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=600",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=598",
"results": [
{
"id": "jvasp-89320",
"created_at": "2022-09-04T14:36:00.612274Z",
"updated_at": "2022-09-04T14:36:00.612300Z",
"structure_string": "Cd1 Hg1 Se4 C4 N4\n1.0\n4.201857 0.001945 1.150782\n2.104255 8.342248 0.576433\n-0.098552 0.001100 8.621562\nCd Hg Se C N\n1 1 4 4 4\ndirect\n0.750145 0.499890 0.499744 Cd\n-0.000040 -0.000000 0.000049 Hg\n0.466089 0.007490 0.719127 Se\n0.816252 0.718865 0.992819 Se\n0.526563 0.281075 0.007494 Se\n0.190702 0.992791 0.281324 Se\n0.227061 0.184647 0.643139 C\n0.130642 0.643182 0.815338 C\n0.588313 0.356891 0.184632 C\n0.053986 0.815346 0.356867 C\n0.074761 0.300424 0.593333 N\n0.332260 0.593507 0.699353 N\n0.624824 0.406525 0.300415 N\n0.968458 0.699365 0.406357 N\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Cd",
"Hg",
"Se",
"C",
"N"
],
"chemical_system": "C-Cd-Hg-N-Se",
"density": 4.014976447310407,
"density_atomic": 0.046186062326020565,
"volume": 303.1217491800032,
"volume_molar": 13.038870292709955,
"formula_full": "Cd1 Hg1 Se4 C4 N4",
"formula_reduced": "CdHgC4(SeN)4",
"formula_anonymous": "ABC4D4E4",
"energy_above_hull": 4.147023629761905,
"spacegroup": 82
},
{
"id": "jvasp-96740",
"created_at": "2022-09-04T14:36:00.613556Z",
"updated_at": "2022-09-04T14:36:00.613583Z",
"structure_string": "La6 F18\n1.0\n7.194447 0.000000 0.000000\n-3.597223 6.230574 0.000000\n-0.000000 0.000000 7.162527\nLa F\n6 18\ndirect\n0.326304 0.326304 0.000000 La\n0.326304 0.000000 0.500000 La\n0.673696 0.000000 0.000000 La\n0.000000 0.673695 0.000000 La\n0.673696 0.673695 0.500000 La\n0.000000 0.326304 0.500000 La\n0.343602 0.343606 0.334043 F\n0.656394 -0.000005 0.334043 F\n0.000005 0.656398 0.334043 F\n-0.000005 0.343601 0.834043 F\n0.656399 0.000005 0.665958 F\n0.656399 0.656393 0.834043 F\n0.000000 0.000000 0.750000 F\n0.000005 0.343606 0.165958 F\n-0.000005 0.656393 0.665958 F\n0.343606 0.343601 0.665958 F\n0.343601 -0.000005 0.165958 F\n0.333334 0.666666 -0.000008 F\n0.666667 0.333333 0.499993 F\n0.666667 0.333333 0.000008 F\n0.333334 0.666666 0.500008 F\n0.000000 0.000000 0.250000 F\n0.656394 0.656398 0.165958 F\n0.343606 0.000005 0.834043 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"La",
"F"
],
"chemical_system": "F-La",
"density": 6.079173555380588,
"density_atomic": 0.07475142800397527,
"volume": 321.0641005911443,
"volume_molar": 8.056221694761126,
"formula_full": "La6 F18",
"formula_reduced": "LaF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0393049999999999,
"spacegroup": 193
},
{
"id": "jvasp-67977",
"created_at": "2022-09-04T14:36:00.616702Z",
"updated_at": "2022-09-04T14:36:00.616733Z",
"structure_string": "Be1 Fe1 Hg2\n1.0\n3.020054 0.000000 0.000000\n0.000000 3.020054 0.000000\n0.000000 0.000000 7.110775\nBe Fe Hg\n1 1 2\ndirect\n0.000000 0.000000 0.575969 Be\n0.499999 0.499999 0.679852 Fe\n0.000000 0.000000 0.948297 Hg\n0.499999 0.499999 0.295885 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Hg"
],
"chemical_system": "Be-Fe-Hg",
"density": 11.932276577812283,
"density_atomic": 0.061675636141555065,
"volume": 64.85543158110903,
"volume_molar": 9.764213450799698,
"formula_full": "Be1 Fe1 Hg2",
"formula_reduced": "BeFeHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5913926999999999,
"spacegroup": 99
},
{
"id": "jvasp-67521",
"created_at": "2022-09-04T14:36:00.617604Z",
"updated_at": "2022-09-04T14:36:00.617640Z",
"structure_string": "Li1 Be2 Ir1\n1.0\n2.935361 0.000000 0.000000\n-0.000000 2.935361 0.000000\n0.000000 -0.000000 5.057807\nLi Be Ir\n1 2 1\ndirect\n0.500000 0.500000 0.750249 Li\n0.000000 0.000000 0.016388 Be\n0.500000 0.500000 0.263387 Be\n0.000000 0.000000 0.469978 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Ir"
],
"chemical_system": "Be-Ir-Li",
"density": 8.27538791497203,
"density_atomic": 0.09178563114781563,
"volume": 43.57980601079295,
"volume_molar": 6.56109315226223,
"formula_full": "Li1 Be2 Ir1",
"formula_reduced": "LiBe2Ir",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.211198325,
"spacegroup": 99
},
{
"id": "jvasp-3735",
"created_at": "2022-09-04T14:36:00.620146Z",
"updated_at": "2022-09-04T14:36:00.620174Z",
"structure_string": "Ca2 H2 Br2\n1.0\n3.840811 0.000000 0.000000\n0.000000 3.840811 0.000000\n0.000000 0.000000 7.911968\nCa H Br\n2 2 2\ndirect\n0.000000 0.500000 0.163853 Ca\n0.500000 0.000000 0.836147 Ca\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.669844 Br\n0.500000 0.000000 0.330156 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"H",
"Br"
],
"chemical_system": "Br-Ca-H",
"density": 3.442690323510123,
"density_atomic": 0.05140683364691122,
"volume": 116.71600007911614,
"volume_molar": 11.714669690343475,
"formula_full": "Ca2 H2 Br2",
"formula_reduced": "CaHBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1173715083333336,
"spacegroup": 129
},
{
"id": "jvasp-66464",
"created_at": "2022-09-04T14:36:00.626944Z",
"updated_at": "2022-09-04T14:36:00.626971Z",
"structure_string": "Ba4 Os1 Se1\n1.0\n0.000000 4.720895 4.720895\n4.720895 0.000000 4.720895\n4.720895 4.720895 0.000000\nBa Os Se\n4 1 1\ndirect\n0.126256 0.624581 0.624581 Ba\n0.624581 0.624581 0.624581 Ba\n0.624581 0.126256 0.624581 Ba\n0.624581 0.624581 0.126256 Ba\n0.250000 0.250000 0.250000 Os\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Os",
"Se"
],
"chemical_system": "Ba-Os-Se",
"density": 6.458976447125083,
"density_atomic": 0.028513349093256576,
"volume": 210.42775369446179,
"volume_molar": 21.12042587597765,
"formula_full": "Ba4 Os1 Se1",
"formula_reduced": "Ba4OsSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3007303744444445,
"spacegroup": 216
},
{
"id": "jvasp-68825",
"created_at": "2022-09-04T14:36:00.627015Z",
"updated_at": "2022-09-04T14:36:00.627042Z",
"structure_string": "Be2 Fe1 Ru1\n1.0\n2.789923 0.000000 0.000000\n-0.000000 2.789923 0.000000\n-0.000000 -0.000000 5.267230\nBe Fe Ru\n2 1 1\ndirect\n0.000000 0.000000 0.750555 Be\n0.000000 0.000000 0.249445 Be\n0.499999 0.499999 0.000000 Fe\n0.499999 0.499999 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Ru"
],
"chemical_system": "Be-Fe-Ru",
"density": 7.085490557129545,
"density_atomic": 0.09756482595519377,
"volume": 40.9983819561876,
"volume_molar": 6.172450676810147,
"formula_full": "Be2 Fe1 Ru1",
"formula_reduced": "Be2FeRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.86534955,
"spacegroup": 123
},
{
"id": "jvasp-105805",
"created_at": "2022-09-04T14:36:00.629216Z",
"updated_at": "2022-09-04T14:36:00.629246Z",
"structure_string": "Lu1 Te1\n1.0\n4.005999 -0.000000 0.000000\n-2.002998 3.469296 -0.000000\n-0.000000 -0.000000 3.982408\nLu Te\n1 1\ndirect\n0.333333 0.666668 0.500000 Lu\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Lu",
"Te"
],
"chemical_system": "Lu-Te",
"density": 9.077634930721631,
"density_atomic": 0.03613533223358145,
"volume": 55.34749167578846,
"volume_molar": 16.66551927922632,
"formula_full": "Lu1 Te1",
"formula_reduced": "LuTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.1745917583333334,
"spacegroup": 187
},
{
"id": "jvasp-47992",
"created_at": "2022-09-04T14:36:00.632907Z",
"updated_at": "2022-09-04T14:36:00.632933Z",
"structure_string": "Li4 Mn6 F16\n1.0\n0.000000 5.771163 0.076847\n8.570735 0.000000 0.000000\n0.000000 -4.824092 -7.917797\nLi Mn F\n4 6 16\ndirect\n0.876307 0.299224 0.815960 Li\n0.123693 0.799224 0.684040 Li\n0.876306 0.200775 0.315960 Li\n0.123693 0.700775 0.184040 Li\n0.493315 0.643728 0.608060 Mn\n0.500000 0.500000 -0.000000 Mn\n0.506685 0.143728 0.891940 Mn\n0.506685 0.356272 0.391940 Mn\n0.500000 0.000000 0.500000 Mn\n0.493314 0.856272 0.108060 Mn\n0.713308 0.057804 0.141133 F\n0.754548 0.347059 0.963569 F\n0.240808 0.201783 0.397829 F\n0.245452 0.847059 0.536431 F\n0.336452 0.608843 0.756633 F\n0.759191 0.701783 0.102170 F\n0.286692 0.942195 0.858867 F\n0.245451 0.652941 0.036431 F\n0.663547 0.391157 0.243367 F\n0.754548 0.152941 0.463569 F\n0.759192 0.798217 0.602171 F\n0.286691 0.557804 0.358867 F\n0.713308 0.442196 0.641133 F\n0.336452 0.891156 0.256633 F\n0.240808 0.298217 0.897829 F\n0.663548 0.108843 0.743367 F\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 2.827114590007561,
"density_atomic": 0.06693069338253978,
"volume": 388.4615366435547,
"volume_molar": 8.997577128897634,
"formula_full": "Li4 Mn6 F16",
"formula_reduced": "Li2Mn3F8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.0240541526259948,
"spacegroup": 14
},
{
"id": "jvasp-48708",
"created_at": "2022-09-04T14:36:00.632996Z",
"updated_at": "2022-09-04T14:36:00.633021Z",
"structure_string": "Na4 Co2 O6\n1.0\n4.901338 2.946023 -0.409003\n-4.901338 2.946023 0.409003\n-1.627384 0.000000 5.908909\nNa Co O\n4 2 6\ndirect\n0.352287 0.647712 0.282619 Na\n0.000000 -0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.647712 0.352287 0.717381 Na\n0.336672 0.663327 0.763123 Co\n0.663327 0.336672 0.236878 Co\n0.204922 0.795077 0.881961 O\n0.640985 0.808906 0.685197 O\n0.191093 0.359014 0.685197 O\n0.808906 0.640984 0.314803 O\n0.359015 0.191093 0.314803 O\n0.795077 0.204922 0.118039 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 3.045980675142068,
"density_atomic": 0.07197650537037673,
"volume": 166.72107013601726,
"volume_molar": 8.366814600141069,
"formula_full": "Na4 Co2 O6",
"formula_reduced": "Na2CoO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4659882333333334,
"spacegroup": 12
},
{
"id": "jvasp-91721",
"created_at": "2022-09-04T14:36:00.634134Z",
"updated_at": "2022-09-04T14:36:00.634152Z",
"structure_string": "Si2 Br6\n1.0\n-3.130079 -5.699971 1.032294\n-3.130079 5.699971 1.032294\n-0.030710 0.000000 -7.461298\nSi Br\n2 6\ndirect\n0.450920 0.450920 0.334870 Si\n0.549081 0.549081 0.665131 Si\n0.746292 0.746292 0.250907 Br\n0.253709 0.253709 0.749094 Br\n0.099224 0.419735 0.229070 Br\n0.419735 0.099224 0.229070 Br\n0.900776 0.580265 0.770932 Br\n0.580265 0.900776 0.770932 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Br"
],
"chemical_system": "Br-Si",
"density": 3.3359855883685605,
"density_atomic": 0.030007412008595285,
"volume": 266.6007984196868,
"volume_molar": 20.068844185146745,
"formula_full": "Si2 Br6",
"formula_reduced": "SiBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5387677287499999,
"spacegroup": 12
},
{
"id": "jvasp-87109",
"created_at": "2022-09-04T14:36:00.636815Z",
"updated_at": "2022-09-04T14:36:00.636840Z",
"structure_string": "K6 C2 O6 F2\n1.0\n6.227805 -0.050600 2.882511\n1.821798 5.955601 2.882511\n-0.068978 -0.050600 6.862192\nK C O F\n6 2 6 2\ndirect\n0.250000 0.818692 0.681308 K\n0.818692 0.681308 0.249999 K\n0.681309 0.250000 0.818691 K\n0.750000 0.181308 0.318691 K\n0.181308 0.318692 0.750000 K\n0.318692 0.750000 0.181308 K\n0.750000 0.750000 0.749999 C\n0.250000 0.250000 0.250000 C\n0.250000 0.425372 0.074628 O\n0.425372 0.074628 0.250000 O\n0.074628 0.250000 0.425371 O\n0.750000 0.574628 0.925371 O\n0.925372 0.750000 0.574628 O\n0.574629 0.925372 0.749999 O\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"C",
"O",
"F"
],
"chemical_system": "C-F-K-O",
"density": 2.536807272742111,
"density_atomic": 0.06225915036586451,
"volume": 256.99033645618925,
"volume_molar": 9.672699875618319,
"formula_full": "K6 C2 O6 F2",
"formula_reduced": "K3CO3F",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 1.2346780978125005,
"spacegroup": 167
}
]
}