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=3557",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=3555",
"results": [
{
"id": "jvasp-90347",
"created_at": "2022-09-04T14:36:16.988434Z",
"updated_at": "2022-09-04T14:36:16.988458Z",
"structure_string": "Cu1 H4 O2 F2\n1.0\n0.796663 0.000000 -3.236417\n-3.580249 -3.680937 1.458190\n-3.580249 3.680937 1.458190\nCu H O F\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.007849 0.770248 0.445764 H\n0.007849 0.445764 0.770248 H\n0.992153 0.229753 0.554236 H\n0.992153 0.554236 0.229753 H\n0.000000 0.739436 0.260565 O\n0.000000 0.260565 0.739436 O\n0.947261 0.237214 0.237214 F\n0.052741 0.762787 0.762787 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Cu",
"H",
"O",
"F"
],
"chemical_system": "Cu-F-H-O",
"density": 2.9764493254365174,
"density_atomic": 0.11726206569066046,
"volume": 76.7511637032062,
"volume_molar": 5.135625681272341,
"formula_full": "Cu1 H4 O2 F2",
"formula_reduced": "CuH4(OF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.7552020016666663,
"spacegroup": 12
},
{
"id": "jvasp-75577",
"created_at": "2022-09-04T14:36:16.985332Z",
"updated_at": "2022-09-04T14:36:16.985350Z",
"structure_string": "Hf1 Fe2 As1\n1.0\n0.000000 3.097474 3.097474\n3.097474 -0.000000 3.097474\n3.097474 3.097474 -0.000000\nHf Fe As\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Hf\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Fe\n0.499999 0.499999 0.499999 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Fe",
"As"
],
"chemical_system": "As-Fe-Hf",
"density": 10.200226818605321,
"density_atomic": 0.06729874830107144,
"volume": 59.43646948833843,
"volume_molar": 8.948369638405481,
"formula_full": "Hf1 Fe2 As1",
"formula_reduced": "HfFe2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6561214375,
"spacegroup": 216
},
{
"id": "jvasp-70586",
"created_at": "2022-09-04T14:36:16.985073Z",
"updated_at": "2022-09-04T14:36:16.985105Z",
"structure_string": "Be2 Rh1 W1\n1.0\n-1.766850 1.766850 3.834587\n1.766850 -1.766850 3.834587\n1.766850 1.766850 -3.834587\nBe Rh W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Rh\n0.750000 0.250000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Rh",
"W"
],
"chemical_system": "Be-Rh-W",
"density": 10.569225651195442,
"density_atomic": 0.08353760937163719,
"volume": 47.88262472541003,
"volume_molar": 7.208897651366889,
"formula_full": "Be2 Rh1 W1",
"formula_reduced": "Be2RhW",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6059838,
"spacegroup": 119
},
{
"id": "jvasp-70172",
"created_at": "2022-09-04T14:36:16.983426Z",
"updated_at": "2022-09-04T14:36:16.983448Z",
"structure_string": "Be1 Tc1 Rh1\n1.0\n1.347947 -2.334714 -0.000000\n1.347947 2.334714 0.000000\n-0.000000 0.000000 6.030215\nBe Tc Rh\n1 1 1\ndirect\n0.000000 0.000000 0.008390 Be\n0.333334 0.666668 0.678193 Tc\n0.666668 0.333334 0.313417 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Tc",
"Rh"
],
"chemical_system": "Be-Rh-Tc",
"density": 9.183935462176896,
"density_atomic": 0.07904091486170921,
"volume": 37.9550262702403,
"volume_molar": 7.619017024962831,
"formula_full": "Be1 Tc1 Rh1",
"formula_reduced": "BeTcRh",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0071835333333325,
"spacegroup": 156
},
{
"id": "jvasp-68804",
"created_at": "2022-09-04T14:36:16.975096Z",
"updated_at": "2022-09-04T14:36:16.975121Z",
"structure_string": "La1 Be1 Se2\n1.0\n-2.049455 2.049455 5.440895\n2.049455 -2.049455 5.440895\n2.049455 2.049455 -5.440895\nLa Be Se\n1 1 2\ndirect\n0.749999 0.250000 0.499999 La\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Se\n0.250000 0.749999 0.499999 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Be",
"Se"
],
"chemical_system": "Be-La-Se",
"density": 5.555625188273053,
"density_atomic": 0.04375753827085197,
"volume": 91.41282069481737,
"volume_molar": 13.76252183732078,
"formula_full": "La1 Be1 Se2",
"formula_reduced": "LaBeSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4406844583333336,
"spacegroup": 119
},
{
"id": "jvasp-66661",
"created_at": "2022-09-04T14:36:16.971295Z",
"updated_at": "2022-09-04T14:36:16.971324Z",
"structure_string": "Ba1 Bi1 Te1\n1.0\n-0.000000 4.039480 4.039480\n4.039480 0.000000 4.039480\n4.039480 4.039480 -0.000000\nBa Bi Te\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Te"
],
"chemical_system": "Ba-Bi-Te",
"density": 5.96947592930661,
"density_atomic": 0.022756992814718296,
"volume": 131.82761116221482,
"volume_molar": 26.462814349113497,
"formula_full": "Ba1 Bi1 Te1",
"formula_reduced": "BaBiTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3102726788888889,
"spacegroup": 216
},
{
"id": "jvasp-94238",
"created_at": "2022-09-04T14:36:16.966443Z",
"updated_at": "2022-09-04T14:36:16.966465Z",
"structure_string": "Mg6 Fe1 W1\n1.0\n6.168439 -0.180893 0.000000\n-3.240877 5.251578 0.000000\n0.000000 0.000000 4.657800\nMg Fe W\n6 1 1\ndirect\n0.179940 0.843324 0.250000 Mg\n0.656676 0.320060 0.250000 Mg\n0.673156 0.826845 0.250000 Mg\n0.319755 0.665482 0.750000 Mg\n0.834518 0.180246 0.750000 Mg\n0.829852 0.670149 0.750000 Mg\n0.198447 0.301553 0.250000 Fe\n0.307658 0.192342 0.750000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"W"
],
"chemical_system": "Fe-Mg-W",
"density": 4.320918678600171,
"density_atomic": 0.0539977547001508,
"volume": 148.1543083490036,
"volume_molar": 11.152576238476788,
"formula_full": "Mg6 Fe1 W1",
"formula_reduced": "Mg6FeW",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.942251225,
"spacegroup": 38
},
{
"id": "jvasp-71026",
"created_at": "2022-09-04T14:36:16.963694Z",
"updated_at": "2022-09-04T14:36:16.963732Z",
"structure_string": "Ca1 Mg1 Be2\n1.0\n4.653712 0.000000 0.000000\n0.000000 4.653712 0.000000\n-0.000000 -0.000000 3.398764\nCa Mg Be\n1 1 2\ndirect\n0.000000 0.000000 0.499999 Ca\n0.500000 0.500000 0.499999 Mg\n0.000000 0.500000 0.000000 Be\n0.500000 0.000000 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Be"
],
"chemical_system": "Be-Ca-Mg",
"density": 1.8590672675301865,
"density_atomic": 0.05434254526692206,
"volume": 73.60715219268121,
"volume_molar": 11.081815786176723,
"formula_full": "Ca1 Mg1 Be2",
"formula_reduced": "CaMgBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.717581865625,
"spacegroup": 123
},
{
"id": "jvasp-19874",
"created_at": "2022-09-04T14:36:16.960565Z",
"updated_at": "2022-09-04T14:36:16.960592Z",
"structure_string": "V1 Pd3\n1.0\n3.533789 -0.000000 -1.570715\n-0.698158 3.464136 -1.570715\n0.004225 0.005161 4.770015\nV Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 V\n0.250001 0.750001 0.500002 Pd\n0.750001 0.250000 0.500002 Pd\n0.500000 0.500001 0.000001 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"Pd"
],
"chemical_system": "Pd-V",
"density": 10.517343380666198,
"density_atomic": 0.06843507903832263,
"volume": 58.44955622481358,
"volume_molar": 8.799786373634038,
"formula_full": "V1 Pd3",
"formula_reduced": "VPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.273672825,
"spacegroup": 139
},
{
"id": "jvasp-65465",
"created_at": "2022-09-04T14:36:16.960149Z",
"updated_at": "2022-09-04T14:36:16.960179Z",
"structure_string": "Ba1 Ti1 Os2\n1.0\n3.357554 0.000000 0.000000\n0.000000 3.357554 0.000000\n-0.000000 0.000000 7.973182\nBa Ti Os\n1 1 2\ndirect\n0.499999 0.499999 0.769624 Ba\n0.000000 0.000000 0.393991 Ti\n0.000000 0.000000 0.092738 Os\n0.499999 0.499999 0.243647 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Os"
],
"chemical_system": "Ba-Os-Ti",
"density": 10.450143880263193,
"density_atomic": 0.04450228403295694,
"volume": 89.88302706076233,
"volume_molar": 13.532206022369996,
"formula_full": "Ba1 Ti1 Os2",
"formula_reduced": "BaTiOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.992508575833334,
"spacegroup": 99
},
{
"id": "jvasp-66510",
"created_at": "2022-09-04T14:36:16.956776Z",
"updated_at": "2022-09-04T14:36:16.956797Z",
"structure_string": "Ba4 Sn1 Ir1\n1.0\n-0.000000 4.779219 4.779219\n4.779219 0.000000 4.779219\n4.779219 4.779219 -0.000000\nBa Sn Ir\n4 1 1\ndirect\n0.126632 0.624456 0.624456 Ba\n0.624456 0.624456 0.624456 Ba\n0.624456 0.126632 0.624456 Ba\n0.624456 0.624456 0.126632 Ba\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"Ir"
],
"chemical_system": "Ba-Ir-Sn",
"density": 6.542826663547006,
"density_atomic": 0.0274821344049784,
"volume": 218.32365389032876,
"volume_molar": 21.912929582751357,
"formula_full": "Ba4 Sn1 Ir1",
"formula_reduced": "Ba4SnIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8519894466666664,
"spacegroup": 216
},
{
"id": "jvasp-89982",
"created_at": "2022-09-04T14:36:16.956752Z",
"updated_at": "2022-09-04T14:36:16.956775Z",
"structure_string": "Th3 Al3 Ir3\n1.0\n0.000000 0.000000 -4.155037\n-3.627799 -6.283534 0.000000\n-3.628056 6.283681 0.000000\nTh Al Ir\n3 3 3\ndirect\n0.500000 0.582166 0.000000 Th\n0.500000 0.417816 0.417823 Th\n0.500000 0.999992 0.582178 Th\n0.000000 0.229445 0.000000 Al\n0.000000 0.770517 0.770539 Al\n0.000000 0.999978 0.229462 Al\n0.000000 0.333336 0.666671 Ir\n0.000000 0.666666 0.333330 Ir\n0.500000 -0.000016 -0.000000 Ir\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Th",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Th",
"density": 11.865939484118348,
"density_atomic": 0.04750835242713198,
"volume": 189.44037290714607,
"volume_molar": 12.6759621252636,
"formula_full": "Th3 Al3 Ir3",
"formula_reduced": "ThAlIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.5255131666666677,
"spacegroup": 189
}
]
}