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_reduced&page=3887",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3885",
"results": [
{
"id": "jvasp-76857",
"created_at": "2022-09-04T14:37:11.359073Z",
"updated_at": "2022-09-04T14:37:11.359108Z",
"structure_string": "Ca2 Tl1 Hg1\n1.0\n-10.904100 -0.000000 -6.295484\n-7.274721 0.313250 0.009218\n-6.207274 3.332445 -1.839655\nCa Tl Hg\n2 1 1\ndirect\n0.759731 0.000001 -0.000000 Ca\n0.240268 0.000000 -0.000000 Ca\n0.500000 0.000001 -0.000000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Hg"
],
"chemical_system": "Ca-Hg-Tl",
"density": 5.4802398771646486,
"density_atomic": 0.02721152975114525,
"volume": 146.99651348457,
"volume_molar": 22.130842385832963,
"formula_full": "Ca2 Tl1 Hg1",
"formula_reduced": "Ca2TlHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1682525,
"spacegroup": 71
},
{
"id": "jvasp-81080",
"created_at": "2022-09-04T14:37:17.856354Z",
"updated_at": "2022-09-04T14:37:17.856371Z",
"structure_string": "Ca2 Tl1 Hg1\n1.0\n-10.904100 -0.000000 -6.295484\n-7.274721 0.313250 0.009218\n-6.207274 3.332445 -1.839655\nCa Tl Hg\n2 1 1\ndirect\n0.759731 0.000001 -0.000000 Ca\n0.240268 0.000000 -0.000000 Ca\n0.500000 0.000001 -0.000000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Hg"
],
"chemical_system": "Ca-Hg-Tl",
"density": 5.4802398771646486,
"density_atomic": 0.02721152975114525,
"volume": 146.99651348457,
"volume_molar": 22.130842385832963,
"formula_full": "Ca2 Tl1 Hg1",
"formula_reduced": "Ca2TlHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1682525,
"spacegroup": 71
},
{
"id": "jvasp-40564",
"created_at": "2022-09-04T14:37:45.240203Z",
"updated_at": "2022-09-04T14:37:45.240229Z",
"structure_string": "Ca2 Tl1 Cd1\n1.0\n-0.000000 3.819311 3.819311\n3.819311 0.000000 3.819311\n3.819311 3.819311 0.000000\nCa Tl Cd\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Tl\n0.249999 0.249999 0.249999 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Cd"
],
"chemical_system": "Ca-Cd-Tl",
"density": 5.915618593090787,
"density_atomic": 0.035898386132850395,
"volume": 111.42562189835114,
"volume_molar": 16.775519483560227,
"formula_full": "Ca2 Tl1 Cd1",
"formula_reduced": "Ca2TlCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0015449999999999,
"spacegroup": 225
},
{
"id": "jvasp-106841",
"created_at": "2022-09-04T14:36:50.718452Z",
"updated_at": "2022-09-04T14:36:50.718482Z",
"structure_string": "Ca2 Tl1 Cd1\n1.0\n3.812036 -0.000000 0.000000\n0.000000 3.812036 0.000000\n0.000000 -0.000000 7.714836\nCa Tl Cd\n2 1 1\ndirect\n0.000000 0.000000 0.753420 Ca\n0.000000 0.000000 0.246580 Ca\n0.500000 0.500000 0.500000 Tl\n0.500000 0.500000 -0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Cd"
],
"chemical_system": "Ca-Cd-Tl",
"density": 5.879556212428709,
"density_atomic": 0.03567954490001819,
"volume": 112.10905327433032,
"volume_molar": 16.878412482208905,
"formula_full": "Ca2 Tl1 Cd1",
"formula_reduced": "Ca2TlCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-117226",
"created_at": "2022-09-04T14:38:49.517896Z",
"updated_at": "2022-09-04T14:38:49.517924Z",
"structure_string": "Ca2 Ti1 Si2 Sn1 O10\n1.0\n5.322355 -0.030380 -1.289524\n-1.923083 5.051172 -1.375390\n0.089112 -0.010583 7.163459\nCa Ti Si Sn O\n2 1 2 1 10\ndirect\n0.164410 0.833225 0.779851 Ca\n0.835589 0.166775 0.220150 Ca\n0.500000 0.500000 0.000000 Ti\n0.179486 0.816210 0.249815 Si\n0.820513 0.183791 0.750186 Si\n0.500000 0.500000 0.500000 Sn\n0.226826 0.111988 0.401761 O\n0.111188 0.259489 0.925907 O\n0.773173 0.888013 0.598240 O\n0.888812 0.740511 0.074094 O\n0.580843 0.422020 0.239012 O\n0.419156 0.577980 0.760989 O\n0.594399 0.181682 0.870436 O\n0.174986 0.611359 0.380314 O\n0.405600 0.818318 0.129565 O\n0.825013 0.388641 0.619687 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ca",
"Ti",
"Si",
"Sn",
"O"
],
"chemical_system": "Ca-O-Si-Sn-Ti",
"density": 3.9900283077860275,
"density_atomic": 0.08305419203081733,
"volume": 192.64530313007182,
"volume_molar": 7.250857076263507,
"formula_full": "Ca2 Ti1 Si2 Sn1 O10",
"formula_reduced": "Ca2TiSi2SnO10",
"formula_anonymous": "ABC2D2E10",
"energy_above_hull": 2.445268942083333,
"spacegroup": 2
},
{
"id": "jvasp-19360",
"created_at": "2022-09-04T14:38:33.881987Z",
"updated_at": "2022-09-04T14:38:33.882014Z",
"structure_string": "Ca4 Ti2 Sb2 O12\n1.0\n0.000000 5.486742 -0.002164\n7.922747 0.000000 0.000000\n0.000000 -0.005833 -5.690123\nCa Ti Sb O\n4 2 2 12\ndirect\n0.484322 0.750000 0.436662 Ca\n0.515678 0.250000 0.563337 Ca\n0.012297 0.750000 0.950884 Ca\n0.987703 0.250000 0.049115 Ca\n0.500000 0.500000 -0.000000 Ti\n0.500000 0.000000 -0.000000 Ti\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.313167 0.552384 0.708541 O\n0.594387 0.750000 0.032312 O\n0.686833 0.052384 0.291458 O\n0.099937 0.250000 0.466210 O\n0.206657 0.947493 0.191613 O\n0.793343 0.052508 0.808386 O\n0.206657 0.552508 0.191613 O\n0.313167 0.947616 0.708541 O\n0.900063 0.750000 0.533789 O\n0.686833 0.447616 0.291458 O\n0.793343 0.447492 0.808386 O\n0.405613 0.250000 0.967687 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb-Ti",
"density": 4.6426511594745685,
"density_atomic": 0.08085704004227837,
"volume": 247.35013784257302,
"volume_molar": 7.447886735466887,
"formula_full": "Ca4 Ti2 Sb2 O12",
"formula_reduced": "Ca2TiSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.001680627333334,
"spacegroup": 11
},
{
"id": "jvasp-94967",
"created_at": "2022-09-04T14:35:41.923280Z",
"updated_at": "2022-09-04T14:35:41.923309Z",
"structure_string": "Ca2 Ti1 O4\n1.0\n3.683015 -0.000000 -1.087185\n-0.320925 3.669007 -1.087185\n-0.065545 -0.071529 6.559948\nCa Ti O\n2 1 4\ndirect\n0.353964 0.353964 0.707925 Ca\n0.646037 0.646037 0.292074 Ca\n0.000000 0.000000 0.000000 Ti\n0.500001 -0.000000 -0.000000 O\n0.000001 0.500000 -0.000000 O\n0.166240 0.166240 0.332479 O\n0.833761 0.833760 0.667520 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 3.6204287157862796,
"density_atomic": 0.07948059709157193,
"volume": 88.07180942457056,
"volume_molar": 7.576869047752265,
"formula_full": "Ca2 Ti1 O4",
"formula_reduced": "Ca2TiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5777133104761905,
"spacegroup": 139
},
{
"id": "jvasp-117993",
"created_at": "2022-09-04T14:38:52.425152Z",
"updated_at": "2022-09-04T14:38:52.425180Z",
"structure_string": "Ca2 Ti1 O3\n1.0\n0.000000 6.943894 2.308555\n2.308253 0.000000 2.308555\n2.308253 6.943894 0.000000\nCa Ti O\n2 1 3\ndirect\n0.897742 0.571896 0.428103 Ca\n0.571895 0.897742 0.102257 Ca\n0.234857 0.234858 0.765141 Ti\n0.392785 0.076873 0.923126 O\n0.076873 0.392785 0.607214 O\n0.734929 0.734929 0.265070 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 3.94963863153854,
"density_atomic": 0.08107641510844789,
"volume": 74.0042587227666,
"volume_molar": 7.427734381132637,
"formula_full": "Ca2 Ti1 O3",
"formula_reduced": "Ca2TiO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4004749455555556,
"spacegroup": 139
},
{
"id": "jvasp-58165",
"created_at": "2022-09-04T14:36:58.556063Z",
"updated_at": "2022-09-04T14:36:58.556088Z",
"structure_string": "Ca4 Ti2 Ir2 O12\n1.0\n0.000000 5.396992 -0.003139\n5.547233 0.000000 0.000000\n0.000000 -5.376459 -7.703725\nCa Ti Ir O\n4 2 2 12\ndirect\n0.262523 0.052029 0.250427 Ca\n0.737477 0.552029 0.249573 Ca\n0.262524 0.447970 0.750428 Ca\n0.737477 0.947970 0.749574 Ca\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.754912 0.208815 0.953909 O\n0.660659 0.701315 0.956067 O\n0.245088 0.708815 0.546092 O\n0.840127 0.976491 0.253216 O\n0.159874 0.023508 0.746785 O\n0.245088 0.791184 0.046092 O\n0.339341 0.298684 0.043934 O\n0.660659 0.798684 0.456067 O\n0.339341 0.201316 0.543934 O\n0.840127 0.523508 0.753216 O\n0.754912 0.291184 0.453909 O\n0.159873 0.476491 0.246785 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"Ir",
"O"
],
"chemical_system": "Ca-Ir-O-Ti",
"density": 5.991201763162093,
"density_atomic": 0.08668117529315249,
"volume": 230.73060479810928,
"volume_molar": 6.947460898670727,
"formula_full": "Ca4 Ti2 Ir2 O12",
"formula_reduced": "Ca2TiIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.376288127333333,
"spacegroup": 14
},
{
"id": "jvasp-50476",
"created_at": "2022-09-04T14:36:45.029316Z",
"updated_at": "2022-09-04T14:36:45.029343Z",
"structure_string": "Ca2 Ti6 N2 O11\n1.0\n3.760512 -0.008709 0.002924\n-1.861929 7.436821 0.007159\n-0.012383 -1.846772 9.376851\nCa Ti N O\n2 6 2 11\ndirect\n0.550883 0.102997 0.732557 Ca\n0.467694 0.936118 0.195275 Ca\n0.126835 0.254807 0.069120 Ti\n0.158974 0.319046 0.434588 Ti\n0.236338 0.473827 0.748754 Ti\n0.776447 0.554202 0.244607 Ti\n0.835046 0.671495 0.570780 Ti\n0.888549 0.778300 0.893836 Ti\n0.293496 0.588297 0.587140 N\n0.937122 0.875577 0.727796 N\n0.846111 0.693535 0.114741 O\n0.355740 0.712676 0.900191 O\n0.238095 0.477458 0.243953 O\n0.751370 0.503901 0.771107 O\n0.055820 0.112499 0.302418 O\n0.640720 0.282595 0.113205 O\n0.143111 0.287325 0.887560 O\n0.116926 0.234866 0.609613 O\n0.876278 0.754497 0.400196 O\n0.696265 0.393684 0.425689 O\n0.000107 0.001372 0.026753 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"N",
"O"
],
"chemical_system": "Ca-N-O-Ti",
"density": 3.6192923149540497,
"density_atomic": 0.08010882773583643,
"volume": 262.143394099446,
"volume_molar": 7.517449612242939,
"formula_full": "Ca2 Ti6 N2 O11",
"formula_reduced": "Ca2Ti6N2O11",
"formula_anonymous": "A2B2C6D11",
"energy_above_hull": 3.415318849523809,
"spacegroup": 8
},
{
"id": "jvasp-9459",
"created_at": "2022-09-04T14:38:06.315525Z",
"updated_at": "2022-09-04T14:38:06.315553Z",
"structure_string": "Ca2 Ti3 O8\n1.0\n4.845335 -0.011687 -1.535062\n-0.894743 5.317786 -2.864692\n-0.040130 -0.082863 6.366546\nCa Ti O\n2 3 8\ndirect\n0.661873 0.725511 0.451020 Ca\n0.338126 0.274491 0.548981 Ca\n0.500000 1.000000 0.000001 Ti\n0.999998 0.733976 0.000000 Ti\n0.999998 0.266024 -0.000000 Ti\n0.047898 0.395640 0.791280 O\n0.952102 0.604360 0.208722 O\n0.093983 0.899987 0.799974 O\n0.906017 0.100013 0.200027 O\n0.394094 0.324806 0.208577 O\n0.394095 0.883770 0.208578 O\n0.605906 0.116230 0.791424 O\n0.605906 0.675194 0.791424 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 3.5970223210514556,
"density_atomic": 0.08005723109687873,
"volume": 162.3838324394265,
"volume_molar": 7.5222945853729275,
"formula_full": "Ca2 Ti3 O8",
"formula_reduced": "Ca2Ti3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.566391833846154,
"spacegroup": 12
},
{
"id": "jvasp-117223",
"created_at": "2022-09-04T14:38:48.771121Z",
"updated_at": "2022-09-04T14:38:48.771148Z",
"structure_string": "Ca2 Ti2 Si1 Ge1 O10\n1.0\n5.364429 -0.013955 1.342773\n-1.916062 5.010589 1.342773\n-0.012341 -0.017882 7.120537\nCa Ti Si Ge O\n2 2 1 1 10\ndirect\n0.827799 0.172200 0.500000 Ca\n0.171805 0.828195 -0.000000 Ca\n0.499202 0.504029 0.746351 Ti\n0.495971 0.500798 0.253649 Ti\n0.179831 0.820170 0.500000 Si\n0.817018 0.182981 -0.000000 Ge\n0.386150 0.812565 0.633838 O\n0.187435 0.613851 0.366162 O\n0.597249 0.181173 0.856292 O\n0.818827 0.402750 0.143708 O\n0.755239 0.868326 0.177024 O\n0.131674 0.244761 0.822976 O\n0.250708 0.120864 0.340359 O\n0.879136 0.749292 0.659640 O\n0.431998 0.568002 -0.000000 O\n0.569964 0.430036 0.500000 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ca",
"Ti",
"Si",
"Ge",
"O"
],
"chemical_system": "Ca-Ge-O-Si-Ti",
"density": 3.7867243432595346,
"density_atomic": 0.08356826691973716,
"volume": 191.46023472482852,
"volume_molar": 7.206253021597233,
"formula_full": "Ca2 Ti2 Si1 Ge1 O10",
"formula_reduced": "Ca2Ti2SiGeO10",
"formula_anonymous": "ABC2D2E10",
"energy_above_hull": 2.525365441041666,
"spacegroup": 5
}
]
}