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=-energy_above_hull&page=1541",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1539",
"results": [
{
"id": "jvasp-7875",
"created_at": "2022-09-04T14:37:06.360827Z",
"updated_at": "2022-09-04T14:37:06.360848Z",
"structure_string": "Nd1 Cr1 O3\n1.0\n3.859297 0.000000 0.000000\n-0.000000 3.859297 -0.000000\n-0.000000 0.000000 3.859297\nNd Cr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Cr",
"O"
],
"chemical_system": "Cr-Nd-O",
"density": 7.055612223679082,
"density_atomic": 0.08698520648580012,
"volume": 57.4810384661928,
"volume_molar": 6.923178093487751,
"formula_full": "Nd1 Cr1 O3",
"formula_reduced": "NdCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.34083588,
"spacegroup": 221
},
{
"id": "jvasp-9454",
"created_at": "2022-09-04T14:38:14.235775Z",
"updated_at": "2022-09-04T14:38:14.235803Z",
"structure_string": "Ba2 Ti3 Tl2 O10\n1.0\n3.971343 0.002938 -0.075525\n0.000412 3.978025 0.002816\n-0.393498 -0.250935 16.329087\nBa Ti Tl O\n2 3 2 10\ndirect\n0.820672 0.773015 0.258569 Ba\n0.283489 0.297584 0.738628 Ba\n0.827631 0.805725 0.859513 Ti\n0.303821 0.243992 0.134395 Ti\n0.746453 0.320806 0.995285 Ti\n0.171831 0.278857 0.435945 Tl\n0.771826 0.787983 0.585997 Tl\n0.305143 0.794024 0.139638 O\n0.339073 0.296204 0.248887 O\n0.804989 0.294476 0.114918 O\n0.298566 0.307253 0.007944 O\n0.761018 0.796552 0.726817 O\n0.276087 0.803831 0.846824 O\n0.510516 0.780140 0.471316 O\n0.783716 0.304950 0.868605 O\n0.052264 0.287503 0.584798 O\n0.792423 0.808384 0.974974 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"Tl",
"O"
],
"chemical_system": "Ba-O-Ti-Tl",
"density": 6.356245746485121,
"density_atomic": 0.06592899973041133,
"volume": 257.85314610435904,
"volume_molar": 9.1342820073488,
"formula_full": "Ba2 Ti3 Tl2 O10",
"formula_reduced": "Ba2Ti3Tl2O10",
"formula_anonymous": "A2B2C3D10",
"energy_above_hull": 2.3407939494117653,
"spacegroup": 1
},
{
"id": "jvasp-17933",
"created_at": "2022-09-04T14:38:16.016621Z",
"updated_at": "2022-09-04T14:38:16.016643Z",
"structure_string": "Er3 Tl1 C1\n1.0\n5.523932 -0.000000 -0.000000\n-0.000000 5.523932 -0.000000\n-0.000000 0.000000 5.523932\nEr Tl C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n0.500000 0.000000 0.500000 Er\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Er",
"Tl",
"C"
],
"chemical_system": "C-Er-Tl",
"density": 7.0750903528400935,
"density_atomic": 0.029663680383394238,
"volume": 168.55629292712464,
"volume_molar": 20.30139443981874,
"formula_full": "Er3 Tl1 C1",
"formula_reduced": "Er3TlC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.34075452,
"spacegroup": 221
},
{
"id": "jvasp-105892",
"created_at": "2022-09-04T14:36:09.939972Z",
"updated_at": "2022-09-04T14:36:09.939993Z",
"structure_string": "Ba2 Nd1 Ta1 O6\n1.0\n5.271790 -0.000072 3.052174\n1.748275 4.973459 3.052174\n-0.004219 -0.002989 6.154092\nBa Nd Ta O\n2 1 1 6\ndirect\n0.751325 0.751326 0.744291 Ba\n0.248674 0.248674 0.255708 Ba\n0.000000 0.000000 0.000000 Nd\n0.499999 0.500000 0.499999 Ta\n0.699532 0.234201 0.304545 O\n0.300466 0.765799 0.695454 O\n0.765798 0.300467 0.695454 O\n0.234200 0.699533 0.304545 O\n0.729685 0.729686 0.208654 O\n0.270314 0.270314 0.791345 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Ta",
"O"
],
"chemical_system": "Ba-Nd-O-Ta",
"density": 7.156771108360714,
"density_atomic": 0.061938183596591395,
"volume": 161.45129578114273,
"volume_molar": 9.722824290784356,
"formula_full": "Ba2 Nd1 Ta1 O6",
"formula_reduced": "Ba2NdTaO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.340745364,
"spacegroup": 12
},
{
"id": "jvasp-67566",
"created_at": "2022-09-04T14:35:53.936679Z",
"updated_at": "2022-09-04T14:35:53.936710Z",
"structure_string": "La1 Be1 P2\n1.0\n3.816373 0.000000 -0.000000\n0.000000 3.816373 -0.000000\n-0.000000 -0.000000 6.114851\nLa Be P\n1 1 2\ndirect\n0.500000 0.500000 0.827433 La\n0.000000 0.000000 0.329597 Be\n0.000000 0.000000 -0.010641 P\n0.500000 0.500000 0.353611 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Be",
"P"
],
"chemical_system": "Be-La-P",
"density": 3.912929011061256,
"density_atomic": 0.04491304321330903,
"volume": 89.06098794068545,
"volume_molar": 13.408445140086759,
"formula_full": "La1 Be1 P2",
"formula_reduced": "LaBeP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.340718025,
"spacegroup": 99
},
{
"id": "jvasp-94939",
"created_at": "2022-09-04T14:36:06.936300Z",
"updated_at": "2022-09-04T14:36:06.936317Z",
"structure_string": "Co1 Rh2 Se4\n1.0\n-0.000000 3.705454 -0.000000\n-0.024291 -0.000000 6.408387\n5.306887 -1.852727 -3.021667\nCo Rh Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.736626 0.718607 0.473255 Rh\n0.263373 0.281393 0.526746 Rh\n0.627419 0.971271 0.254841 Se\n0.372579 0.028730 0.745160 Se\n0.884290 0.554607 0.768582 Se\n0.115708 0.445394 0.231418 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Co",
"Rh",
"Se"
],
"chemical_system": "Co-Rh-Se",
"density": 7.6669501918893,
"density_atomic": 0.05566809701045267,
"volume": 125.74527199457934,
"volume_molar": 10.817938969369184,
"formula_full": "Co1 Rh2 Se4",
"formula_reduced": "Co(RhSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.340658623809524,
"spacegroup": 12
},
{
"id": "jvasp-13026",
"created_at": "2022-09-04T14:36:47.060945Z",
"updated_at": "2022-09-04T14:36:47.060977Z",
"structure_string": "Rb4 I2 N6\n1.0\n6.250327 0.000000 0.000000\n0.000000 6.250327 0.000000\n0.000000 0.000000 7.972297\nRb I N\n4 2 6\ndirect\n0.000000 0.000000 0.261962 Rb\n0.000000 0.000000 0.738039 Rb\n0.500000 0.500000 0.738039 Rb\n0.500000 0.500000 0.261962 Rb\n0.500000 0.000000 0.000000 I\n0.000000 0.500000 0.000000 I\n0.865695 0.365695 0.500000 N\n0.634306 0.865695 0.500000 N\n0.365695 0.134306 0.500000 N\n0.134306 0.634306 0.500000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"I",
"N"
],
"chemical_system": "I-N-Rb",
"density": 3.624018581923045,
"density_atomic": 0.038529404651456864,
"volume": 311.4504391789573,
"volume_molar": 15.629986537495832,
"formula_full": "Rb4 I2 N6",
"formula_reduced": "Rb2IN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.3406393375,
"spacegroup": 127
},
{
"id": "jvasp-66782",
"created_at": "2022-09-04T14:35:41.724948Z",
"updated_at": "2022-09-04T14:35:41.724973Z",
"structure_string": "Li1 Be2 Cr1\n1.0\n2.431101 -0.000000 -0.000000\n0.000000 2.431101 -0.000000\n-0.000000 0.000000 6.852810\nLi Be Cr\n1 2 1\ndirect\n0.500000 0.500000 0.773173 Li\n0.000000 0.000000 0.039063 Be\n0.500000 0.500000 0.224557 Be\n0.000000 0.000000 0.463206 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Cr"
],
"chemical_system": "Be-Cr-Li",
"density": 3.1553513356433225,
"density_atomic": 0.09876095858605169,
"volume": 40.50183450289973,
"volume_molar": 6.097693710367171,
"formula_full": "Li1 Be2 Cr1",
"formula_reduced": "LiBe2Cr",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3405774,
"spacegroup": 99
},
{
"id": "jvasp-15112",
"created_at": "2022-09-04T14:37:03.494763Z",
"updated_at": "2022-09-04T14:37:03.494777Z",
"structure_string": "Sr1 Mn2 Sb2\n1.0\n2.221383 -3.847547 -0.000000\n2.221383 3.847547 0.000000\n-0.000000 -0.000000 7.906122\nSr Mn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333332 0.666666 0.611566 Mn\n0.666666 0.333332 0.388434 Mn\n0.333332 0.666666 0.269530 Sb\n0.666666 0.333332 0.730470 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb-Sr",
"density": 5.418794071734434,
"density_atomic": 0.03699722232437764,
"volume": 135.14528080410722,
"volume_molar": 16.277278081041192,
"formula_full": "Sr1 Mn2 Sb2",
"formula_reduced": "Sr(MnSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.3405525985517235,
"spacegroup": 164
},
{
"id": "jvasp-108929",
"created_at": "2022-09-04T14:38:27.732689Z",
"updated_at": "2022-09-04T14:38:27.732706Z",
"structure_string": "Na1 Co2 O4\n1.0\n2.863522 0.058741 0.000000\n-1.482362 2.450675 0.000000\n-0.000000 -0.000000 9.634391\nNa Co O\n1 2 4\ndirect\n0.333294 0.666708 -0.000000 Na\n0.000012 -0.000012 0.276094 Co\n0.000012 -0.000012 0.723906 Co\n0.666619 0.333382 0.167711 O\n0.333373 0.666629 0.366318 O\n0.333373 0.666629 0.633682 O\n0.666619 0.333382 0.832288 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 4.969662114768216,
"density_atomic": 0.10226614063716861,
"volume": 68.44885273255194,
"volume_molar": 5.888694657370549,
"formula_full": "Na1 Co2 O4",
"formula_reduced": "Na(CoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.340524971428572,
"spacegroup": 187
},
{
"id": "jvasp-108683",
"created_at": "2022-09-04T14:38:28.750369Z",
"updated_at": "2022-09-04T14:38:28.750389Z",
"structure_string": "Ba2 Nd1 Ta1 O6\n1.0\n5.306824 -0.000000 3.063896\n1.768941 5.003321 3.063896\n-0.000000 -0.000000 6.127792\nBa Nd Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.750001 Ba\n0.500000 0.500000 0.500001 Nd\n0.000000 0.000000 0.000000 Ta\n0.768521 0.231479 0.231480 O\n0.231478 0.768521 0.768522 O\n0.231478 0.768521 0.231480 O\n0.768521 0.231479 0.768522 O\n0.231479 0.231479 0.768521 O\n0.768521 0.768521 0.231480 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Ta",
"O"
],
"chemical_system": "Ba-Nd-O-Ta",
"density": 7.1016881188488785,
"density_atomic": 0.06146146857164843,
"volume": 162.7035642394803,
"volume_molar": 9.798237660038527,
"formula_full": "Ba2 Nd1 Ta1 O6",
"formula_reduced": "Ba2NdTaO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.340490364,
"spacegroup": 225
},
{
"id": "jvasp-107558",
"created_at": "2022-09-04T14:36:50.233159Z",
"updated_at": "2022-09-04T14:36:50.233179Z",
"structure_string": "H3 Pd4\n1.0\n2.870793 -0.000401 9.149651\n1.401375 2.505515 9.149651\n-0.000683 -0.000401 9.589451\nH Pd\n3 4\ndirect\n0.262566 0.262566 0.262567 H\n0.499999 0.499999 0.500001 H\n0.737433 0.737432 0.737435 H\n0.125167 0.125167 0.125167 Pd\n0.874832 0.874832 0.874834 Pd\n0.374264 0.374263 0.374265 Pd\n0.625735 0.625735 0.625737 Pd\n",
"nsites": 7,
"nelements": 2,
"elements": [
"H",
"Pd"
],
"chemical_system": "H-Pd",
"density": 10.316856155342034,
"density_atomic": 0.10144694300304803,
"volume": 69.0015863739697,
"volume_molar": 5.936246654390622,
"formula_full": "H3 Pd4",
"formula_reduced": "H3Pd4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.3403418285714284,
"spacegroup": 166
}
]
}