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=nsites&page=3560",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3558",
"results": [
{
"id": "jvasp-9505",
"created_at": "2022-09-04T14:37:15.413991Z",
"updated_at": "2022-09-04T14:37:15.414016Z",
"structure_string": "Sr4 Fe2 S2 O6\n1.0\n3.971774 0.000000 0.000000\n0.000000 3.971774 0.000000\n0.000000 -0.000000 13.475236\nSr Fe S O\n4 2 2 6\ndirect\n0.000000 0.500000 0.860608 Sr\n0.500000 0.000000 0.139393 Sr\n0.000000 0.500000 0.600394 Sr\n0.500000 0.000000 0.399606 Sr\n0.500000 0.000000 0.724800 Fe\n0.000000 0.500000 0.275200 Fe\n0.500000 0.000000 0.905177 S\n0.000000 0.500000 0.094823 S\n0.500000 0.500000 0.727263 O\n0.000000 0.000000 0.727263 O\n0.000000 0.000000 0.272737 O\n0.500000 0.500000 0.272737 O\n0.500000 0.000000 0.583545 O\n0.000000 0.500000 0.416455 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"S",
"O"
],
"chemical_system": "Fe-O-S-Sr",
"density": 4.861171566982596,
"density_atomic": 0.0658601322826131,
"volume": 212.571695725184,
"volume_molar": 9.14383338034963,
"formula_full": "Sr4 Fe2 S2 O6",
"formula_reduced": "Sr2FeSO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.5459583742857144,
"spacegroup": 129
},
{
"id": "jvasp-30358",
"created_at": "2022-09-04T14:37:14.232784Z",
"updated_at": "2022-09-04T14:37:14.232804Z",
"structure_string": "Ti1 V2 Cr1 O10\n1.0\n6.625328 -0.000000 0.000000\n0.000000 6.625328 -0.000000\n-0.000000 -0.000000 4.158000\nTi V Cr O\n1 2 1 10\ndirect\n0.750000 0.250000 0.500000 Ti\n0.250000 0.250000 0.644494 V\n0.750000 0.750000 0.355506 V\n0.250000 0.750000 0.500000 Cr\n0.045478 0.750000 0.269983 O\n0.250000 0.250000 0.254726 O\n0.250000 0.545478 0.730017 O\n0.250000 0.954523 0.730017 O\n0.454523 0.750000 0.269983 O\n0.517716 0.250000 0.742626 O\n0.750000 0.017716 0.257374 O\n0.750000 0.482284 0.257374 O\n0.750000 0.750000 0.745274 O\n0.982284 0.250000 0.742626 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ti",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-O-Ti-V",
"density": 3.291141078914508,
"density_atomic": 0.07670590234018013,
"volume": 182.5152898653343,
"volume_molar": 7.850948331580319,
"formula_full": "Ti1 V2 Cr1 O10",
"formula_reduced": "TiV2CrO10",
"formula_anonymous": "ABC2D10",
"energy_above_hull": 3.491997795238095,
"spacegroup": 115
},
{
"id": "jvasp-9328",
"created_at": "2022-09-04T14:37:28.403260Z",
"updated_at": "2022-09-04T14:37:28.403281Z",
"structure_string": "Ba2 Y1 Sn3 O8\n1.0\n4.292339 -0.000000 0.000000\n-0.000000 4.292339 0.000000\n-0.000000 -0.000000 11.641479\nBa Y Sn O\n2 1 3 8\ndirect\n0.500000 0.500000 0.170483 Ba\n0.500000 0.500000 0.829517 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.366308 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.633692 Sn\n0.000000 0.500000 0.374465 O\n0.500000 0.000000 0.374465 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.186347 O\n0.000000 0.500000 0.625535 O\n0.500000 0.000000 0.625535 O\n0.000000 0.000000 0.813654 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Sn",
"O"
],
"chemical_system": "Ba-O-Sn-Y",
"density": 6.562773769937503,
"density_atomic": 0.06527274063068639,
"volume": 214.48463577180092,
"volume_molar": 9.226119053393688,
"formula_full": "Ba2 Y1 Sn3 O8",
"formula_reduced": "Ba2YSn3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.861841463571428,
"spacegroup": 123
},
{
"id": "jvasp-9693",
"created_at": "2022-09-04T14:37:10.025838Z",
"updated_at": "2022-09-04T14:37:10.025850Z",
"structure_string": "Sr4 Sn2 O8\n1.0\n5.246588 -0.000000 -2.377112\n-0.000000 5.879226 0.000000\n-0.028683 0.000000 6.915193\nSr Sn O\n4 2 8\ndirect\n0.147010 0.486650 0.294020 Sr\n0.852991 0.513351 0.705980 Sr\n0.352991 0.986650 0.705980 Sr\n0.647010 0.013351 0.294020 Sr\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.336425 0.553460 0.672848 O\n0.663576 0.446540 0.327152 O\n0.163576 0.053460 0.327152 O\n0.836425 0.946541 0.672848 O\n0.230038 0.250000 0.960074 O\n0.269963 0.750001 0.039926 O\n0.730038 0.250000 0.960074 O\n0.769963 0.750001 0.039926 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"O"
],
"chemical_system": "O-Sn-Sr",
"density": 5.5835968989039655,
"density_atomic": 0.06575723524544802,
"volume": 212.90432828787667,
"volume_molar": 9.158141666877452,
"formula_full": "Sr4 Sn2 O8",
"formula_reduced": "Sr2SnO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1273922238095238,
"spacegroup": 64
},
{
"id": "jvasp-9360",
"created_at": "2022-09-04T14:37:16.791204Z",
"updated_at": "2022-09-04T14:37:16.791230Z",
"structure_string": "Ba1 Mg1 Cr4 O8\n1.0\n2.671049 -4.626393 -0.000000\n2.671049 4.626393 -0.000000\n0.000000 0.000000 7.183314\nBa Mg Cr O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.740083 Cr\n0.666667 0.333333 0.740083 Cr\n0.333333 0.666667 0.259917 Cr\n0.666667 0.333333 0.259917 Cr\n0.684278 0.000000 0.676965 O\n0.000000 0.684278 0.676965 O\n0.315721 0.315721 0.676965 O\n0.315721 0.000000 0.323034 O\n0.684279 0.684279 0.323034 O\n0.000000 0.315721 0.323034 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Cr",
"O"
],
"chemical_system": "Ba-Cr-Mg-O",
"density": 4.654364263108992,
"density_atomic": 0.07885855444410712,
"volume": 177.5330539430929,
"volume_molar": 7.636636002842703,
"formula_full": "Ba1 Mg1 Cr4 O8",
"formula_reduced": "BaMgCr4O8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 3.142515187142857,
"spacegroup": 162
},
{
"id": "jvasp-9661",
"created_at": "2022-09-04T14:37:28.853292Z",
"updated_at": "2022-09-04T14:37:28.853317Z",
"structure_string": "Y2 Cr4 O8\n1.0\n5.083565 0.105819 -2.518537\n-1.367917 4.878181 -2.554854\n-0.014565 0.028901 6.363200\nY Cr O\n2 4 8\ndirect\n0.875003 0.125003 0.750003 Y\n0.124998 0.874996 0.249997 Y\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500001 0.500000 0.500000 Cr\n0.723454 0.524256 0.851387 O\n0.127924 0.827122 0.851379 O\n0.276548 0.475744 0.148614 O\n0.872077 0.172877 0.148622 O\n0.524287 0.127940 0.351381 O\n0.827098 0.723444 0.351383 O\n0.172903 0.276555 0.648618 O\n0.475714 0.872060 0.648619 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Cr",
"O"
],
"chemical_system": "Cr-O-Y",
"density": 5.365206527500486,
"density_atomic": 0.08803971670353732,
"volume": 159.01913959063774,
"volume_molar": 6.840254586777923,
"formula_full": "Y2 Cr4 O8",
"formula_reduced": "YCr2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.2516720357142863,
"spacegroup": 88
},
{
"id": "jvasp-9868",
"created_at": "2022-09-04T14:37:14.319606Z",
"updated_at": "2022-09-04T14:37:14.319633Z",
"structure_string": "Ca2 Ag4 O8\n1.0\n5.967650 0.003074 0.001425\n-0.002472 5.967434 -0.003137\n-2.983692 -2.982542 5.061890\nCa Ag O\n2 4 8\ndirect\n0.874996 0.124997 0.749997 Ca\n0.125004 0.874999 0.249999 Ca\n0.500001 0.500000 0.500001 Ag\n-0.000001 0.500000 0.500001 Ag\n0.500002 0.000002 0.000002 Ag\n0.500000 0.499999 0.000002 Ag\n0.724153 0.826786 0.853774 O\n0.472998 0.275842 0.646220 O\n0.173221 0.870368 0.646208 O\n0.870382 0.473012 0.146217 O\n0.826782 0.129631 0.353793 O\n0.527002 0.724157 0.353782 O\n0.129621 0.526987 0.853782 O\n0.275846 0.173212 0.146225 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"O"
],
"chemical_system": "Ag-Ca-O",
"density": 5.8930942576098335,
"density_atomic": 0.07767791765311141,
"volume": 180.23140196059603,
"volume_molar": 7.752706228420352,
"formula_full": "Ca2 Ag4 O8",
"formula_reduced": "Ca(AgO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.24474842,
"spacegroup": 88
},
{
"id": "jvasp-9440",
"created_at": "2022-09-04T14:37:09.977904Z",
"updated_at": "2022-09-04T14:37:09.977934Z",
"structure_string": "Al4 Cd2 Se8\n1.0\n6.692758 0.000000 3.864065\n2.230919 6.309993 3.864065\n0.000000 0.000000 7.728131\nAl Cd Se\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500001 Al\n0.500000 0.500000 0.000001 Al\n0.875001 0.875000 0.875001 Cd\n0.125000 0.125000 0.125000 Cd\n0.263613 0.263613 0.709162 Se\n0.736388 0.736387 0.736388 Se\n0.263613 0.263613 0.263613 Se\n0.736388 0.736387 0.290839 Se\n0.290838 0.736387 0.736388 Se\n0.736388 0.290838 0.736388 Se\n0.709162 0.263613 0.263613 Se\n0.263613 0.709162 0.263613 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Cd",
"Se"
],
"chemical_system": "Al-Cd-Se",
"density": 4.9069372371052316,
"density_atomic": 0.042896273055509214,
"volume": 326.3686796725564,
"volume_molar": 14.038843776024896,
"formula_full": "Al4 Cd2 Se8",
"formula_reduced": "Al2CdSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0308969738095235,
"spacegroup": 227
},
{
"id": "jvasp-11651",
"created_at": "2022-09-04T14:37:10.441753Z",
"updated_at": "2022-09-04T14:37:10.441769Z",
"structure_string": "Y2 Ni4 O8\n1.0\n5.366889 -0.217905 -2.898444\n-1.550110 5.282948 -2.634311\n-0.316339 -0.096819 6.094457\nY Ni O\n2 4 8\ndirect\n0.000000 0.500001 0.000001 Y\n0.000001 -0.000000 0.500000 Y\n0.371510 0.621511 0.750001 Ni\n0.628490 0.378491 0.250001 Ni\n0.500001 0.000000 0.500001 Ni\n0.000000 0.000000 0.000000 Ni\n0.733066 0.755830 0.522631 O\n0.733201 0.210439 0.977374 O\n0.235294 0.235128 0.000172 O\n0.266934 0.244171 0.477372 O\n0.265046 0.764879 0.500172 O\n0.266799 0.789563 0.022630 O\n0.734954 0.235122 0.499829 O\n0.764707 0.764875 -0.000171 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Ni",
"O"
],
"chemical_system": "Ni-O-Y",
"density": 5.476570528759701,
"density_atomic": 0.08541364341613943,
"volume": 163.9082404176499,
"volume_molar": 7.0505606822786335,
"formula_full": "Y2 Ni4 O8",
"formula_reduced": "Y(NiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.1327848928571425,
"spacegroup": 74
},
{
"id": "jvasp-33315",
"created_at": "2022-09-04T14:37:06.369211Z",
"updated_at": "2022-09-04T14:37:06.369238Z",
"structure_string": "B5 H9\n1.0\n-3.509441 3.509441 2.590914\n3.509441 -3.509441 2.590914\n3.509441 3.509441 -2.590914\nB H\n5 9\ndirect\n0.234120 0.234120 0.000000 B\n0.198493 0.017804 0.180689 B\n0.837115 0.017804 0.819311 B\n0.017804 0.198493 0.180689 B\n0.017804 0.837115 0.819311 B\n0.463630 0.463630 0.000000 H\n0.396276 0.047682 0.348593 H\n0.699088 0.047682 0.651406 H\n0.047682 0.396276 0.348593 H\n0.047682 0.699088 0.651406 H\n0.981884 0.706765 0.000000 H\n0.706765 0.981884 0.000000 H\n0.706766 0.706766 0.724881 H\n0.981884 0.981884 0.275119 H\n",
"nsites": 14,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 0.8212429474556479,
"density_atomic": 0.10968295832242175,
"volume": 127.64061267244351,
"volume_molar": 5.490498115757818,
"formula_full": "B5 H9",
"formula_reduced": "B5H9",
"formula_anonymous": "A5B9",
"energy_above_hull": 4.017581636904762,
"spacegroup": 107
},
{
"id": "jvasp-29801",
"created_at": "2022-09-04T14:37:29.069549Z",
"updated_at": "2022-09-04T14:37:29.069579Z",
"structure_string": "Te2 H4 O8\n1.0\n5.284627 0.000000 -2.689460\n0.000000 4.914617 0.000000\n0.016334 0.000000 5.279042\nTe H O\n2 4 8\ndirect\n-0.000000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.398089 0.259016 0.806912 H\n0.601910 0.759017 0.693087 H\n0.601911 0.740984 0.193087 H\n0.398089 0.240984 0.306912 H\n0.341284 0.362290 0.626205 O\n0.658715 0.862290 0.873794 O\n0.658716 0.637711 0.373795 O\n0.341284 0.137710 0.126205 O\n0.883606 0.182805 0.634526 O\n0.116393 0.682806 0.865473 O\n0.116393 0.817195 0.365473 O\n0.883607 0.317195 0.134527 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Te",
"H",
"O"
],
"chemical_system": "H-O-Te",
"density": 4.682439972272784,
"density_atomic": 0.10194961030665506,
"volume": 137.32274167492437,
"volume_molar": 5.906977713682234,
"formula_full": "Te2 H4 O8",
"formula_reduced": "Te(HO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.4235573952380944,
"spacegroup": 14
},
{
"id": "jvasp-34181",
"created_at": "2022-09-04T14:37:28.829373Z",
"updated_at": "2022-09-04T14:37:28.829401Z",
"structure_string": "Mn4 Ni2 O8\n1.0\n5.055869 0.000000 2.919007\n1.685290 4.766719 2.919007\n0.000000 0.000000 5.838014\nMn Ni O\n4 2 8\ndirect\n0.500000 -0.000000 0.499999 Mn\n0.999999 0.500000 0.500000 Mn\n0.499999 0.500000 0.000000 Mn\n0.499999 0.500000 0.500001 Mn\n0.125000 0.124999 0.125000 Ni\n0.875000 0.874999 0.875000 Ni\n0.739029 0.739028 0.739030 O\n0.260972 0.260970 0.717087 O\n0.260971 0.717087 0.260971 O\n0.717089 0.260970 0.260970 O\n0.739029 0.282913 0.739028 O\n0.282912 0.739028 0.739029 O\n0.260972 0.260970 0.260971 O\n0.739029 0.739028 0.282913 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"O"
],
"chemical_system": "Mn-Ni-O",
"density": 5.4896778089338225,
"density_atomic": 0.09950560396447662,
"volume": 140.6955934361042,
"volume_molar": 6.052061914171082,
"formula_full": "Mn4 Ni2 O8",
"formula_reduced": "Mn2NiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.900707268965517,
"spacegroup": 227
}
]
}