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=4189",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4187",
"results": [
{
"id": "jvasp-104667",
"created_at": "2022-09-04T14:37:09.909534Z",
"updated_at": "2022-09-04T14:37:09.909561Z",
"structure_string": "Zn1 Cd1 O2\n1.0\n3.414917 -0.000000 0.000000\n-1.707458 2.957406 0.000000\n-0.000000 -0.000000 5.695410\nZn Cd O\n1 1 2\ndirect\n0.000000 0.000000 0.996210 Zn\n0.666667 0.333334 0.488628 Cd\n0.666667 0.333334 0.098663 O\n0.000000 0.000000 0.652500 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Cd",
"O"
],
"chemical_system": "Cd-O-Zn",
"density": 6.057276529144976,
"density_atomic": 0.06954147463117934,
"volume": 57.51963157546527,
"volume_molar": 8.65978294526981,
"formula_full": "Zn1 Cd1 O2",
"formula_reduced": "ZnCdO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0063117874999999,
"spacegroup": 156
},
{
"id": "jvasp-79330",
"created_at": "2022-09-04T14:37:19.078535Z",
"updated_at": "2022-09-04T14:37:19.078563Z",
"structure_string": "Li1 Ga3\n1.0\n4.078895 -0.000000 -0.000000\n0.000000 4.078895 -0.000000\n0.000000 -0.000000 4.078895\nLi Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500002 0.000000 0.500002 Ga\n0.000000 0.500002 0.500002 Ga\n0.500002 0.500002 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Ga"
],
"chemical_system": "Ga-Li",
"density": 5.288060115018933,
"density_atomic": 0.05894302414694536,
"volume": 67.86214412799677,
"volume_molar": 10.2168846053551,
"formula_full": "Li1 Ga3",
"formula_reduced": "LiGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0062974999999999,
"spacegroup": 221
},
{
"id": "jvasp-40308",
"created_at": "2022-09-04T14:37:47.760183Z",
"updated_at": "2022-09-04T14:37:47.760215Z",
"structure_string": "Li1 Ga3\n1.0\n4.078895 -0.000000 -0.000000\n-0.000000 4.078895 -0.000000\n-0.000000 -0.000000 4.078895\nLi Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.000000 0.500001 Ga\n0.000000 0.500001 0.500001 Ga\n0.500001 0.500001 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Ga"
],
"chemical_system": "Ga-Li",
"density": 5.288060115018933,
"density_atomic": 0.05894302414694536,
"volume": 67.86214412799677,
"volume_molar": 10.2168846053551,
"formula_full": "Li1 Ga3",
"formula_reduced": "LiGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0062974999999999,
"spacegroup": 221
},
{
"id": "jvasp-110625",
"created_at": "2022-09-04T14:38:37.793366Z",
"updated_at": "2022-09-04T14:38:37.793387Z",
"structure_string": "Li1 Ga3\n1.0\n4.078895 0.000000 -0.000000\n0.000000 4.078895 0.000000\n0.000000 0.000000 4.078895\nLi Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.000000 0.500001 Ga\n0.000000 0.500001 0.500001 Ga\n0.500001 0.500001 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Ga"
],
"chemical_system": "Ga-Li",
"density": 5.288060115018933,
"density_atomic": 0.05894302414694536,
"volume": 67.86214412799677,
"volume_molar": 10.2168846053551,
"formula_full": "Li1 Ga3",
"formula_reduced": "LiGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0062974999999999,
"spacegroup": 221
},
{
"id": "jvasp-33805",
"created_at": "2022-09-04T14:38:07.822953Z",
"updated_at": "2022-09-04T14:38:07.822978Z",
"structure_string": "In2 Cl6\n1.0\n8.904165 -0.000200 -0.000409\n-4.452258 7.711784 0.000579\n-0.000157 0.000163 3.451565\nIn Cl\n2 6\ndirect\n0.666662 0.333325 0.250003 In\n0.333337 0.666673 0.749999 In\n0.791324 0.208682 0.749996 Cl\n0.417344 0.208673 0.750001 Cl\n0.791315 0.582624 0.750010 Cl\n0.208675 0.791316 0.250006 Cl\n0.582656 0.791325 0.250005 Cl\n0.208685 0.417374 0.249994 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"In",
"Cl"
],
"chemical_system": "Cl-In",
"density": 3.0992783139094864,
"density_atomic": 0.033754486709248015,
"volume": 237.0055296325442,
"volume_molar": 17.841008254319153,
"formula_full": "In2 Cl6",
"formula_reduced": "InCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0062970337499999,
"spacegroup": 194
},
{
"id": "jvasp-39149",
"created_at": "2022-09-04T14:37:57.884783Z",
"updated_at": "2022-09-04T14:37:57.884800Z",
"structure_string": "Hg3 Au1\n1.0\n4.490935 0.000000 0.000000\n-0.000000 4.490935 -0.000000\n-0.000000 0.000000 4.490935\nHg Au\n3 1\ndirect\n0.000000 0.500001 0.500001 Hg\n0.500001 0.000000 0.500001 Hg\n0.500001 0.500001 0.000000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Au"
],
"chemical_system": "Au-Hg",
"density": 14.643414573985122,
"density_atomic": 0.04416209660336641,
"volume": 90.57540985712816,
"volume_molar": 13.636446688857932,
"formula_full": "Hg3 Au1",
"formula_reduced": "Hg3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0062774999999999,
"spacegroup": 221
},
{
"id": "jvasp-57160",
"created_at": "2022-09-04T14:37:33.188031Z",
"updated_at": "2022-09-04T14:37:33.188046Z",
"structure_string": "Ni2 F6\n1.0\n4.249290 0.027713 2.917849\n1.550544 3.956394 2.917849\n0.040343 0.027713 5.154482\nNi F\n2 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.499999 0.500001 Ni\n0.610785 0.244077 0.898817 F\n0.898815 0.610784 0.244080 F\n0.244078 0.898814 0.610787 F\n0.389214 0.755921 0.101185 F\n0.101184 0.389214 0.755922 F\n0.755922 0.101183 0.389215 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ni",
"F"
],
"chemical_system": "F-Ni",
"density": 4.480370205681755,
"density_atomic": 0.09328980662189543,
"volume": 85.75427787543912,
"volume_molar": 6.455304151725601,
"formula_full": "Ni2 F6",
"formula_reduced": "NiF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.006205070625,
"spacegroup": 167
},
{
"id": "jvasp-36889",
"created_at": "2022-09-04T14:37:58.067886Z",
"updated_at": "2022-09-04T14:37:58.067904Z",
"structure_string": "Rb1 Sn1 F3\n1.0\n-4.531772 0.007315 0.150908\n-0.031399 -4.496361 -0.176785\n0.233723 0.792251 5.136389\nRb Sn F\n1 1 3\ndirect\n0.000406 0.035298 0.930678 Rb\n0.498328 0.461272 0.478827 Sn\n-0.000396 0.464121 0.564916 F\n0.505274 0.556981 0.890686 F\n0.496391 0.972327 0.574890 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"F"
],
"chemical_system": "F-Rb-Sn",
"density": 4.162770146881432,
"density_atomic": 0.0479926846635172,
"volume": 104.18254438266236,
"volume_molar": 12.5480389401468,
"formula_full": "Rb1 Sn1 F3",
"formula_reduced": "RbSnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0062019999999999,
"spacegroup": 6
},
{
"id": "jvasp-79510",
"created_at": "2022-09-04T14:37:17.241142Z",
"updated_at": "2022-09-04T14:37:17.241174Z",
"structure_string": "Ca4\n1.0\n0.000000 -0.000000 -3.855611\n0.000000 -6.355880 -0.000000\n-6.678535 0.000000 0.000000\nCa\n4\ndirect\n0.500178 0.750000 0.333408 Ca\n0.499822 0.250000 0.666591 Ca\n0.000178 0.250000 0.166592 Ca\n-0.000178 0.750000 0.833408 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.626541032810615,
"density_atomic": 0.024440488684281485,
"volume": 163.66284863086787,
"volume_molar": 24.64001779094149,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy_above_hull": 0.00617042,
"spacegroup": 194
},
{
"id": "jvasp-17900",
"created_at": "2022-09-04T14:36:51.915692Z",
"updated_at": "2022-09-04T14:36:51.915734Z",
"structure_string": "Mg1 Fe1 F6\n1.0\n4.379323 0.060615 2.871911\n1.582029 4.084033 2.871911\n0.087184 0.060614 5.236291\nMg Fe F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Mg\n0.000000 0.000000 0.000000 Fe\n0.368409 0.103286 0.766349 F\n0.103287 0.766347 0.368410 F\n0.233651 0.631589 0.896714 F\n0.896713 0.233650 0.631592 F\n0.631591 0.896711 0.233652 F\n0.766348 0.368408 0.103287 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"F"
],
"chemical_system": "F-Fe-Mg",
"density": 3.517251656133206,
"density_atomic": 0.08728273960128388,
"volume": 91.65615145153309,
"volume_molar": 6.899578069512633,
"formula_full": "Mg1 Fe1 F6",
"formula_reduced": "MgFeF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0061687853124999,
"spacegroup": 148
},
{
"id": "jvasp-52514",
"created_at": "2022-09-04T14:37:47.464667Z",
"updated_at": "2022-09-04T14:37:47.464698Z",
"structure_string": "Li1 Ag1 F2\n1.0\n2.967286 0.009305 -0.205483\n1.463707 2.580788 -0.205322\n-0.313704 -0.188836 6.259898\nLi Ag F\n1 1 2\ndirect\n0.500003 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Ag\n0.137808 0.137296 0.328258 F\n0.862197 0.862702 0.671743 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 5.327475450832192,
"density_atomic": 0.08398310466267915,
"volume": 47.62862740150092,
"volume_molar": 7.170657460435789,
"formula_full": "Li1 Ag1 F2",
"formula_reduced": "LiAgF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0061499999999999,
"spacegroup": 12
},
{
"id": "jvasp-52544",
"created_at": "2022-09-04T14:35:44.472641Z",
"updated_at": "2022-09-04T14:35:44.472675Z",
"structure_string": "Ba4 Y2 Br14\n1.0\n8.706621 4.279726 -0.477934\n-8.706621 4.279726 0.477934\n-6.415061 0.000000 8.799743\nBa Y Br\n4 2 14\ndirect\n0.306472 0.683647 0.721771 Ba\n0.316353 0.693528 0.221771 Ba\n0.683647 0.306472 0.778229 Ba\n0.693528 0.316353 0.278229 Ba\n0.963054 0.963054 0.750000 Y\n0.036947 0.036947 0.250000 Y\n0.927546 0.752694 0.063169 Br\n0.892754 0.641440 0.450771 Br\n0.399483 0.399483 0.250000 Br\n0.247307 0.072455 0.563169 Br\n0.641440 0.892754 0.049229 Br\n0.358561 0.107247 0.950770 Br\n0.107247 0.358561 0.549229 Br\n0.600518 0.600518 0.750000 Br\n0.688099 0.069408 0.652277 Br\n0.072455 0.247307 0.936831 Br\n0.311901 0.930593 0.347722 Br\n0.069408 0.688099 0.847722 Br\n0.752694 0.927546 0.436831 Br\n0.930593 0.311901 0.152278 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Br"
],
"chemical_system": "Ba-Br-Y",
"density": 4.868543783008239,
"density_atomic": 0.0317688178120782,
"volume": 629.548134850526,
"volume_molar": 18.956137416326648,
"formula_full": "Ba4 Y2 Br14",
"formula_reduced": "Ba2YBr7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.0061366125,
"spacegroup": 15
}
]
}