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=550",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=548",
"results": [
{
"id": "jvasp-56319",
"created_at": "2022-09-04T14:37:04.030056Z",
"updated_at": "2022-09-04T14:37:04.030087Z",
"structure_string": "Si6 Ir2\n1.0\n2.407084 -4.169191 0.000000\n2.407084 4.169191 -0.000000\n0.000000 0.000000 6.471293\nSi Ir\n6 2\ndirect\n0.666491 0.833244 0.580291 Si\n0.333507 0.166754 0.080291 Si\n0.833244 0.666491 0.080291 Si\n0.166754 0.833245 0.580291 Si\n0.833245 0.166754 0.080291 Si\n0.166754 0.333507 0.580291 Si\n0.666666 0.333332 0.758125 Ir\n0.333332 0.666666 0.258125 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Ir"
],
"chemical_system": "Ir-Si",
"density": 7.069171314305768,
"density_atomic": 0.061592224536551034,
"volume": 129.88652480399557,
"volume_molar": 9.777436689961158,
"formula_full": "Si6 Ir2",
"formula_reduced": "Si3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 3.547576725,
"spacegroup": 186
},
{
"id": "jvasp-28949",
"created_at": "2022-09-04T14:38:07.843287Z",
"updated_at": "2022-09-04T14:38:07.843307Z",
"structure_string": "Te4 Mo2 W2 S4\n1.0\n3.368862 0.000000 0.000000\n-1.684430 2.918063 -0.007076\n0.000000 -0.087067 31.960212\nTe Mo W S\n4 2 2 4\ndirect\n0.335356 0.670714 0.333177 Te\n0.333233 0.666467 0.747373 Te\n0.332203 0.664406 0.214624 Te\n0.330364 0.660728 0.628274 Te\n0.332908 0.665817 0.480199 Mo\n0.667205 0.334409 0.273895 Mo\n0.334617 0.669234 0.060944 W\n0.665243 0.330486 0.687901 W\n0.666339 0.332678 0.013426 S\n0.664718 0.329438 0.432935 S\n0.669773 0.339546 0.108535 S\n0.668033 0.336065 0.527460 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 6.332876141704349,
"density_atomic": 0.0381941261746612,
"volume": 314.1844362435252,
"volume_molar": 15.767190830497956,
"formula_full": "Te4 Mo2 W2 S4",
"formula_reduced": "Te2MoWS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.5473735722222224,
"spacegroup": 156
},
{
"id": "jvasp-29101",
"created_at": "2022-09-04T14:38:34.279573Z",
"updated_at": "2022-09-04T14:38:34.279594Z",
"structure_string": "Te4 Mo2 W2 S4\n1.0\n3.368092 0.000000 0.000000\n-1.684047 2.916904 0.000110\n0.000000 0.002002 34.811627\nTe Mo W S\n4 2 2 4\ndirect\n0.666609 0.333219 0.032978 Te\n0.666739 0.333481 0.416751 Te\n0.666545 0.333090 0.141659 Te\n0.666666 0.333331 0.526155 Te\n0.333235 0.666471 0.087236 Mo\n0.666634 0.333270 0.279343 Mo\n0.333355 0.666711 0.471462 W\n0.666746 0.333494 0.664844 W\n0.333281 0.666563 0.322752 S\n0.333412 0.666828 0.708440 S\n0.333329 0.666660 0.235937 S\n0.333435 0.666873 0.621194 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.817752740042208,
"density_atomic": 0.03508737218826325,
"volume": 342.003383314468,
"volume_molar": 17.16327095596635,
"formula_full": "Te4 Mo2 W2 S4",
"formula_reduced": "Te2MoWS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.5473535722222223,
"spacegroup": 156
},
{
"id": "jvasp-51199",
"created_at": "2022-09-04T14:36:49.244927Z",
"updated_at": "2022-09-04T14:36:49.244949Z",
"structure_string": "Tl1 Co1 W1\n1.0\n-0.000000 3.077291 3.077291\n3.077291 0.000000 3.077291\n3.077291 3.077291 -0.000000\nTl Co W\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Co\n0.750000 0.750000 0.750000 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"Co",
"W"
],
"chemical_system": "Co-Tl-W",
"density": 12.740103173600797,
"density_atomic": 0.05147372038162643,
"volume": 58.28216763346392,
"volume_molar": 11.69944724288786,
"formula_full": "Tl1 Co1 W1",
"formula_reduced": "TlCoW",
"formula_anonymous": "ABC",
"energy_above_hull": 3.547261166666666,
"spacegroup": 216
},
{
"id": "jvasp-62936",
"created_at": "2022-09-04T14:35:45.313647Z",
"updated_at": "2022-09-04T14:35:45.313675Z",
"structure_string": "B12 H24 N12\n1.0\n5.270454 -0.000000 -0.000000\n-0.000000 5.270454 0.000000\n0.000000 -0.000000 16.105061\nB H N\n12 24 12\ndirect\n0.339813 0.560493 0.059086 B\n0.342598 0.657401 0.750000 B\n0.842598 0.842598 0.500000 B\n0.157401 0.157401 0.000000 B\n0.439506 0.660186 0.440914 B\n0.560493 0.339813 0.940914 B\n0.657401 0.342598 0.250000 B\n0.160186 0.060494 0.690914 B\n0.060494 0.160186 0.309086 B\n0.939505 0.839813 0.809086 B\n0.660186 0.439506 0.559086 B\n0.839813 0.939505 0.190914 B\n0.126772 0.504190 0.848951 H\n0.873227 0.495809 0.348951 H\n0.495809 0.873227 0.651049 H\n0.504190 0.126772 0.151049 H\n0.373228 0.004190 0.901049 H\n-0.003849 -0.003849 0.000000 H\n0.003849 0.003849 0.500000 H\n0.503849 0.496150 0.750000 H\n0.496150 0.503849 0.250000 H\n0.995809 0.626771 0.598951 H\n0.626771 0.995809 0.401049 H\n0.004190 0.373228 0.098951 H\n0.267526 0.671511 0.392330 H\n0.732474 0.328488 0.892330 H\n0.828487 0.767525 0.142330 H\n0.171512 0.232474 0.642330 H\n0.232474 0.171512 0.357670 H\n0.767525 0.828487 0.857670 H\n0.671511 0.267526 0.607670 H\n0.328488 0.732474 0.107670 H\n0.178725 0.821274 0.250000 H\n0.821274 0.178725 0.750000 H\n0.321274 0.321274 0.500000 H\n0.678725 0.678725 0.000000 H\n0.652406 0.136956 0.191712 N\n0.347593 0.863043 0.691712 N\n0.863043 0.347593 0.308288 N\n0.136956 0.652406 0.808288 N\n0.847593 0.636956 0.558288 N\n0.541889 0.541889 0.000000 N\n0.041889 0.958110 0.250000 N\n0.958110 0.041889 0.750000 N\n0.458110 0.458110 0.500000 N\n0.363043 0.152406 0.941712 N\n0.152406 0.363043 0.058288 N\n0.636956 0.847593 0.441712 N\n",
"nsites": 48,
"nelements": 3,
"elements": [
"B",
"H",
"N"
],
"chemical_system": "B-H-N",
"density": 1.1952273788794123,
"density_atomic": 0.10729582140445051,
"volume": 447.36131726010547,
"volume_molar": 5.612651714832027,
"formula_full": "B12 H24 N12",
"formula_reduced": "BH2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.547063958333334,
"spacegroup": 96
},
{
"id": "jvasp-74770",
"created_at": "2022-09-04T14:36:10.206043Z",
"updated_at": "2022-09-04T14:36:10.206060Z",
"structure_string": "Zr1 Be1 Nb1\n1.0\n1.585769 -2.746632 0.000000\n1.585769 2.746632 0.000000\n0.000000 0.000000 6.056359\nZr Be Nb\n1 1 1\ndirect\n0.333334 0.666667 0.694953 Zr\n0.000000 -0.000000 0.011054 Be\n0.666667 0.333334 0.293992 Nb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Be",
"Nb"
],
"chemical_system": "Be-Nb-Zr",
"density": 6.0791810794725185,
"density_atomic": 0.05686424131429474,
"volume": 52.757232500802736,
"volume_molar": 10.590382674262695,
"formula_full": "Zr1 Be1 Nb1",
"formula_reduced": "ZrBeNb",
"formula_anonymous": "ABC",
"energy_above_hull": 3.5468866666666665,
"spacegroup": 156
},
{
"id": "jvasp-11790",
"created_at": "2022-09-04T14:36:39.302776Z",
"updated_at": "2022-09-04T14:36:39.302793Z",
"structure_string": "Mn2 V2 O7\n1.0\n5.013468 0.097177 -0.652481\n-0.950810 5.075147 -1.511460\n0.046783 -0.131345 5.378311\nMn V O\n2 2 7\ndirect\n-0.000000 0.813608 0.186393 Mn\n-0.000000 0.186394 0.813607 Mn\n0.394212 0.748734 0.748733 V\n0.605788 0.251268 0.251267 V\n0.799036 0.442425 0.104890 O\n0.200965 0.895111 0.557576 O\n0.200964 0.557577 0.895110 O\n0.799036 0.104891 0.442424 O\n0.500000 0.500001 0.500000 O\n0.274790 0.074307 0.074307 O\n0.725211 0.925695 0.925694 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-V",
"density": 3.940988133987742,
"density_atomic": 0.08063663165990223,
"volume": 136.4144282017414,
"volume_molar": 7.468244439325458,
"formula_full": "Mn2 V2 O7",
"formula_reduced": "Mn2V2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.546686125705329,
"spacegroup": 12
},
{
"id": "jvasp-93517",
"created_at": "2022-09-04T14:35:52.274595Z",
"updated_at": "2022-09-04T14:35:52.274624Z",
"structure_string": "Te2 Mo1 W1 S2\n1.0\n3.361517 0.000002 0.000001\n-1.680756 2.911130 0.000010\n0.000007 0.000080 23.878385\nTe Mo W S\n2 1 1 2\ndirect\n0.333352 0.666706 0.530501 Te\n0.333356 0.666713 0.372258 Te\n0.666691 0.333380 0.451445 Mo\n0.333311 0.666622 0.150406 W\n0.666646 0.333292 0.086807 S\n0.666643 0.333284 0.214186 S\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 4.2574901805564584,
"density_atomic": 0.025677293145321394,
"volume": 233.669490239599,
"volume_molar": 23.45317602567186,
"formula_full": "Te2 Mo1 W1 S2",
"formula_reduced": "Te2MoWS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.5464919055555555,
"spacegroup": 156
},
{
"id": "jvasp-75478",
"created_at": "2022-09-04T14:35:49.912315Z",
"updated_at": "2022-09-04T14:35:49.912347Z",
"structure_string": "Na1 As1 Os2\n1.0\n0.000000 3.151057 3.151057\n3.151057 0.000000 3.151057\n3.151057 3.151057 0.000000\nNa As Os\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Na\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Os\n0.250000 0.250000 0.250000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"As",
"Os"
],
"chemical_system": "As-Na-Os",
"density": 12.694497168032354,
"density_atomic": 0.06392359891002132,
"volume": 62.57469961336797,
"volume_molar": 9.420841227160487,
"formula_full": "Na1 As1 Os2",
"formula_reduced": "NaAsOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5464101875,
"spacegroup": 216
},
{
"id": "jvasp-20252",
"created_at": "2022-09-04T14:37:51.466923Z",
"updated_at": "2022-09-04T14:37:51.466943Z",
"structure_string": "Ti4 Mn8\n1.0\n2.360605 -4.088688 -0.000000\n2.360605 4.088688 -0.000000\n-0.000000 0.000000 7.799919\nTi Mn\n4 8\ndirect\n0.333334 0.666668 0.437003 Ti\n0.666668 0.333334 0.937003 Ti\n0.666668 0.333334 0.562997 Ti\n0.333334 0.666668 0.062997 Ti\n0.655431 0.827716 0.750000 Mn\n0.344571 0.172286 0.250000 Mn\n0.827716 0.172286 0.250000 Mn\n0.172286 0.344571 0.750000 Mn\n0.172286 0.827716 0.750000 Mn\n0.827716 0.655431 0.250000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"Mn"
],
"chemical_system": "Mn-Ti",
"density": 6.958763070272373,
"density_atomic": 0.07969918188965115,
"volume": 150.56616285741555,
"volume_molar": 7.556088553503668,
"formula_full": "Ti4 Mn8",
"formula_reduced": "TiMn2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.5463676053639848,
"spacegroup": 194
},
{
"id": "jvasp-34964",
"created_at": "2022-09-04T14:38:30.949974Z",
"updated_at": "2022-09-04T14:38:30.950005Z",
"structure_string": "Th2 Zr4 H14\n1.0\n5.731439 -0.000000 3.309048\n1.910480 5.403653 3.309048\n0.000000 0.000000 6.618097\nTh Zr H\n2 4 14\ndirect\n0.000000 0.000000 0.000000 Th\n0.250000 0.250000 0.250000 Th\n0.625000 0.625000 0.625001 Zr\n0.625000 0.625000 0.125000 Zr\n0.125000 0.625000 0.625001 Zr\n0.625000 0.125000 0.625001 Zr\n0.497652 0.002348 0.497653 H\n0.002348 0.497652 0.002348 H\n0.002348 0.497652 0.497653 H\n0.497652 0.497652 0.002348 H\n0.247652 0.752347 0.752349 H\n0.750000 0.750000 0.750001 H\n0.500000 0.500000 0.500001 H\n0.247652 0.752347 0.247653 H\n0.247652 0.247652 0.752348 H\n0.752348 0.752347 0.247653 H\n0.752348 0.247652 0.752348 H\n0.497652 0.002348 0.002348 H\n0.752348 0.247652 0.247653 H\n0.002348 0.002348 0.497653 H\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Th",
"Zr",
"H"
],
"chemical_system": "H-Th-Zr",
"density": 6.830229845905187,
"density_atomic": 0.0975766132366157,
"volume": 204.96714670247422,
"volume_molar": 6.171705043089347,
"formula_full": "Th2 Zr4 H14",
"formula_reduced": "ThZr2H7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 3.5461284600000003,
"spacegroup": 227
},
{
"id": "jvasp-1522",
"created_at": "2022-09-04T14:37:00.116413Z",
"updated_at": "2022-09-04T14:37:00.116438Z",
"structure_string": "Na1 Nb1 N2\n1.0\n3.040041 -0.000582 5.111039\n1.404691 2.696051 5.111039\n-0.000958 -0.000582 5.946811\nNa Nb N\n1 1 2\ndirect\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Nb\n0.732436 0.732438 0.732438 N\n0.267562 0.267563 0.267563 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Nb",
"N"
],
"chemical_system": "N-Na-Nb",
"density": 4.900526761209901,
"density_atomic": 0.08202836326568344,
"volume": 48.763620786194565,
"volume_molar": 7.341534708543138,
"formula_full": "Na1 Nb1 N2",
"formula_reduced": "NaNbN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.545913725,
"spacegroup": 166
}
]
}