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=-created_at&page=1245",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=1243",
"results": [
{
"id": "jvasp-52533",
"created_at": "2022-09-04T14:38:07.371115Z",
"updated_at": "2022-09-04T14:38:07.371140Z",
"structure_string": "Ba6 Br4 O4\n1.0\n0.000000 7.471254 -0.028817\n8.215894 0.000000 0.000000\n0.000000 -3.224382 -7.065624\nBa Br O\n6 4 4\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.405759 0.879085 0.769095 Ba\n0.594241 0.379085 0.730905 Ba\n0.405759 0.620915 0.269095 Ba\n0.594241 0.120915 0.230905 Ba\n0.185127 0.346404 0.926190 Br\n0.185127 0.153596 0.426190 Br\n0.814872 0.846404 0.573810 Br\n0.814872 0.653596 0.073810 Br\n0.341341 0.612496 0.567277 O\n0.658659 0.112497 0.932723 O\n0.341341 0.887503 0.067277 O\n0.658659 0.387503 0.432723 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Br",
"O"
],
"chemical_system": "Ba-Br-O",
"density": 4.615309406742133,
"density_atomic": 0.032222959847103196,
"volume": 434.47281275306506,
"volume_molar": 18.688974534229146,
"formula_full": "Ba6 Br4 O4",
"formula_reduced": "Ba3(BrO)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.3384889214285713,
"spacegroup": 14
},
{
"id": "jvasp-37883",
"created_at": "2022-09-04T14:38:07.370693Z",
"updated_at": "2022-09-04T14:38:07.370709Z",
"structure_string": "Ca1 B1 O3\n1.0\n3.468591 0.000000 -0.000000\n0.000000 3.468591 -0.000000\n0.000000 0.000000 3.468591\nCa B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"B",
"O"
],
"chemical_system": "B-Ca-O",
"density": 3.9348655607328804,
"density_atomic": 0.11981487132105405,
"volume": 41.731046779677946,
"volume_molar": 5.0262047553873055,
"formula_full": "Ca1 B1 O3",
"formula_reduced": "CaBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.0300247006666665,
"spacegroup": 221
},
{
"id": "jvasp-40221",
"created_at": "2022-09-04T14:38:07.370010Z",
"updated_at": "2022-09-04T14:38:07.370038Z",
"structure_string": "Be1 Si1 Os2\n1.0\n0.000000 2.895877 2.895877\n2.895877 -0.000000 2.895877\n2.895877 2.895877 0.000000\nBe Si Os\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Be\n0.750001 0.750001 0.750001 Si\n0.500001 0.500001 0.500001 Os\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Si",
"Os"
],
"chemical_system": "Be-Os-Si",
"density": 14.275628741304944,
"density_atomic": 0.08235494108078638,
"volume": 48.57024906466979,
"volume_molar": 7.312421915392495,
"formula_full": "Be1 Si1 Os2",
"formula_reduced": "BeSiOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.163041175,
"spacegroup": 225
},
{
"id": "jvasp-38404",
"created_at": "2022-09-04T14:38:07.365939Z",
"updated_at": "2022-09-04T14:38:07.365966Z",
"structure_string": "Pr2 Ni1 Ir1\n1.0\n-0.000000 3.547013 3.547013\n3.547013 0.000000 3.547013\n3.547013 3.547013 -0.000000\nPr Ni Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.499999 0.499999 0.499999 Pr\n0.749999 0.749999 0.749999 Ni\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Ni",
"Ir"
],
"chemical_system": "Ir-Ni-Pr",
"density": 9.911386453001331,
"density_atomic": 0.04481688371134184,
"volume": 89.25207798389867,
"volume_molar": 13.437214418538371,
"formula_full": "Pr2 Ni1 Ir1",
"formula_reduced": "Pr2NiIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1342458000000004,
"spacegroup": 225
},
{
"id": "jvasp-51068",
"created_at": "2022-09-04T14:38:07.362200Z",
"updated_at": "2022-09-04T14:38:07.362230Z",
"structure_string": "Fe1 Ni1 N1\n1.0\n2.786847 0.000000 -0.000000\n0.000000 2.786847 0.000000\n-0.000000 0.000000 3.737082\nFe Ni N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500001 0.500001 0.500000 Ni\n0.500001 0.500001 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Fe",
"Ni",
"N"
],
"chemical_system": "Fe-N-Ni",
"density": 7.354374546595539,
"density_atomic": 0.10336235003123001,
"volume": 29.024107898993947,
"volume_molar": 5.826242106705648,
"formula_full": "Fe1 Ni1 N1",
"formula_reduced": "FeNiN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.82599705,
"spacegroup": 123
},
{
"id": "jvasp-36920",
"created_at": "2022-09-04T14:38:07.361313Z",
"updated_at": "2022-09-04T14:38:07.361327Z",
"structure_string": "Ni1 Bi1 O3\n1.0\n3.787530 -0.026213 -0.019471\n0.028964 4.006190 -0.028013\n0.021129 0.086055 3.836478\nNi Bi O\n1 1 3\ndirect\n0.493961 0.504460 0.493777 Ni\n-0.005466 0.074833 0.040879 Bi\n0.493743 0.983646 0.452046 O\n0.493833 0.443486 0.988780 O\n0.993931 0.443573 0.484525 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ni",
"Bi",
"O"
],
"chemical_system": "Bi-Ni-O",
"density": 9.002496015176565,
"density_atomic": 0.08587124960951188,
"volume": 58.22670594333769,
"volume_molar": 7.012988383638163,
"formula_full": "Ni1 Bi1 O3",
"formula_reduced": "NiBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.73245344,
"spacegroup": 6
},
{
"id": "jvasp-36770",
"created_at": "2022-09-04T14:38:07.360121Z",
"updated_at": "2022-09-04T14:38:07.360140Z",
"structure_string": "Tl1 Au1 O2\n1.0\n-3.388228 0.000000 0.932945\n-1.822556 3.004790 -0.000000\n-3.390684 -0.001490 -5.695051\nTl Au O\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Au\n0.893075 0.893073 0.320780 O\n0.106927 0.106927 0.679220 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Au",
"O"
],
"chemical_system": "Au-O-Tl",
"density": 10.66244887480898,
"density_atomic": 0.05926938060362951,
"volume": 67.48847312494185,
"volume_molar": 10.160627120896923,
"formula_full": "Tl1 Au1 O2",
"formula_reduced": "TlAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0227817925,
"spacegroup": 166
},
{
"id": "jvasp-18313",
"created_at": "2022-09-04T14:38:07.356549Z",
"updated_at": "2022-09-04T14:38:07.356573Z",
"structure_string": "U1 Bi1\n1.0\n3.890124 -0.000000 2.245964\n1.296708 3.667644 2.245964\n-0.000000 -0.000000 4.491927\nU Bi\n1 1\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"Bi"
],
"chemical_system": "Bi-U",
"density": 11.581967900224438,
"density_atomic": 0.031206616702035443,
"volume": 64.08897251170296,
"volume_molar": 19.2976406814623,
"formula_full": "U1 Bi1",
"formula_reduced": "UBi",
"formula_anonymous": "AB",
"energy_above_hull": 2.36937515,
"spacegroup": 225
},
{
"id": "jvasp-46914",
"created_at": "2022-09-04T14:38:07.353555Z",
"updated_at": "2022-09-04T14:38:07.353572Z",
"structure_string": "Li4 V3 O1 F11\n1.0\n5.539669 -0.000846 -0.036082\n-0.850039 6.020829 -0.027295\n-1.187278 -1.528452 5.993081\nLi V O F\n4 3 1 11\ndirect\n0.856523 0.663576 0.451424 Li\n0.615314 0.144733 0.361456 Li\n0.382629 0.872258 0.643899 Li\n0.136537 0.330493 0.541487 Li\n0.300236 0.618053 0.137638 V\n0.991450 0.974901 0.998872 V\n0.696422 0.399719 0.868968 V\n0.940751 0.673473 0.021349 O\n0.431138 0.600592 0.849168 F\n0.669131 0.051570 0.870911 F\n0.165741 0.576515 0.397869 F\n0.416604 0.204493 0.599413 F\n0.570919 0.410836 0.158495 F\n0.831503 0.415923 0.601568 F\n0.339991 0.954239 0.129675 F\n0.058886 0.898266 0.703562 F\n0.933988 0.104505 0.288124 F\n0.574687 0.799791 0.404078 F\n0.087541 0.306066 0.972040 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.3783170780430174,
"density_atomic": 0.09531005725179954,
"volume": 199.34937138694522,
"volume_molar": 6.318473552156318,
"formula_full": "Li4 V3 O1 F11",
"formula_reduced": "Li4V3OF11",
"formula_anonymous": "AB3C4D11",
"energy_above_hull": 0.9471325898684207,
"spacegroup": 1
},
{
"id": "jvasp-16787",
"created_at": "2022-09-04T14:38:07.342464Z",
"updated_at": "2022-09-04T14:38:07.342490Z",
"structure_string": "Pr1 Pt3\n1.0\n4.226731 -0.000000 -0.000000\n0.000000 4.226731 -0.000000\n0.000000 -0.000000 4.226731\nPr Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Pt"
],
"chemical_system": "Pr-Pt",
"density": 15.968619891286327,
"density_atomic": 0.05297197483307965,
"volume": 75.51162690468738,
"volume_molar": 11.368541155915763,
"formula_full": "Pr1 Pt3",
"formula_reduced": "PrPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.1734160125000006,
"spacegroup": 221
},
{
"id": "jvasp-46904",
"created_at": "2022-09-04T14:38:07.341742Z",
"updated_at": "2022-09-04T14:38:07.341771Z",
"structure_string": "Li6 Ni1 O1 F6\n1.0\n-0.000000 -2.004860 -2.004860\n-0.000000 2.004860 -2.004860\n14.557043 0.000000 2.004860\nLi Ni O F\n6 1 1 6\ndirect\n0.575489 0.575489 0.150978 Li\n0.146546 0.146546 0.293090 Li\n0.715377 0.715377 0.430754 Li\n0.284623 0.284623 0.569246 Li\n0.853454 0.853454 0.706910 Li\n0.424511 0.424511 0.849022 Li\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 O\n0.077577 0.077577 0.155153 F\n0.646158 0.646158 0.292316 F\n0.215455 0.215455 0.430909 F\n0.784545 0.784545 0.569091 F\n0.353842 0.353842 0.707684 F\n0.922423 0.922423 0.844847 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 3.2683372980398753,
"density_atomic": 0.11963459203815346,
"volume": 117.02300949490568,
"volume_molar": 5.033778823836704,
"formula_full": "Li6 Ni1 O1 F6",
"formula_reduced": "Li6NiOF6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 0.3966476853571427,
"spacegroup": 139
},
{
"id": "jvasp-5653",
"created_at": "2022-09-04T14:38:07.341064Z",
"updated_at": "2022-09-04T14:38:07.341083Z",
"structure_string": "Al2 Te2 I14\n1.0\n0.000000 7.769011 -0.242164\n7.404501 0.000000 0.000000\n0.000000 -3.718428 -13.941911\nAl Te I\n2 2 14\ndirect\n0.694303 0.998598 0.349867 Al\n0.694303 0.001402 0.849867 Al\n0.002646 0.598360 0.492573 Te\n0.002646 0.401640 0.992573 Te\n0.469732 0.821527 0.224844 I\n0.469731 0.178473 0.724844 I\n0.651885 0.339871 0.327672 I\n0.651884 0.660128 0.827672 I\n0.666221 0.883161 0.513625 I\n0.666221 0.116839 0.013625 I\n0.008904 0.067768 0.827557 I\n0.950791 0.634565 0.134027 I\n0.217275 0.844849 0.612439 I\n0.217275 0.155151 0.112439 I\n0.276142 0.423031 0.432874 I\n0.950790 0.365434 0.634027 I\n0.276142 0.576969 0.932874 I\n0.008904 0.932232 0.327557 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"Te",
"I"
],
"chemical_system": "Al-I-Te",
"density": 4.282996376835354,
"density_atomic": 0.022258357287127297,
"volume": 808.6850151520374,
"volume_molar": 27.055638843046125,
"formula_full": "Al2 Te2 I14",
"formula_reduced": "AlTeI7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.0072082768518518,
"spacegroup": 7
}
]
}