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=651",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=649",
"results": [
{
"id": "jvasp-16128",
"created_at": "2022-09-04T14:36:40.317448Z",
"updated_at": "2022-09-04T14:36:40.317470Z",
"structure_string": "Sm1 Ni2 B2 C1\n1.0\n3.463899 -0.000000 -1.153503\n-0.384125 3.442534 -1.153503\n-0.034045 -0.038056 5.675448\nSm Ni B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.249998 0.749998 0.500000 Ni\n0.749999 0.249999 0.500000 Ni\n0.352837 0.352837 0.705677 B\n0.647160 0.647160 0.294324 B\n0.499999 0.499999 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Sm",
"Ni",
"B",
"C"
],
"chemical_system": "B-C-Ni-Sm",
"density": 7.42805509700487,
"density_atomic": 0.08905607723682098,
"volume": 67.3732796925761,
"volume_molar": 6.762189562859048,
"formula_full": "Sm1 Ni2 B2 C1",
"formula_reduced": "SmNi2B2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.348526473611112,
"spacegroup": 139
},
{
"id": "jvasp-104967",
"created_at": "2022-09-04T14:36:53.597678Z",
"updated_at": "2022-09-04T14:36:53.597699Z",
"structure_string": "Ce1 U2 O6\n1.0\n3.857200 0.000000 0.000000\n-1.928600 3.340434 0.000000\n0.000000 0.000000 9.388021\nCe U O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666666 0.666130 U\n0.666666 0.333333 0.333870 U\n0.000000 0.000000 0.263566 O\n0.333333 0.666666 0.904196 O\n0.666666 0.333333 0.580744 O\n0.666666 0.333333 0.095804 O\n0.000000 0.000000 0.736434 O\n0.333333 0.666666 0.419256 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"U",
"O"
],
"chemical_system": "Ce-O-U",
"density": 9.776508920576518,
"density_atomic": 0.07440350650060629,
"volume": 120.96204094798493,
"volume_molar": 8.093893746729435,
"formula_full": "Ce1 U2 O6",
"formula_reduced": "CeU2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.348450944444445,
"spacegroup": 164
},
{
"id": "jvasp-99994",
"created_at": "2022-09-04T14:36:14.844214Z",
"updated_at": "2022-09-04T14:36:14.844251Z",
"structure_string": "Fe1 Co3\n1.0\n2.435294 0.000000 -0.000000\n0.000000 2.435294 0.000000\n-0.000000 0.000000 6.915026\nFe Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.499999 0.499999 0.752480 Co\n0.000000 0.000000 0.500000 Co\n0.499999 0.499999 0.247521 Co\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Co"
],
"chemical_system": "Co-Fe",
"density": 9.41988131543163,
"density_atomic": 0.09753564862664167,
"volume": 41.01064642848346,
"volume_molar": 6.174297136272966,
"formula_full": "Fe1 Co3",
"formula_reduced": "FeCo3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.34841205,
"spacegroup": 123
},
{
"id": "jvasp-90166",
"created_at": "2022-09-04T14:36:06.725688Z",
"updated_at": "2022-09-04T14:36:06.725718Z",
"structure_string": "Ca1 U2 P2 O4\n1.0\n5.627217 -0.000000 -0.000000\n-0.000000 5.627217 -0.000000\n-2.813608 -2.813608 7.408712\nCa U P O\n1 2 2 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.727470 0.727470 0.454938 U\n0.272530 0.272530 0.545062 U\n0.250000 0.750000 0.500000 P\n0.750000 0.250000 0.500000 P\n0.603299 0.603299 0.206597 O\n0.396701 0.396701 0.793402 O\n0.856431 0.856431 0.712861 O\n0.143569 0.143569 0.287139 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ca",
"U",
"P",
"O"
],
"chemical_system": "Ca-O-P-U",
"density": 4.5447378751111005,
"density_atomic": 0.03836299195575014,
"volume": 234.60109707764886,
"volume_molar": 15.697786989466955,
"formula_full": "Ca1 U2 P2 O4",
"formula_reduced": "CaU2(PO2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 3.34838638,
"spacegroup": 139
},
{
"id": "jvasp-8012",
"created_at": "2022-09-04T14:36:50.655421Z",
"updated_at": "2022-09-04T14:36:50.655445Z",
"structure_string": "Sr1 C2\n1.0\n3.622059 -0.000000 -1.898672\n-0.995277 3.482633 -1.898672\n0.030332 0.040214 4.462064\nSr C\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.407550 0.407549 0.815100 C\n0.592449 0.592449 0.184898 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sr",
"C"
],
"chemical_system": "C-Sr",
"density": 3.261582820865396,
"density_atomic": 0.052780718052004995,
"volume": 56.83893873978924,
"volume_molar": 11.409736324667595,
"formula_full": "Sr1 C2",
"formula_reduced": "SrC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.348262103333332,
"spacegroup": 139
},
{
"id": "jvasp-70488",
"created_at": "2022-09-04T14:35:52.297091Z",
"updated_at": "2022-09-04T14:35:52.297113Z",
"structure_string": "Be2 Pd1 W1\n1.0\n-1.753870 1.753870 3.982799\n1.753870 -1.753870 3.982799\n1.753870 1.753870 -3.982799\nBe Pd 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 Pd\n0.750000 0.250000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Pd",
"W"
],
"chemical_system": "Be-Pd-W",
"density": 10.446177854672689,
"density_atomic": 0.0816238003774639,
"volume": 49.00531439974937,
"volume_molar": 7.377922532583641,
"formula_full": "Be2 Pd1 W1",
"formula_reduced": "Be2PdW",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3480144749999994,
"spacegroup": 119
},
{
"id": "jvasp-87896",
"created_at": "2022-09-04T14:35:57.173681Z",
"updated_at": "2022-09-04T14:35:57.173709Z",
"structure_string": "Ba6 Na2 Si46\n1.0\n10.385318 0.000000 -0.000000\n-0.000000 10.385318 -0.000000\n-0.000000 -0.000000 10.385318\nBa Na Si\n6 2 46\ndirect\n0.750000 0.500000 0.000000 Ba\n0.500000 0.000000 0.750000 Ba\n0.000000 0.750000 0.500000 Ba\n0.000000 0.250000 0.500000 Ba\n0.250000 0.500000 0.000000 Ba\n0.500000 0.000000 0.250000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.195411 0.500000 0.379391 Si\n0.500000 0.620609 0.195411 Si\n0.620609 0.804589 0.500000 Si\n0.379391 0.804589 0.500000 Si\n0.195411 0.500000 0.620609 Si\n0.804589 0.500000 0.620609 Si\n0.120609 0.000000 0.304589 Si\n0.304589 0.120609 0.000000 Si\n0.695411 0.879391 0.000000 Si\n0.120609 0.000000 0.695411 Si\n0.695411 0.120609 0.000000 Si\n0.879391 0.000000 0.304589 Si\n0.879391 0.000000 0.695411 Si\n0.304589 0.879391 0.000000 Si\n0.000000 0.695411 0.879391 Si\n0.000000 0.304589 0.879391 Si\n0.804589 0.500000 0.379391 Si\n0.500000 0.620609 0.804589 Si\n0.500000 0.379391 0.195411 Si\n0.315901 0.684100 0.315901 Si\n0.500000 0.379391 0.804589 Si\n0.620609 0.195411 0.500000 Si\n0.000000 0.304589 0.120609 Si\n0.000000 0.695411 0.120609 Si\n0.250000 0.000000 0.500000 Si\n0.750000 0.000000 0.500000 Si\n0.000000 0.500000 0.250000 Si\n0.000000 0.500000 0.750000 Si\n0.500000 0.750000 0.000000 Si\n0.500000 0.250000 0.000000 Si\n0.184099 0.184099 0.184099 Si\n0.684100 0.315901 0.684100 Si\n0.684100 0.684100 0.315901 Si\n0.684100 0.684100 0.684100 Si\n0.315901 0.684100 0.684100 Si\n0.184099 0.815901 0.815901 Si\n0.815901 0.184099 0.815901 Si\n0.315901 0.315901 0.315901 Si\n0.815901 0.815901 0.815901 Si\n0.815901 0.184099 0.184099 Si\n0.315901 0.315901 0.684100 Si\n0.684100 0.315901 0.315901 Si\n0.379391 0.195411 0.500000 Si\n0.184099 0.815901 0.184099 Si\n0.815901 0.815901 0.184099 Si\n0.184099 0.184099 0.815901 Si\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Si"
],
"chemical_system": "Ba-Na-Si",
"density": 3.2049420880967676,
"density_atomic": 0.04820969257963573,
"volume": 1120.1067069822004,
"volume_molar": 12.491556029012752,
"formula_full": "Ba6 Na2 Si46",
"formula_reduced": "Ba3NaSi23",
"formula_anonymous": "AB3C23",
"energy_above_hull": 3.3479935077777774,
"spacegroup": 223
},
{
"id": "jvasp-67741",
"created_at": "2022-09-04T14:35:54.494788Z",
"updated_at": "2022-09-04T14:35:54.494805Z",
"structure_string": "Zr1 Be1 Cr1\n1.0\n-1.359789 1.359789 5.738351\n1.359789 -1.359789 5.738351\n1.359789 1.359789 -5.738351\nZr Be Cr\n1 1 1\ndirect\n0.657011 0.657011 0.000000 Zr\n0.983966 0.983966 0.000000 Be\n0.359022 0.359022 0.000000 Cr\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Be",
"Cr"
],
"chemical_system": "Be-Cr-Zr",
"density": 5.956151105200172,
"density_atomic": 0.07068562571191139,
"volume": 42.44144364268481,
"volume_molar": 8.519611589128504,
"formula_full": "Zr1 Be1 Cr1",
"formula_reduced": "ZrBeCr",
"formula_anonymous": "ABC",
"energy_above_hull": 3.3475226666666678,
"spacegroup": 107
},
{
"id": "jvasp-34211",
"created_at": "2022-09-04T14:37:08.662177Z",
"updated_at": "2022-09-04T14:37:08.662194Z",
"structure_string": "Mn1 V2 O6\n1.0\n3.518687 -0.000025 -0.000001\n-1.759372 4.349535 -1.742621\n0.000000 -0.159059 6.635557\nMn V O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.812624 0.625241 0.351398 V\n0.187377 0.374758 0.648602 V\n0.652095 0.304196 0.108483 O\n0.347906 0.695803 0.891517 O\n0.970649 0.941294 0.281463 O\n0.029352 0.058706 0.718538 O\n0.691060 0.382121 0.563162 O\n0.308941 0.617879 0.436838 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-V",
"density": 4.173953056591066,
"density_atomic": 0.08948163983303899,
"volume": 100.57929220779616,
"volume_molar": 6.730029502405773,
"formula_full": "Mn1 V2 O6",
"formula_reduced": "MnV2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.347406293486591,
"spacegroup": 12
},
{
"id": "jvasp-107506",
"created_at": "2022-09-04T14:36:52.674940Z",
"updated_at": "2022-09-04T14:36:52.674970Z",
"structure_string": "Zr2 Ti4 Al2\n1.0\n5.908254 -0.010985 0.000000\n-2.958323 5.114285 0.000000\n-0.000000 -0.000000 4.786294\nZr Ti Al\n2 4 2\ndirect\n0.335365 0.166287 0.500000 Zr\n0.833712 0.664635 0.500000 Zr\n0.829238 0.170760 0.500000 Ti\n0.656825 0.835651 -0.000000 Ti\n0.164349 0.343175 -0.000000 Ti\n0.175366 0.824635 -0.000000 Ti\n0.334050 0.665951 0.500000 Al\n0.670888 0.329112 -0.000000 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Al"
],
"chemical_system": "Al-Ti-Zr",
"density": 4.918062211179088,
"density_atomic": 0.055375015027525926,
"volume": 144.46948675360798,
"volume_molar": 10.875194809439783,
"formula_full": "Zr2 Ti4 Al2",
"formula_reduced": "ZrTi2Al",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3473909916666678,
"spacegroup": 38
},
{
"id": "jvasp-46194",
"created_at": "2022-09-04T14:38:09.365602Z",
"updated_at": "2022-09-04T14:38:09.365616Z",
"structure_string": "Li1 Mn4 O8\n1.0\n-5.709949 0.000000 0.000000\n0.000000 3.027043 -5.002129\n-2.854975 -1.909887 -4.726257\nLi Mn O\n1 4 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.499999 0.500000 0.500001 Mn\n0.500000 -0.000000 0.000000 Mn\n-0.000001 0.500000 0.500001 Mn\n0.000000 0.000000 0.000000 Mn\n0.731787 0.762372 0.030265 O\n0.762048 0.731496 0.475902 O\n0.733877 0.266427 0.532247 O\n0.237947 0.762372 0.030265 O\n0.762052 0.237628 0.969737 O\n0.266121 0.733573 0.467755 O\n0.237950 0.268503 0.524100 O\n0.268211 0.237628 0.969737 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.323065889988293,
"density_atomic": 0.09541994216793714,
"volume": 136.23986458847634,
"volume_molar": 6.311197243654954,
"formula_full": "Li1 Mn4 O8",
"formula_reduced": "LiMn4O8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.346992074270557,
"spacegroup": 166
},
{
"id": "jvasp-65495",
"created_at": "2022-09-04T14:36:03.917141Z",
"updated_at": "2022-09-04T14:36:03.917167Z",
"structure_string": "Ba1 Ta2 Tl1\n1.0\n3.821008 -0.000000 0.000000\n0.000000 3.832217 0.000000\n0.000000 0.000000 7.479973\nBa Ta Tl\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.339265 Ta\n0.000000 0.000000 0.660735 Ta\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Tl"
],
"chemical_system": "Ba-Ta-Tl",
"density": 10.667203946367772,
"density_atomic": 0.03652009688651856,
"volume": 109.52873461506628,
"volume_molar": 16.48993642791534,
"formula_full": "Ba1 Ta2 Tl1",
"formula_reduced": "BaTa2Tl",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3468267425,
"spacegroup": 123
}
]
}