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=1028",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1026",
"results": [
{
"id": "jvasp-20809",
"created_at": "2022-09-04T14:38:34.887541Z",
"updated_at": "2022-09-04T14:38:34.887568Z",
"structure_string": "Cr4 Se6\n1.0\n5.619779 0.000610 3.973653\n2.057282 5.229675 3.973653\n0.000896 0.000611 6.882720\nCr Se\n4 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.499999 Cr\n0.324792 0.324792 0.324792 Cr\n0.675208 0.675208 0.675207 Cr\n0.593014 0.907485 0.257215 Se\n0.257216 0.593014 0.907483 Se\n0.907484 0.257216 0.593013 Se\n0.406987 0.092516 0.742784 Se\n0.742784 0.406986 0.092515 Se\n0.092516 0.742785 0.406985 Se\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Cr",
"Se"
],
"chemical_system": "Cr-Se",
"density": 5.5974952058585865,
"density_atomic": 0.04944507654885711,
"volume": 202.24460548906043,
"volume_molar": 12.179454822057908,
"formula_full": "Cr4 Se6",
"formula_reduced": "Cr2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.8271609800000004,
"spacegroup": 148
},
{
"id": "jvasp-8132",
"created_at": "2022-09-04T14:36:51.353320Z",
"updated_at": "2022-09-04T14:36:51.353342Z",
"structure_string": "Nb2 As4\n1.0\n3.334778 0.000000 0.827044\n1.525445 4.707822 0.985864\n0.001784 -0.000214 7.129512\nNb As\n2 4\ndirect\n0.157424 0.881330 0.803821 Nb\n0.842576 0.118671 0.196177 Nb\n0.859145 0.752591 0.529120 As\n0.140856 0.247409 0.470879 As\n0.593980 0.704426 0.107616 As\n0.406021 0.295575 0.892382 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nb",
"As"
],
"chemical_system": "As-Nb",
"density": 7.203044270946899,
"density_atomic": 0.053608018413639554,
"volume": 111.92355504924637,
"volume_molar": 11.233656714436174,
"formula_full": "Nb2 As4",
"formula_reduced": "NbAs2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8271476333333334,
"spacegroup": 12
},
{
"id": "jvasp-40390",
"created_at": "2022-09-04T14:37:45.771972Z",
"updated_at": "2022-09-04T14:37:45.772003Z",
"structure_string": "Tb2 Ir1 Ru1\n1.0\n-0.000000 3.417809 3.417809\n3.417809 -0.000000 3.417809\n3.417809 3.417809 -0.000000\nTb Ir Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500001 0.500001 0.500001 Tb\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Ir",
"Ru"
],
"chemical_system": "Ir-Ru-Tb",
"density": 12.709100384167922,
"density_atomic": 0.050094105778699966,
"volume": 79.84971361043442,
"volume_molar": 12.021655375193099,
"formula_full": "Tb2 Ir1 Ru1",
"formula_reduced": "Tb2IrRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8271146,
"spacegroup": 225
},
{
"id": "jvasp-15367",
"created_at": "2022-09-04T14:36:47.829843Z",
"updated_at": "2022-09-04T14:36:47.829864Z",
"structure_string": "Nb1 Ga1 Co2\n1.0\n3.649958 -0.000000 2.107305\n1.216653 3.441213 2.107305\n-0.000000 -0.000000 4.214609\nNb Ga Co\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Nb\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Co\n0.750000 0.749999 0.749999 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Nb",
"density": 8.79870387585362,
"density_atomic": 0.07556197124007859,
"volume": 52.936681433191254,
"volume_molar": 7.969803673948906,
"formula_full": "Nb1 Ga1 Co2",
"formula_reduced": "NbGaCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8270133812500005,
"spacegroup": 225
},
{
"id": "jvasp-57690",
"created_at": "2022-09-04T14:37:11.673229Z",
"updated_at": "2022-09-04T14:37:11.673249Z",
"structure_string": "Th6 Al4\n1.0\n8.124727 0.000000 -0.000000\n0.000000 8.124727 0.000000\n-0.000000 -0.000000 4.288751\nTh Al\n6 4\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.000000 Th\n0.677620 0.177620 0.500000 Th\n0.177620 0.322380 0.500000 Th\n0.822381 0.677620 0.500000 Th\n0.322380 0.822381 0.500000 Th\n0.883375 0.383375 0.000000 Al\n0.383375 0.116626 0.000000 Al\n0.616626 0.883375 0.000000 Al\n0.116626 0.616626 0.000000 Al\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Th",
"Al"
],
"chemical_system": "Al-Th",
"density": 8.799068611599035,
"density_atomic": 0.03532251461140495,
"volume": 283.1055520823876,
"volume_molar": 17.04901484577649,
"formula_full": "Th6 Al4",
"formula_reduced": "Th3Al2",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.8270024800000004,
"spacegroup": 127
},
{
"id": "jvasp-14582",
"created_at": "2022-09-04T14:35:53.978868Z",
"updated_at": "2022-09-04T14:35:53.978900Z",
"structure_string": "Th1 Rh3\n1.0\n4.140231 0.000000 -0.000000\n-0.000000 4.140231 -0.000000\n0.000000 0.000000 4.140231\nTh Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Rh"
],
"chemical_system": "Rh-Th",
"density": 12.65247737539494,
"density_atomic": 0.056361984071794095,
"volume": 70.96982240555595,
"volume_molar": 10.684756505961493,
"formula_full": "Th1 Rh3",
"formula_reduced": "ThRh3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.8268661499999994,
"spacegroup": 221
},
{
"id": "jvasp-117472",
"created_at": "2022-09-04T14:38:51.204742Z",
"updated_at": "2022-09-04T14:38:51.204773Z",
"structure_string": "B1 H1\n1.0\n1.803054 -0.000000 0.000000\n-0.000000 2.335681 -0.000000\n0.000000 -0.000000 2.335681\nB H\n1 1\ndirect\n0.275034 0.000000 0.000000 B\n0.274966 0.500001 0.500001 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 1.9952248072143726,
"density_atomic": 0.20332660358781965,
"volume": 9.836391129880708,
"volume_molar": 2.961806597727853,
"formula_full": "B1 H1",
"formula_reduced": "BH",
"formula_anonymous": "AB",
"energy_above_hull": 2.8268462916666666,
"spacegroup": 123
},
{
"id": "jvasp-91424",
"created_at": "2022-09-04T14:36:02.362516Z",
"updated_at": "2022-09-04T14:36:02.362541Z",
"structure_string": "Ca12 Nb16 O48 F8\n1.0\n10.562804 -0.000000 -0.000000\n0.000000 10.562804 -0.000000\n-0.000000 -0.000000 10.562804\nCa Nb O F\n12 16 48 8\ndirect\n0.875000 0.864650 0.614651 Ca\n0.385349 0.375000 0.635349 Ca\n0.135349 0.114651 0.625000 Ca\n0.114651 0.625000 0.135349 Ca\n0.625000 0.135349 0.114651 Ca\n0.364651 0.885349 0.125000 Ca\n0.614651 0.875000 0.864650 Ca\n0.375000 0.635349 0.385349 Ca\n0.864650 0.614651 0.875000 Ca\n0.635349 0.385349 0.375000 Ca\n0.885349 0.125000 0.364651 Ca\n0.125000 0.364651 0.885349 Ca\n0.125000 0.623592 0.626408 Nb\n0.125000 0.125000 0.125000 Nb\n0.625000 0.876407 0.373592 Nb\n0.376408 0.126408 0.375000 Nb\n0.623592 0.626408 0.125000 Nb\n0.625000 0.375000 0.875000 Nb\n0.123592 0.873592 0.875000 Nb\n0.876407 0.373592 0.625000 Nb\n0.375000 0.875000 0.625000 Nb\n0.375000 0.376408 0.126408 Nb\n0.626408 0.125000 0.623592 Nb\n0.875000 0.625000 0.375000 Nb\n0.373592 0.625000 0.876407 Nb\n0.873592 0.875000 0.123592 Nb\n0.875000 0.123592 0.873592 Nb\n0.126408 0.375000 0.376408 Nb\n0.489535 0.491667 0.811803 O\n0.258333 0.739535 0.561803 O\n0.561803 0.258333 0.739535 O\n0.188196 0.989535 0.008333 O\n0.244559 0.747753 0.948749 O\n0.744559 0.752246 0.051250 O\n0.752246 0.051250 0.744559 O\n0.239535 0.938196 0.741667 O\n0.997753 0.994559 0.801250 O\n0.198749 0.497753 0.505440 O\n0.448749 0.255440 0.252247 O\n0.551250 0.755440 0.247753 O\n0.755440 0.247753 0.551250 O\n0.010465 0.508333 0.311804 O\n0.948749 0.244559 0.747753 O\n0.260465 0.061804 0.241667 O\n0.747753 0.948749 0.244559 O\n0.510465 0.991667 0.688196 O\n0.508333 0.311804 0.010465 O\n0.811803 0.489535 0.491667 O\n0.008333 0.188196 0.989535 O\n0.698749 0.002247 0.494559 O\n0.760465 0.438196 0.758332 O\n0.438196 0.758332 0.760465 O\n0.688196 0.510465 0.991667 O\n0.247753 0.551250 0.755440 O\n0.002247 0.494559 0.698749 O\n0.311804 0.010465 0.508333 O\n0.491667 0.811803 0.489535 O\n0.252247 0.448749 0.255440 O\n0.061804 0.241667 0.260465 O\n0.989535 0.008333 0.188196 O\n0.051250 0.744559 0.752246 O\n0.505440 0.198749 0.497753 O\n0.991667 0.688196 0.510465 O\n0.741667 0.239535 0.938196 O\n0.494559 0.698749 0.002247 O\n0.739535 0.561803 0.258333 O\n0.502246 0.005440 0.301250 O\n0.938196 0.741667 0.239535 O\n0.005440 0.301250 0.502246 O\n0.301250 0.502246 0.005440 O\n0.758332 0.760465 0.438196 O\n0.255440 0.252247 0.448749 O\n0.801250 0.997753 0.994559 O\n0.497753 0.505440 0.198749 O\n0.994559 0.801250 0.997753 O\n0.241667 0.260465 0.061804 O\n0.239243 0.260756 0.739243 F\n0.510756 0.989243 0.010757 F\n0.010757 0.510756 0.989243 F\n0.489243 0.489243 0.489243 F\n0.260756 0.739243 0.239243 F\n0.739243 0.239243 0.260756 F\n0.989243 0.010757 0.510756 F\n0.760756 0.760756 0.760756 F\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Ca",
"Nb",
"O",
"F"
],
"chemical_system": "Ca-F-Nb-O",
"density": 4.06834580425725,
"density_atomic": 0.07127572152219276,
"volume": 1178.5219175065852,
"volume_molar": 8.44907723329734,
"formula_full": "Ca12 Nb16 O48 F8",
"formula_reduced": "Ca3Nb4(O6F)2",
"formula_anonymous": "A2B3C4D12",
"energy_above_hull": 2.826801496428572,
"spacegroup": 212
},
{
"id": "jvasp-47021",
"created_at": "2022-09-04T14:38:07.854899Z",
"updated_at": "2022-09-04T14:38:07.854929Z",
"structure_string": "Li2 V2 Si1 Ge1 O10\n1.0\n6.396969 0.041316 0.000000\n0.041316 6.396969 0.000000\n0.000000 0.000000 4.543102\nLi V Si Ge O\n2 2 1 1 10\ndirect\n0.011056 0.511056 0.000000 Li\n0.488945 0.988944 0.000000 Li\n0.250000 0.250000 0.612969 V\n0.750001 0.750001 0.387031 V\n0.250001 0.750000 0.500000 Si\n0.750000 0.250001 0.500000 Ge\n0.040262 0.745191 0.289734 O\n0.245191 0.540262 0.710266 O\n0.250000 0.250000 0.254796 O\n0.254810 0.959738 0.710266 O\n0.459739 0.754809 0.289734 O\n0.529637 0.241872 0.735856 O\n0.741871 0.029638 0.264143 O\n0.758129 0.470363 0.264143 O\n0.750001 0.750001 0.745203 O\n0.970363 0.258129 0.735856 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Li",
"V",
"Si",
"Ge",
"O"
],
"chemical_system": "Ge-Li-O-Si-V",
"density": 3.3628952155672978,
"density_atomic": 0.08606709006623288,
"volume": 185.9014867086503,
"volume_molar": 6.997030752829758,
"formula_full": "Li2 V2 Si1 Ge1 O10",
"formula_reduced": "Li2V2SiGeO10",
"formula_anonymous": "ABC2D2E10",
"energy_above_hull": 2.826796121875,
"spacegroup": 21
},
{
"id": "jvasp-109433",
"created_at": "2022-09-04T14:38:19.734296Z",
"updated_at": "2022-09-04T14:38:19.734324Z",
"structure_string": "Li1 Fe3 O4\n1.0\n2.998843 -0.004593 -0.015829\n0.014917 4.859203 1.524025\n0.028071 0.033787 5.092199\nLi Fe O\n1 3 4\ndirect\n0.510478 0.499419 0.000127 Li\n0.010566 0.999426 0.000123 Fe\n0.510592 0.999430 0.500116 Fe\n0.010564 0.499429 0.500121 Fe\n0.010545 0.753614 0.745921 O\n0.510563 0.743977 0.244669 O\n0.510573 0.254879 0.755577 O\n0.010622 0.245230 0.254331 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 5.347569810439801,
"density_atomic": 0.10803315128726684,
"volume": 74.05134354294178,
"volume_molar": 5.574345178533907,
"formula_full": "Li1 Fe3 O4",
"formula_reduced": "LiFe3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.8267225625,
"spacegroup": 65
},
{
"id": "jvasp-108833",
"created_at": "2022-09-04T14:37:59.445118Z",
"updated_at": "2022-09-04T14:37:59.445134Z",
"structure_string": "Li1 Fe3 O4\n1.0\n5.093264 0.006986 0.000000\n-1.561594 4.847970 0.000000\n-0.000000 -0.000000 2.997893\nLi Fe O\n1 3 4\ndirect\n0.500000 0.500000 -0.000000 Li\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.245773 0.245773 0.500000 O\n0.255451 0.744550 -0.000000 O\n0.744549 0.255451 -0.000000 O\n0.754227 0.754227 0.500000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 5.347186484038989,
"density_atomic": 0.1080254072164984,
"volume": 74.05665209821291,
"volume_molar": 5.574744789372343,
"formula_full": "Li1 Fe3 O4",
"formula_reduced": "LiFe3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.8267163125,
"spacegroup": 65
},
{
"id": "jvasp-10731",
"created_at": "2022-09-04T14:38:16.213134Z",
"updated_at": "2022-09-04T14:38:16.213168Z",
"structure_string": "Zn1 Co4 O8\n1.0\n4.793194 -0.173860 3.352629\n1.653041 4.502487 3.352629\n-0.258913 -0.173860 5.843612\nZn Co O\n1 4 8\ndirect\n0.500000 0.500001 0.499999 Zn\n0.500000 1.000000 0.500001 Co\n0.999998 0.500000 0.500001 Co\n0.499999 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.762187 0.271424 0.762187 O\n0.237812 0.237813 0.728575 O\n0.237811 0.728577 0.237812 O\n0.728574 0.237813 0.237813 O\n0.269629 0.269631 0.269629 O\n0.730370 0.730371 0.730371 O\n0.271425 0.762189 0.762187 O\n0.762187 0.762189 0.271424 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zn",
"Co",
"O"
],
"chemical_system": "Co-O-Zn",
"density": 5.330560668850987,
"density_atomic": 0.09724587868242938,
"volume": 133.68175778896912,
"volume_molar": 6.192695095764604,
"formula_full": "Zn1 Co4 O8",
"formula_reduced": "Zn(CoO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.8266501538461544,
"spacegroup": 166
}
]
}