 0.666899 0.114557 O\n0.063340 0.494775 0.159963 O\n0.142379 0.364832 0.416448 O\n0.857621 0.635167 0.583552 O\n0.936660 0.505224 0.840038 O\n0.437107 0.992890 0.339972 O\n0.357798 0.864901 0.082390 O\n0.160172 0.833296 0.616038 O\n0.339597 0.333101 0.885443 O\n0.339829 0.166704 0.116038 O\n0.839828 0.166704 0.383962 O\n0.160404 0.666899 0.385443 O\n0.660172 0.833296 0.883963 O\n0.642379 0.364832 0.083552 O\n0.642202 0.135099 0.917611 O\n0.357622 0.635168 0.916449 O\n0.857798 0.864900 0.417610 O\n0.937107 0.992890 0.160029 O\n0.142202 0.135099 0.582390 O\n0.562894 0.007109 0.660029 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Tb",
"B",
"O"
],
"chemical_system": "B-O-Tb",
"density": 4.819638894017436,
"density_atomic": 0.10100596507339443,
"volume": 396.01621519020796,
"volume_molar": 5.962163477794706,
"formula_full": "Tb4 B12 O24",
"formula_reduced": "Tb(BO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.217928715,
"spacegroup": 60
},
{
"id": "jvasp-69948",
"created_at": "2022-09-04T14:36:16.918362Z",
"updated_at": "2022-09-04T14:36:16.918393Z",
"structure_string": "Be2 Co1 Ru1\n1.0\n3.789198 0.000000 0.000000\n0.000000 3.789198 0.000000\n0.000000 0.000000 2.758217\nBe Co Ru\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.500000 0.500000 0.500001 Co\n0.000000 0.000000 0.500001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Ru"
],
"chemical_system": "Be-Co-Ru",
"density": 7.464716267025908,
"density_atomic": 0.10100362519496604,
"volume": 39.60253894133849,
"volume_molar": 5.962301598953044,
"formula_full": "Be2 Co1 Ru1",
"formula_reduced": "Be2CoRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8088309,
"spacegroup": 123
},
{
"id": "jvasp-103958",
"created_at": "2022-09-04T14:36:57.419594Z",
"updated_at": "2022-09-04T14:36:57.419615Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.904088 0.010033 1.675721\n1.929812 4.583083 0.860352\n-0.054904 -0.108725 5.515136\nCd H C O\n1 2 3 4\ndirect\n0.893786 0.515992 0.501287 Cd\n0.584661 0.147015 0.880687 H\n0.594751 0.885201 0.121689 H\n0.122767 0.811694 0.819012 C\n0.736222 0.220235 0.183613 C\n0.749437 0.016038 0.001247 C\n0.967187 0.125873 0.302834 O\n0.481159 0.478480 0.222062 O\n0.164230 0.553442 0.780688 O\n0.378711 0.905980 0.699772 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.59677927392754,
"density_atomic": 0.10100091625879506,
"volume": 99.0090027933703,
"volume_molar": 5.962461513289092,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.627160375,
"spacegroup": 5
},
{
"id": "jvasp-112397",
"created_at": "2022-09-04T14:38:40.862106Z",
"updated_at": "2022-09-04T14:38:40.862141Z",
"structure_string": "Mn6 Cr4 N8\n1.0\n6.049464 -0.057647 -0.377530\n-3.406327 5.499444 -0.000000\n0.023247 0.014399 5.386984\nMn Cr N\n6 4 8\ndirect\n0.360905 0.086593 0.948682 Mn\n0.639094 0.725686 0.551317 Mn\n0.639094 0.913406 0.051317 Mn\n0.360904 0.274312 0.448682 Mn\n-0.000000 0.675213 0.749999 Mn\n-0.000000 0.324786 0.250000 Mn\n0.684399 0.488591 0.131944 Cr\n0.315599 0.804191 0.368055 Cr\n0.684400 0.195808 0.631944 Cr\n0.315599 0.511408 0.868055 Cr\n0.262511 0.753211 0.021122 N\n0.278963 0.992709 0.608823 N\n0.721035 0.713745 0.891176 N\n0.721035 0.007290 0.391177 N\n0.278964 0.286254 0.108823 N\n0.737487 0.246788 0.978878 N\n0.262512 0.509300 0.521121 N\n0.737487 0.490699 0.478878 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"N"
],
"chemical_system": "Cr-Mn-N",
"density": 6.0529384070953105,
"density_atomic": 0.10099487664816445,
"volume": 178.22686256359862,
"volume_molar": 5.962818075395363,
"formula_full": "Mn6 Cr4 N8",
"formula_reduced": "Mn3(CrN2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 5.601891058237548,
"spacegroup": 15
},
{
"id": "jvasp-23421",
"created_at": "2022-09-04T14:37:33.039371Z",
"updated_at": "2022-09-04T14:37:33.039396Z",
"structure_string": "Sm4 Fe4 B16\n1.0\n3.462285 0.000000 0.000000\n0.000000 5.955605 0.000000\n0.000000 0.000000 11.524671\nSm Fe B\n4 4 16\ndirect\n0.000000 0.374773 0.650633 Sm\n0.000000 0.625228 0.349367 Sm\n0.000000 0.874774 0.849367 Sm\n0.000000 0.125227 0.150633 Sm\n0.000000 0.368351 0.912386 Fe\n0.000000 0.631650 0.087614 Fe\n0.000000 0.868351 0.587614 Fe\n0.000000 0.131650 0.412386 Fe\n0.500001 0.641714 0.532173 B\n0.500001 0.358287 0.467827 B\n0.500001 0.221406 0.817682 B\n0.500001 0.778595 0.182318 B\n0.500001 0.721406 0.682318 B\n0.500001 0.278594 0.317682 B\n0.500001 0.389764 0.045118 B\n0.500001 0.475762 0.188380 B\n0.500001 0.889764 0.454882 B\n0.500001 0.110236 0.545118 B\n0.500001 0.858287 0.032173 B\n0.500001 0.524239 0.811620 B\n0.500001 0.975762 0.311620 B\n0.500001 0.024239 0.688379 B\n0.500001 0.610237 0.954882 B\n0.500001 0.141714 0.967827 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sm",
"Fe",
"B"
],
"chemical_system": "B-Fe-Sm",
"density": 6.972260736790366,
"density_atomic": 0.10099363538089876,
"volume": 237.63873742621206,
"volume_molar": 5.9628913617055375,
"formula_full": "Sm4 Fe4 B16",
"formula_reduced": "SmFeB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.137177451388889,
"spacegroup": 55
}
]
}