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=-created_at&page=1523",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=1521",
"results": [
{
"id": "jvasp-25289",
"created_at": "2022-09-04T14:37:55.645626Z",
"updated_at": "2022-09-04T14:37:55.645638Z",
"structure_string": "C2\n1.0\n1.801408 2.473372 9.062294\n-0.706943 1.523893 3.156622\n-1.420586 -2.284067 -4.141944\nC\n2\ndirect\n0.833386 0.333046 0.000000 C\n0.166615 0.666950 0.000000 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.2747407938954756,
"density_atomic": 0.1140550447358332,
"volume": 17.535392710004793,
"volume_molar": 5.280030159076336,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy_above_hull": 0.0036100000000001,
"spacegroup": 166
},
{
"id": "jvasp-30116",
"created_at": "2022-09-04T14:37:55.643146Z",
"updated_at": "2022-09-04T14:37:55.643161Z",
"structure_string": "Cr2 O4\n1.0\n-1.267430 -2.473929 0.826417\n3.838268 2.346868 7.837910\n-1.512020 2.473974 0.000241\nCr O\n2 4\ndirect\n0.503086 0.749796 0.246301 Cr\n0.504830 0.249733 0.748205 Cr\n0.767520 0.143418 0.379581 O\n0.765797 0.643478 0.877725 O\n0.242110 0.356055 0.116795 O\n0.240396 0.856111 0.614901 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 4.313041511172328,
"density_atomic": 0.09276900059281758,
"volume": 64.67677738962875,
"volume_molar": 6.4915442890588295,
"formula_full": "Cr2 O4",
"formula_reduced": "CrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2117548,
"spacegroup": 166
},
{
"id": "jvasp-25386",
"created_at": "2022-09-04T14:37:55.640929Z",
"updated_at": "2022-09-04T14:37:55.640963Z",
"structure_string": "Na1\n1.0\n0.000000 -3.709833 0.000000\n-3.709833 0.000000 0.000000\n1.854915 1.854915 -2.651031\nNa\n1\ndirect\n0.000000 0.000000 0.000000 Na\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.0463095370918079,
"density_atomic": 0.027407944970358606,
"volume": 36.48577086248127,
"volume_molar": 21.97224478709688,
"formula_full": "Na1",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy_above_hull": 0.0112099999999999,
"spacegroup": 225
},
{
"id": "jvasp-38862",
"created_at": "2022-09-04T14:37:55.636686Z",
"updated_at": "2022-09-04T14:37:55.636707Z",
"structure_string": "Yb2 Pt1 Au1\n1.0\n0.000000 3.466481 3.466481\n3.466481 -0.000000 3.466481\n3.466481 3.466481 0.000000\nYb Pt Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500001 0.500001 Yb\n0.749999 0.749999 0.749999 Pt\n0.250001 0.250001 0.250001 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Pt",
"Au"
],
"chemical_system": "Au-Pt-Yb",
"density": 14.712477814733173,
"density_atomic": 0.048013517434647185,
"volume": 83.30987217182192,
"volume_molar": 12.542594422907962,
"formula_full": "Yb2 Pt1 Au1",
"formula_reduced": "Yb2PtAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0719375925,
"spacegroup": 225
},
{
"id": "jvasp-39814",
"created_at": "2022-09-04T14:37:55.636578Z",
"updated_at": "2022-09-04T14:37:55.636605Z",
"structure_string": "Yb2 Be26\n1.0\n0.000000 5.102681 5.102681\n5.102681 -0.000000 5.102681\n5.102681 5.102681 -0.000000\nYb Be\n2 26\ndirect\n0.249999 0.249999 0.249999 Yb\n0.750000 0.750000 0.750000 Yb\n0.210891 0.789110 0.564489 Be\n0.789108 0.435510 0.564491 Be\n0.435510 0.564491 0.789108 Be\n0.435509 0.789109 0.210892 Be\n0.789109 0.210892 0.435509 Be\n0.564489 0.210891 0.789110 Be\n0.564490 0.435511 0.210890 Be\n0.210890 0.564490 0.435511 Be\n0.789110 0.564489 0.210891 Be\n0.564491 0.789108 0.435510 Be\n0.210892 0.435509 0.789109 Be\n0.435511 0.210890 0.564490 Be\n0.710892 0.289109 0.935510 Be\n0.064489 0.710890 0.935512 Be\n0.935512 0.064489 0.710890 Be\n0.710890 0.064489 0.289111 Be\n0.289111 0.710890 0.064489 Be\n0.289109 0.935510 0.710892 Be\n0.064491 0.935510 0.289109 Be\n0.935510 0.289109 0.064491 Be\n0.289109 0.064491 0.935510 Be\n0.064489 0.289111 0.710890 Be\n0.710890 0.935512 0.064489 Be\n0.935510 0.710892 0.289109 Be\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Be\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Yb",
"Be"
],
"chemical_system": "Be-Yb",
"density": 3.62701042568588,
"density_atomic": 0.10537383336135879,
"volume": 265.7206168440273,
"volume_molar": 5.715024848102712,
"formula_full": "Yb2 Be26",
"formula_reduced": "YbBe13",
"formula_anonymous": "AB13",
"energy_above_hull": 2.0304835714285714,
"spacegroup": 226
},
{
"id": "jvasp-37556",
"created_at": "2022-09-04T14:37:55.631931Z",
"updated_at": "2022-09-04T14:37:55.631956Z",
"structure_string": "Ti1 Os3\n1.0\n3.894181 0.000000 -0.000000\n0.000000 3.894181 0.000000\n-0.000000 -0.000000 3.894181\nTi Os\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Os"
],
"chemical_system": "Os-Ti",
"density": 17.393237333733307,
"density_atomic": 0.06773475914557692,
"volume": 59.05387500386794,
"volume_molar": 8.890768692418456,
"formula_full": "Ti1 Os3",
"formula_reduced": "TiOs3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.382160833333333,
"spacegroup": 221
},
{
"id": "jvasp-40373",
"created_at": "2022-09-04T14:37:55.631278Z",
"updated_at": "2022-09-04T14:37:55.631297Z",
"structure_string": "Be2 Co1 Ir1\n1.0\n-0.000000 2.711639 2.711639\n2.711639 0.000000 2.711639\n2.711639 2.711639 0.000000\nBe Co Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.500001 Be\n0.249999 0.249999 0.249999 Co\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Ir"
],
"chemical_system": "Be-Co-Ir",
"density": 11.20875812314312,
"density_atomic": 0.10030772512299437,
"volume": 39.87728756778522,
"volume_molar": 6.003665971505016,
"formula_full": "Be2 Co1 Ir1",
"formula_reduced": "Be2CoIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.77550605,
"spacegroup": 225
},
{
"id": "jvasp-25294",
"created_at": "2022-09-04T14:37:55.628187Z",
"updated_at": "2022-09-04T14:37:55.628218Z",
"structure_string": "Ba2\n1.0\n3.846988 0.000608 0.000258\n0.000855 5.440867 0.000004\n0.000372 0.000004 5.440463\nBa\n2\ndirect\n0.999999 0.000001 0.999999 Ba\n0.000000 0.499999 0.500000 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 4.005071153389836,
"density_atomic": 0.01756326304941067,
"volume": 113.87405599821666,
"volume_molar": 34.28827970666915,
"formula_full": "Ba2",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy_above_hull": 0.29612,
"spacegroup": 221
},
{
"id": "jvasp-28802",
"created_at": "2022-09-04T14:37:55.625856Z",
"updated_at": "2022-09-04T14:37:55.625873Z",
"structure_string": "Mo3 W1 Se4 S4\n1.0\n3.257860 0.000004 0.000059\n-1.628926 2.821394 0.000115\n0.000590 0.000879 33.846620\nMo W Se S\n3 1 4 4\ndirect\n0.333527 0.666988 0.094790 Mo\n0.333303 0.666584 0.466845 Mo\n0.666764 0.333538 0.277418 Mo\n0.666399 0.332884 0.663861 W\n0.333017 0.666156 0.714289 Se\n0.666682 0.333307 0.416681 Se\n0.666597 0.333203 0.517021 Se\n0.333110 0.666275 0.613365 Se\n0.333405 0.666850 0.323104 S\n0.666912 0.333725 0.049157 S\n0.666812 0.333587 0.140462 S\n0.333455 0.666889 0.231756 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 4.887862707017082,
"density_atomic": 0.03857176192109341,
"volume": 311.10842238808027,
"volume_molar": 15.612822593687957,
"formula_full": "Mo3 W1 Se4 S4",
"formula_reduced": "Mo3W(SeS)4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 3.906206763888889,
"spacegroup": 156
},
{
"id": "jvasp-55028",
"created_at": "2022-09-04T14:37:55.611154Z",
"updated_at": "2022-09-04T14:37:55.611185Z",
"structure_string": "Be12 Pt1\n1.0\n3.872380 -0.000000 1.608783\n1.936191 5.123838 0.804392\n-0.029614 0.000000 5.536127\nBe Pt\n12 1\ndirect\n0.000000 0.652073 0.347927 Be\n-0.000000 0.500000 -0.000000 Be\n0.652073 0.347927 0.347927 Be\n0.500001 0.226112 0.773888 Be\n0.000001 0.347927 0.652073 Be\n0.500000 0.000000 0.500000 Be\n0.347927 0.652073 0.652073 Be\n0.273888 0.226112 0.226112 Be\n0.500000 0.773889 0.226111 Be\n0.000000 -0.000000 0.500000 Be\n0.726112 0.773889 0.773888 Be\n0.500000 0.500000 -0.000000 Be\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Be",
"Pt"
],
"chemical_system": "Be-Pt",
"density": 4.573809210290149,
"density_atomic": 0.11808639653185543,
"volume": 110.08888730458526,
"volume_molar": 5.099775195846072,
"formula_full": "Be12 Pt1",
"formula_reduced": "Be12Pt",
"formula_anonymous": "AB12",
"energy_above_hull": 2.3256880461538465,
"spacegroup": 139
},
{
"id": "jvasp-37296",
"created_at": "2022-09-04T14:37:55.608896Z",
"updated_at": "2022-09-04T14:37:55.608906Z",
"structure_string": "Sm3 Zn1\n1.0\n-2.350231 2.350231 4.903788\n2.350231 -2.350231 4.903788\n2.350231 2.350231 -4.903788\nSm Zn\n3 1\ndirect\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Zn"
],
"chemical_system": "Sm-Zn",
"density": 7.915847070450722,
"density_atomic": 0.03691876908074459,
"volume": 108.3459741372105,
"volume_molar": 16.31186767584003,
"formula_full": "Sm3 Zn1",
"formula_reduced": "Sm3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 1.1028477124999998,
"spacegroup": 139
},
{
"id": "jvasp-16450",
"created_at": "2022-09-04T14:37:55.608470Z",
"updated_at": "2022-09-04T14:37:55.608497Z",
"structure_string": "Sc1 Au1\n1.0\n3.388321 -0.000000 0.000000\n-0.000000 3.388321 0.000000\n0.000000 -0.000000 3.388321\nSc Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Au"
],
"chemical_system": "Au-Sc",
"density": 10.326940690967009,
"density_atomic": 0.051413403355983794,
"volume": 38.900361957213796,
"volume_molar": 11.71317276606453,
"formula_full": "Sc1 Au1",
"formula_reduced": "ScAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.5757764099999998,
"spacegroup": 221
}
]
}