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=4621",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4619",
"results": [
{
"id": "jvasp-64170",
"created_at": "2022-09-04T14:36:14.337606Z",
"updated_at": "2022-09-04T14:36:14.337631Z",
"structure_string": "Ba4 Hg1 Se1\n1.0\n0.000000 4.964706 4.964706\n4.964706 0.000000 4.964706\n4.964706 4.964706 -0.000000\nBa Hg Se\n4 1 1\ndirect\n0.121351 0.626217 0.626217 Ba\n0.626217 0.626217 0.626217 Ba\n0.626217 0.121351 0.626217 Ba\n0.626217 0.626217 0.121351 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Se"
],
"chemical_system": "Ba-Hg-Se",
"density": 5.623654469378252,
"density_atomic": 0.02451549395329656,
"volume": 244.74318206397754,
"volume_molar": 24.56463154065967,
"formula_full": "Ba4 Hg1 Se1",
"formula_reduced": "Ba4HgSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-67813",
"created_at": "2022-09-04T14:36:11.554511Z",
"updated_at": "2022-09-04T14:36:11.554526Z",
"structure_string": "Mg2 Be1 Hg1\n1.0\n3.541777 -0.000000 0.000000\n0.000000 3.541777 0.000000\n-0.000000 -0.000000 5.823986\nMg Be Hg\n2 1 1\ndirect\n0.000000 0.000000 0.987355 Mg\n0.500000 0.500000 0.276942 Mg\n0.000000 0.000000 0.492391 Be\n0.500000 0.500000 0.743313 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Hg"
],
"chemical_system": "Be-Hg-Mg",
"density": 5.868986034904386,
"density_atomic": 0.05475165386717899,
"volume": 73.05715384787325,
"volume_molar": 10.999011599921708,
"formula_full": "Mg2 Be1 Hg1",
"formula_reduced": "Mg2BeHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-86788",
"created_at": "2022-09-04T14:36:16.433991Z",
"updated_at": "2022-09-04T14:36:16.434016Z",
"structure_string": "Ba5 Ga5 Sn1\n1.0\n6.053782 0.000000 -0.000000\n-3.026891 5.242729 0.000000\n0.000000 0.000000 10.864982\nBa Ga Sn\n5 5 1\ndirect\n0.000000 0.000000 0.669366 Ba\n0.666667 0.333333 0.796946 Ba\n0.666667 0.333333 0.203054 Ba\n0.333333 0.666667 0.000000 Ba\n0.000000 0.000000 0.330633 Ba\n0.515881 0.484119 0.500000 Ga\n0.968237 0.484119 0.500000 Ga\n0.515881 0.031763 0.500000 Ga\n0.333333 0.666667 0.674905 Ga\n0.333333 0.666667 0.325095 Ga\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Sn"
],
"chemical_system": "Ba-Ga-Sn",
"density": 5.556824160910508,
"density_atomic": 0.03189917762821071,
"volume": 344.8364759808703,
"volume_molar": 18.87867088671964,
"formula_full": "Ba5 Ga5 Sn1",
"formula_reduced": "Ba5Ga5Sn",
"formula_anonymous": "AB5C5",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-99475",
"created_at": "2022-09-04T14:36:08.255898Z",
"updated_at": "2022-09-04T14:36:08.255910Z",
"structure_string": "Rb2 Ag1 As1 F6\n1.0\n5.454604 -0.000000 3.149217\n1.818201 5.142650 3.149217\n-0.000000 -0.000000 6.298434\nRb Ag As F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.768190 0.231810 0.231810 F\n0.231809 0.231810 0.768190 F\n0.231809 0.768191 0.768191 F\n0.231809 0.768191 0.231810 F\n0.768190 0.231810 0.768191 F\n0.768190 0.768191 0.231810 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ag",
"As",
"F"
],
"chemical_system": "Ag-As-F-Rb",
"density": 4.3959058166920135,
"density_atomic": 0.05660010313581132,
"volume": 176.6781232890179,
"volume_molar": 10.639805276590998,
"formula_full": "Rb2 Ag1 As1 F6",
"formula_reduced": "Rb2AgAsF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-69114",
"created_at": "2022-09-04T14:36:14.291596Z",
"updated_at": "2022-09-04T14:36:14.291622Z",
"structure_string": "Ba2 Cd1 Te1\n1.0\n0.000000 4.211088 4.211088\n4.211088 0.000000 4.211088\n4.211088 4.211088 0.000000\nBa Cd Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Te"
],
"chemical_system": "Ba-Cd-Te",
"density": 5.722170387206138,
"density_atomic": 0.026782249064045627,
"volume": 149.35265482874928,
"volume_molar": 22.485567756460544,
"formula_full": "Ba2 Cd1 Te1",
"formula_reduced": "Ba2CdTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-66565",
"created_at": "2022-09-04T14:36:22.172984Z",
"updated_at": "2022-09-04T14:36:22.173007Z",
"structure_string": "Ba1 Na1 Cl1\n1.0\n0.000000 4.005112 4.005112\n4.005112 -0.000000 4.005112\n4.005112 4.005112 0.000000\nBa Na Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Cl"
],
"chemical_system": "Ba-Cl-Na",
"density": 2.5300012447891405,
"density_atomic": 0.02334786981727907,
"volume": 128.49137944823508,
"volume_molar": 25.793105782794765,
"formula_full": "Ba1 Na1 Cl1",
"formula_reduced": "BaNaCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-92673",
"created_at": "2022-09-04T14:36:08.133966Z",
"updated_at": "2022-09-04T14:36:08.133993Z",
"structure_string": "Ba1 Cd2 Ge2\n1.0\n4.731910 0.000000 0.000000\n0.000000 4.731910 0.000000\n-2.365955 -2.365955 5.769909\nBa Cd Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.749999 0.500000 Cd\n0.749999 0.250000 0.500000 Cd\n0.612252 0.612252 0.224505 Ge\n0.387747 0.387747 0.775495 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Ge"
],
"chemical_system": "Ba-Cd-Ge",
"density": 6.522025101271141,
"density_atomic": 0.03870152594124617,
"volume": 129.1938722930624,
"volume_molar": 15.560473685565718,
"formula_full": "Ba1 Cd2 Ge2",
"formula_reduced": "Ba(CdGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-1924",
"created_at": "2022-09-04T14:36:22.253174Z",
"updated_at": "2022-09-04T14:36:22.253191Z",
"structure_string": "In2 Br2\n1.0\n4.235648 0.000000 -1.572407\n0.000000 4.667289 0.000000\n0.046385 0.000000 6.616010\nIn Br\n2 2\ndirect\n0.607980 0.250000 0.215960 In\n0.392021 0.750000 0.784040 In\n0.852708 0.250000 0.705412 Br\n0.147294 0.750000 0.294588 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Br"
],
"chemical_system": "Br-In",
"density": 4.931562381025693,
"density_atomic": 0.0305035515612213,
"volume": 131.13227133476283,
"volume_molar": 19.742424903911374,
"formula_full": "In2 Br2",
"formula_reduced": "InBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-71116",
"created_at": "2022-09-04T14:36:08.121378Z",
"updated_at": "2022-09-04T14:36:08.121402Z",
"structure_string": "Be1 Zn2 Bi1\n1.0\n3.295914 -0.000000 -0.000000\n-0.000000 3.295914 -0.000000\n0.000000 0.000000 6.912429\nBe Zn Bi\n1 2 1\ndirect\n0.000000 -0.000000 0.410290 Be\n0.000000 -0.000000 0.064824 Zn\n0.499999 0.499999 0.288348 Zn\n0.499999 0.499999 0.736540 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Bi"
],
"chemical_system": "Be-Bi-Zn",
"density": 7.713585955710277,
"density_atomic": 0.05326937060149091,
"volume": 75.09005559543907,
"volume_molar": 11.305072111798992,
"formula_full": "Be1 Zn2 Bi1",
"formula_reduced": "BeZn2Bi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-65653",
"created_at": "2022-09-04T14:36:22.443872Z",
"updated_at": "2022-09-04T14:36:22.443897Z",
"structure_string": "K1 Ba1 Cu2\n1.0\n4.010681 -0.000000 -0.000000\n-0.000000 4.010681 0.000000\n-0.000000 0.000000 7.783365\nK Ba Cu\n1 1 2\ndirect\n0.500000 0.500000 -0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.000000 -0.000000 0.713545 Cu\n0.000000 -0.000000 0.286454 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Cu"
],
"chemical_system": "Ba-Cu-K",
"density": 4.025584148720032,
"density_atomic": 0.03194893258894244,
"volume": 125.19980092807245,
"volume_molar": 18.849270607820774,
"formula_full": "K1 Ba1 Cu2",
"formula_reduced": "KBaCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-95767",
"created_at": "2022-09-04T14:36:08.068693Z",
"updated_at": "2022-09-04T14:36:08.068723Z",
"structure_string": "Eu4 F12\n1.0\n4.395155 -0.000000 0.000000\n-0.000000 6.592861 0.000000\n0.000000 0.000000 7.002029\nEu F\n4 12\ndirect\n0.934575 0.631280 0.750000 Eu\n0.434575 0.868720 0.250000 Eu\n0.565424 0.131280 0.750000 Eu\n0.065424 0.368720 0.250000 Eu\n0.388918 0.165580 0.436122 F\n0.888918 0.334420 0.563878 F\n0.111081 0.665580 0.063878 F\n0.611080 0.834420 0.936122 F\n0.578820 0.519553 0.250000 F\n0.078820 0.980447 0.750000 F\n0.921178 0.019553 0.250000 F\n0.421179 0.480447 0.750000 F\n0.388918 0.165580 0.063878 F\n0.888918 0.334420 0.936122 F\n0.111081 0.665580 0.436122 F\n0.611080 0.834420 0.563878 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Eu",
"F"
],
"chemical_system": "Eu-F",
"density": 6.840669139227921,
"density_atomic": 0.07885840024397728,
"volume": 202.8953155338956,
"volume_molar": 7.636650935560837,
"formula_full": "Eu4 F12",
"formula_reduced": "EuF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-89295",
"created_at": "2022-09-04T14:36:17.807390Z",
"updated_at": "2022-09-04T14:36:17.807412Z",
"structure_string": "Ca4 Ga4 Ge4\n1.0\n4.234726 -0.000000 -0.000000\n-2.117362 3.667380 0.000000\n0.000000 0.000000 17.280556\nCa Ga Ge\n4 4 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.250000 Ca\n0.000000 0.000000 0.750000 Ca\n0.333334 0.666667 0.154358 Ga\n0.666668 0.333333 0.654358 Ga\n0.666668 0.333333 0.845643 Ga\n0.333334 0.666667 0.345643 Ga\n0.333334 0.666667 0.609428 Ge\n0.666668 0.333333 0.109428 Ge\n0.666668 0.333333 0.390572 Ge\n0.333334 0.666667 0.890572 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Ge"
],
"chemical_system": "Ca-Ga-Ge",
"density": 4.515362205030043,
"density_atomic": 0.044713874826062,
"volume": 268.3730731608539,
"volume_molar": 13.468170189737002,
"formula_full": "Ca4 Ga4 Ge4",
"formula_reduced": "CaGaGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
}
]
}