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&page=4061",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=4059",
"results": [
{
"id": "jvasp-8677",
"created_at": "2022-09-04T14:37:05.360188Z",
"updated_at": "2022-09-04T14:37:05.360200Z",
"structure_string": "Zn1 B2 Ir2\n1.0\n2.934399 0.000000 -0.670699\n-0.153298 2.930392 -0.670699\n-0.020627 -0.021734 6.664304\nZn B Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250001 0.500000 B\n0.249999 0.750000 0.499999 B\n0.372630 0.372632 0.745263 Ir\n0.627368 0.627369 0.254736 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zn",
"B",
"Ir"
],
"chemical_system": "B-Ir-Zn",
"density": 13.68194042654257,
"density_atomic": 0.08738142931823951,
"volume": 57.22039613005423,
"volume_molar": 6.891785596762917,
"formula_full": "Zn1 B2 Ir2",
"formula_reduced": "Zn(BIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.486579553333333,
"spacegroup": 139
},
{
"id": "jvasp-40031",
"created_at": "2022-09-04T14:37:46.469645Z",
"updated_at": "2022-09-04T14:37:46.469671Z",
"structure_string": "Ti1 Al1 Rh2\n1.0\n0.000000 3.058458 3.058458\n3.058458 0.000000 3.058458\n3.058458 3.058458 0.000000\nTi Al Rh\n1 1 2\ndirect\n0.750002 0.750002 0.750002 Ti\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Rh"
],
"chemical_system": "Al-Rh-Ti",
"density": 8.145004822981202,
"density_atomic": 0.06990728452914577,
"volume": 57.218643621214014,
"volume_molar": 8.614468149580672,
"formula_full": "Ti1 Al1 Rh2",
"formula_reduced": "TiAlRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5767617833333336,
"spacegroup": 225
},
{
"id": "jvasp-39838",
"created_at": "2022-09-04T14:37:49.560170Z",
"updated_at": "2022-09-04T14:37:49.560179Z",
"structure_string": "Ti1 V1 Tc2\n1.0\n0.000000 3.058412 3.058412\n3.058412 0.000000 3.058412\n3.058412 3.058412 -0.000000\nTi V Tc\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Ti\n0.749999 0.749999 0.749999 V\n0.000000 0.000000 0.000000 Tc\n0.499999 0.499999 0.499999 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"V",
"Tc"
],
"chemical_system": "Tc-Ti-V",
"density": 8.556007090845782,
"density_atomic": 0.06991043889499457,
"volume": 57.216061910410794,
"volume_molar": 8.614079463934207,
"formula_full": "Ti1 V1 Tc2",
"formula_reduced": "TiVTc2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.656611383333334,
"spacegroup": 225
},
{
"id": "jvasp-115499",
"created_at": "2022-09-04T14:38:46.900371Z",
"updated_at": "2022-09-04T14:38:46.900397Z",
"structure_string": "B2 S2 O2\n1.0\n3.395359 0.000000 0.000000\n0.000000 3.395359 -0.000000\n0.000000 0.000000 4.963023\nB S O\n2 2 2\ndirect\n0.500000 0.000000 0.890276 B\n0.000000 0.500000 0.109723 B\n0.000000 0.500000 0.491410 S\n0.500000 0.000000 0.508590 S\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"B",
"S",
"O"
],
"chemical_system": "B-O-S",
"density": 3.417395756460402,
"density_atomic": 0.10486572465822691,
"volume": 57.21602572770939,
"volume_molar": 5.74271601100079,
"formula_full": "B2 S2 O2",
"formula_reduced": "BSO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4576786944444446,
"spacegroup": 129
},
{
"id": "jvasp-36286",
"created_at": "2022-09-04T14:37:19.068700Z",
"updated_at": "2022-09-04T14:37:19.068732Z",
"structure_string": "Li1 Cd1 As1\n1.0\n3.058325 3.058325 -0.000000\n3.058325 0.000000 -3.058325\n0.000000 3.058325 -3.058325\nLi Cd As\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Li\n0.000000 0.000000 0.000000 Cd\n0.499999 0.499999 0.499999 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Cd",
"As"
],
"chemical_system": "As-Cd-Li",
"density": 5.638738900906868,
"density_atomic": 0.05243730395980272,
"volume": 57.21117932187615,
"volume_molar": 11.484459164064653,
"formula_full": "Li1 Cd1 As1",
"formula_reduced": "LiCdAs",
"formula_anonymous": "ABC",
"energy_above_hull": 0.244303833333333,
"spacegroup": 216
},
{
"id": "jvasp-74429",
"created_at": "2022-09-04T14:35:47.903040Z",
"updated_at": "2022-09-04T14:35:47.903068Z",
"structure_string": "Be1 Tc1 Pt2\n1.0\n4.592302 0.000000 0.000000\n0.000000 4.592302 0.000000\n0.000000 -0.000000 2.712669\nBe Tc Pt\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Tc\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tc",
"Pt"
],
"chemical_system": "Be-Pt-Tc",
"density": 14.431292228698965,
"density_atomic": 0.06992014269784597,
"volume": 57.208121231755264,
"volume_molar": 8.61288396681937,
"formula_full": "Be1 Tc1 Pt2",
"formula_reduced": "BeTcPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.1144700999999992,
"spacegroup": 123
},
{
"id": "jvasp-51234",
"created_at": "2022-09-04T14:36:53.168749Z",
"updated_at": "2022-09-04T14:36:53.168767Z",
"structure_string": "Be2 Cd1 P1\n1.0\n0.000000 3.058233 3.058233\n3.058233 0.000000 3.058233\n3.058233 3.058233 -0.000000\nBe Cd P\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.749999 0.749999 0.749999 Be\n0.000000 0.000000 0.000000 Cd\n0.499999 0.499999 0.499999 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"P"
],
"chemical_system": "Be-Cd-P",
"density": 4.685279209588473,
"density_atomic": 0.06992271529874705,
"volume": 57.20601642699187,
"volume_molar": 8.612567081055433,
"formula_full": "Be2 Cd1 P1",
"formula_reduced": "Be2CdP",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3672693625,
"spacegroup": 225
},
{
"id": "jvasp-38335",
"created_at": "2022-09-04T14:37:54.448905Z",
"updated_at": "2022-09-04T14:37:54.448928Z",
"structure_string": "Rb1 Be1 O3\n1.0\n3.853007 0.000000 -0.000000\n-0.000000 3.853007 -0.000000\n-0.000000 0.000000 3.853007\nRb Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Be\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Be",
"O"
],
"chemical_system": "Be-O-Rb",
"density": 4.136167028910523,
"density_atomic": 0.08741191006907299,
"volume": 57.20044323535539,
"volume_molar": 6.8893824139539985,
"formula_full": "Rb1 Be1 O3",
"formula_reduced": "RbBeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5524113199999996,
"spacegroup": 221
},
{
"id": "jvasp-103134",
"created_at": "2022-09-04T14:36:36.523069Z",
"updated_at": "2022-09-04T14:36:36.523088Z",
"structure_string": "Na2 B2 C2\n1.0\n2.813400 0.000000 -0.000000\n-1.406700 2.436476 0.000000\n0.000000 0.000000 8.344050\nNa B C\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.333334 0.666668 0.750000 B\n0.666667 0.333334 0.250000 B\n0.333334 0.666668 0.250000 C\n0.666667 0.333334 0.750000 C\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"B",
"C"
],
"chemical_system": "B-C-Na",
"density": 2.6600070959722255,
"density_atomic": 0.10490126650711545,
"volume": 57.196640229248516,
"volume_molar": 5.74077030766022,
"formula_full": "Na2 B2 C2",
"formula_reduced": "NaBC",
"formula_anonymous": "ABC",
"energy_above_hull": 2.857110527777777,
"spacegroup": 194
},
{
"id": "jvasp-37055",
"created_at": "2022-09-04T14:37:59.798800Z",
"updated_at": "2022-09-04T14:37:59.798824Z",
"structure_string": "Ti2 Al1 Fe1\n1.0\n3.058014 3.058014 -0.000000\n3.058014 0.000000 -3.058014\n-0.000000 3.058014 -3.058014\nTi Al Fe\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Al\n0.499999 0.499999 0.499999 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Ti",
"density": 5.184252920793723,
"density_atomic": 0.06993773894284164,
"volume": 57.193727742172214,
"volume_molar": 8.610716976311952,
"formula_full": "Ti2 Al1 Fe1",
"formula_reduced": "Ti2AlFe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.1277012416666663,
"spacegroup": 216
},
{
"id": "jvasp-68031",
"created_at": "2022-09-04T14:35:47.188133Z",
"updated_at": "2022-09-04T14:35:47.188159Z",
"structure_string": "Be1 Co1 Ge2\n1.0\n2.790721 0.000000 0.000000\n0.000000 2.790721 -0.000000\n0.000000 -0.000000 7.343610\nBe Co Ge\n1 1 2\ndirect\n0.000000 0.000000 0.560344 Be\n0.500000 0.500000 0.696279 Co\n0.000000 0.000000 0.917740 Ge\n0.500000 0.500000 0.325636 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Ge"
],
"chemical_system": "Be-Co-Ge",
"density": 6.190782453401071,
"density_atomic": 0.0699386984538959,
"volume": 57.192943083389366,
"volume_molar": 8.61059884317098,
"formula_full": "Be1 Co1 Ge2",
"formula_reduced": "BeCoGe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7037497249999998,
"spacegroup": 99
},
{
"id": "jvasp-36764",
"created_at": "2022-09-04T14:37:55.386744Z",
"updated_at": "2022-09-04T14:37:55.386777Z",
"structure_string": "Cu1 Hg1 O2\n1.0\n0.000000 -3.002100 0.000000\n2.979042 -1.501050 -1.770571\n2.963166 -1.501050 4.633769\nCu Hg O\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Hg\n0.934640 0.912436 0.718284 O\n0.065360 0.087564 0.281716 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"Hg",
"O"
],
"chemical_system": "Cu-Hg-O",
"density": 8.598104491049083,
"density_atomic": 0.06993976463715774,
"volume": 57.192071216591884,
"volume_molar": 8.61046758055652,
"formula_full": "Cu1 Hg1 O2",
"formula_reduced": "CuHgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5689230125,
"spacegroup": 12
}
]
}