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=volume_molar&page=1281",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=1279",
"results": [
{
"id": "jvasp-120203",
"created_at": "2022-09-04T14:38:53.778081Z",
"updated_at": "2022-09-04T14:38:53.778117Z",
"structure_string": "Ge1 O3\n1.0\n3.195559 0.112401 -0.332194\n-1.682748 -4.221947 0.017373\n0.848402 -1.213621 -4.131256\nGe O\n1 3\ndirect\n0.014996 0.001673 0.013616 Ge\n0.991350 0.432319 0.463026 O\n0.801672 0.362158 0.826492 O\n-0.097040 0.091019 0.428537 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ge",
"O"
],
"chemical_system": "Ge-O",
"density": 3.7686071657982048,
"density_atomic": 0.07525007113642074,
"volume": 53.1560959291109,
"volume_molar": 8.00283729842922,
"formula_full": "Ge1 O3",
"formula_reduced": "GeO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.9412391125,
"spacegroup": 1
},
{
"id": "jvasp-69515",
"created_at": "2022-09-04T14:36:00.788843Z",
"updated_at": "2022-09-04T14:36:00.788869Z",
"structure_string": "Sc1 Be2 Si1\n1.0\n-1.899694 1.899694 3.682399\n1.899694 -1.899694 3.682399\n1.899694 1.899694 -3.682399\nSc Be Si\n1 2 1\ndirect\n0.250000 0.749999 0.499999 Sc\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.499999 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Be",
"Si"
],
"chemical_system": "Be-Sc-Si",
"density": 2.8447634064657636,
"density_atomic": 0.07524919424638396,
"volume": 53.156715364991655,
"volume_molar": 8.002930556680862,
"formula_full": "Sc1 Be2 Si1",
"formula_reduced": "ScBe2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3607665125,
"spacegroup": 139
},
{
"id": "jvasp-16059",
"created_at": "2022-09-04T14:36:33.713141Z",
"updated_at": "2022-09-04T14:36:33.713171Z",
"structure_string": "Ho2 Cr2 C3\n1.0\n3.367263 0.000000 -0.000000\n-1.683632 4.986603 -1.443447\n-0.000000 0.027120 5.532218\nHo Cr C\n2 2 3\ndirect\n0.605813 0.211626 0.816602 Ho\n0.394187 0.788373 0.183398 Ho\n0.843479 0.686959 0.611740 Cr\n0.156520 0.313041 0.388260 Cr\n0.285487 0.570973 0.731217 C\n0.714512 0.429026 0.268783 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ho",
"Cr",
"C"
],
"chemical_system": "C-Cr-Ho",
"density": 8.387715145185027,
"density_atomic": 0.07524906180985658,
"volume": 93.02441560916706,
"volume_molar": 8.002944641644932,
"formula_full": "Ho2 Cr2 C3",
"formula_reduced": "Ho2Cr2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 4.908517990476191,
"spacegroup": 12
},
{
"id": "jvasp-114393",
"created_at": "2022-09-04T14:38:41.159881Z",
"updated_at": "2022-09-04T14:38:41.159897Z",
"structure_string": "Zn1 Sn1 O4\n1.0\n-2.013180 2.013180 4.918479\n2.013180 -2.013180 4.918479\n2.013180 2.013180 -4.918479\nZn Sn O\n1 1 4\ndirect\n0.750000 0.250000 0.500000 Zn\n0.000000 0.000000 0.000000 Sn\n0.545025 0.045025 0.500000 O\n0.213055 0.213055 0.000000 O\n0.954975 0.454975 0.500000 O\n0.786944 0.786944 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"O"
],
"chemical_system": "O-Sn-Zn",
"density": 5.16712409145883,
"density_atomic": 0.07524804534780569,
"volume": 79.73629045468576,
"volume_molar": 8.003052746639367,
"formula_full": "Zn1 Sn1 O4",
"formula_reduced": "ZnSnO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4012126833333336,
"spacegroup": 119
},
{
"id": "jvasp-57822",
"created_at": "2022-09-04T14:37:15.011082Z",
"updated_at": "2022-09-04T14:37:15.011098Z",
"structure_string": "Y4 Zr4 O14\n1.0\n6.451768 0.000000 3.724930\n2.150589 6.082786 3.724930\n0.000000 0.000000 7.449860\nY Zr O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Y\n-0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.500000 Y\n0.500000 0.500000 -0.000000 Y\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n-0.000000 0.500000 -0.000000 Zr\n0.500000 0.000000 -0.000000 Zr\n0.909485 0.340516 0.909484 O\n0.625000 0.625000 0.625000 O\n0.090515 0.659485 0.090515 O\n0.659485 0.659485 0.090515 O\n0.340515 0.909485 0.909484 O\n0.659485 0.090516 0.090515 O\n0.340516 0.340516 0.909484 O\n0.659485 0.090516 0.659484 O\n0.340515 0.909485 0.340515 O\n0.090515 0.090516 0.659484 O\n0.909485 0.340516 0.340515 O\n0.090515 0.659485 0.659484 O\n0.909485 0.909485 0.340515 O\n0.375000 0.375000 0.375000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Y",
"Zr",
"O"
],
"chemical_system": "O-Y-Zr",
"density": 5.364468832175344,
"density_atomic": 0.07524771032475545,
"volume": 292.3677000277084,
"volume_molar": 8.003088378383254,
"formula_full": "Y4 Zr4 O14",
"formula_reduced": "Y2Zr2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.1040367636363637,
"spacegroup": 227
},
{
"id": "jvasp-67758",
"created_at": "2022-09-04T14:36:12.566142Z",
"updated_at": "2022-09-04T14:36:12.566163Z",
"structure_string": "Be1 P1 W2\n1.0\n3.135321 0.000000 -0.000000\n0.000000 3.135321 0.000000\n0.000000 -0.000000 5.407699\nBe P W\n1 1 2\ndirect\n0.000000 0.000000 0.495978 Be\n0.500000 0.500000 0.739846 P\n0.000000 0.000000 0.983953 W\n0.500000 0.500000 0.280225 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"P",
"W"
],
"chemical_system": "Be-P-W",
"density": 12.73435630252687,
"density_atomic": 0.07524600697900015,
"volume": 53.15896697503604,
"volume_molar": 8.00326954449646,
"formula_full": "Be1 P1 W2",
"formula_reduced": "BePW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.136930400000001,
"spacegroup": 99
},
{
"id": "jvasp-91942",
"created_at": "2022-09-04T14:38:17.749128Z",
"updated_at": "2022-09-04T14:38:17.749173Z",
"structure_string": "Ti4 Al2 N2\n1.0\n-1.500368 -2.598732 0.000000\n-1.500368 2.598732 -0.000000\n0.000000 0.000000 -13.634109\nTi Al N\n4 2 2\ndirect\n0.666664 0.333338 0.585501 Ti\n0.333338 0.666664 0.414499 Ti\n0.333338 0.666664 0.085501 Ti\n0.666664 0.333338 0.914499 Ti\n0.666681 0.333320 0.250000 Al\n0.333320 0.666681 0.750000 Al\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Al",
"N"
],
"chemical_system": "Al-N-Ti",
"density": 4.270730919473255,
"density_atomic": 0.07524435824748144,
"volume": 106.32026355634144,
"volume_molar": 8.00344490970733,
"formula_full": "Ti4 Al2 N2",
"formula_reduced": "Ti2AlN",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3053431791666665,
"spacegroup": 194
},
{
"id": "jvasp-14397",
"created_at": "2022-09-04T14:38:10.568870Z",
"updated_at": "2022-09-04T14:38:10.568886Z",
"structure_string": "Ti4 Al2 N2\n1.0\n1.500381 -2.598735 0.000000\n1.500381 2.598735 0.000000\n0.000000 0.000000 13.634213\nTi Al N\n4 2 2\ndirect\n0.666667 0.333332 0.914504 Ti\n0.333332 0.666667 0.414504 Ti\n0.333332 0.666667 0.085495 Ti\n0.666667 0.333332 0.585495 Ti\n0.666667 0.333332 0.250000 Al\n0.333332 0.666667 0.750000 Al\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Al",
"N"
],
"chemical_system": "Al-N-Ti",
"density": 4.270656409489383,
"density_atomic": 0.07524304548485948,
"volume": 106.32211852203368,
"volume_molar": 8.003584545513625,
"formula_full": "Ti4 Al2 N2",
"formula_reduced": "Ti2AlN",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.305345679166667,
"spacegroup": 194
},
{
"id": "jvasp-15492",
"created_at": "2022-09-04T14:35:54.806805Z",
"updated_at": "2022-09-04T14:35:54.806824Z",
"structure_string": "Ti4 Al2 N2\n1.0\n1.500381 -2.598735 0.000000\n1.500381 2.598735 -0.000000\n0.000000 0.000000 13.634213\nTi Al N\n4 2 2\ndirect\n0.666667 0.333332 0.914504 Ti\n0.333332 0.666667 0.414504 Ti\n0.333332 0.666667 0.085495 Ti\n0.666667 0.333332 0.585495 Ti\n0.666667 0.333332 0.250000 Al\n0.333332 0.666667 0.750000 Al\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Al",
"N"
],
"chemical_system": "Al-N-Ti",
"density": 4.270656409489383,
"density_atomic": 0.07524304548485948,
"volume": 106.32211852203368,
"volume_molar": 8.003584545513625,
"formula_full": "Ti4 Al2 N2",
"formula_reduced": "Ti2AlN",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.305345679166667,
"spacegroup": 194
},
{
"id": "jvasp-103600",
"created_at": "2022-09-04T14:36:30.822079Z",
"updated_at": "2022-09-04T14:36:30.822110Z",
"structure_string": "Fe3 Au1\n1.0\n3.412123 -0.013662 -3.135529\n-0.667164 3.346291 -3.135529\n0.011253 0.013662 4.634005\nFe Au\n3 1\ndirect\n0.749999 0.250000 0.499999 Fe\n0.250000 0.750000 0.499999 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Au"
],
"chemical_system": "Au-Fe",
"density": 11.385386193265674,
"density_atomic": 0.07524181415691063,
"volume": 53.161929238685396,
"volume_molar": 8.003715523713078,
"formula_full": "Fe3 Au1",
"formula_reduced": "Fe3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 2.7154810175,
"spacegroup": 139
},
{
"id": "jvasp-69838",
"created_at": "2022-09-04T14:35:47.563436Z",
"updated_at": "2022-09-04T14:35:47.563465Z",
"structure_string": "Na1 Mn1 Be2\n1.0\n2.846504 -0.000000 0.000000\n0.000000 2.846504 0.000000\n0.000000 0.000000 6.561489\nNa Mn Be\n1 1 2\ndirect\n0.499999 0.499999 0.500000 Na\n0.499999 0.499999 0.000000 Mn\n0.000000 0.000000 0.837383 Be\n0.000000 0.000000 0.162617 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mn",
"Be"
],
"chemical_system": "Be-Mn-Na",
"density": 2.9969392109016777,
"density_atomic": 0.07523743642706693,
"volume": 53.165022493522734,
"volume_molar": 8.004181224114003,
"formula_full": "Na1 Mn1 Be2",
"formula_reduced": "NaMnBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8676946103448275,
"spacegroup": 123
},
{
"id": "jvasp-12293",
"created_at": "2022-09-04T14:38:14.626463Z",
"updated_at": "2022-09-04T14:38:14.626481Z",
"structure_string": "Na2 Ca2 Ta3 O10\n1.0\n3.941722 0.000000 -0.529862\n-0.071227 3.941078 -0.529862\n-0.049402 -0.050302 14.558953\nNa Ca Ta O\n2 2 3 10\ndirect\n0.711667 0.711668 0.423335 Na\n0.288333 0.288333 0.576665 Na\n0.576527 0.576528 0.153055 Ca\n0.423472 0.423473 0.846945 Ca\n0.855847 0.855849 0.711698 Ta\n0.000000 0.000000 0.000000 Ta\n0.144152 0.144152 0.288302 Ta\n0.069076 0.069076 0.138152 O\n0.790621 0.790623 0.581244 O\n0.930923 0.930925 0.861848 O\n0.633716 0.133716 0.267432 O\n0.133716 0.633716 0.267432 O\n0.366283 0.866285 0.732568 O\n0.866284 0.366285 0.732568 O\n0.209378 0.209378 0.418756 O\n0.500000 0.000000 0.000000 O\n-0.000000 0.500000 0.000000 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Na",
"Ca",
"Ta",
"O"
],
"chemical_system": "Ca-Na-O-Ta",
"density": 6.092030620873816,
"density_atomic": 0.07523525933880847,
"volume": 225.95788396825424,
"volume_molar": 8.004412841697496,
"formula_full": "Na2 Ca2 Ta3 O10",
"formula_reduced": "Na2Ca2Ta3O10",
"formula_anonymous": "A2B2C3D10",
"energy_above_hull": 2.918961849411765,
"spacegroup": 139
}
]
}