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=-nelements&page=4559",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=4557",
"results": [
{
"id": "jvasp-98125",
"created_at": "2022-09-04T14:35:44.924687Z",
"updated_at": "2022-09-04T14:35:44.924700Z",
"structure_string": "Bi8 O12\n1.0\n5.527593 0.000000 0.000000\n-0.000000 8.238942 0.000000\n0.000000 0.000000 8.238942\nBi O\n8 12\ndirect\n0.219633 0.250984 0.514985 Bi\n0.780366 0.514985 0.749016 Bi\n0.219633 0.749016 0.485015 Bi\n0.219633 0.750984 0.985014 Bi\n0.219633 0.249016 0.014985 Bi\n0.780366 0.014985 0.750984 Bi\n0.780366 0.985014 0.249016 Bi\n0.780366 0.485015 0.250984 Bi\n0.000000 0.752072 0.252073 O\n0.500000 0.374283 0.125717 O\n0.500000 0.625717 0.874283 O\n0.500000 0.000000 0.000000 O\n0.000000 0.247927 0.747927 O\n0.500000 0.125717 0.625717 O\n0.000000 0.500000 0.000000 O\n0.000000 0.747927 0.752072 O\n0.000000 0.000000 0.500000 O\n0.000000 0.252073 0.247927 O\n0.500000 0.874283 0.374283 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 8.248554421006222,
"density_atomic": 0.05330292558678556,
"volume": 375.2139264370555,
"volume_molar": 11.297955400581168,
"formula_full": "Bi8 O12",
"formula_reduced": "Bi2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.70285382,
"spacegroup": 117
},
{
"id": "jvasp-2011",
"created_at": "2022-09-04T14:35:43.998138Z",
"updated_at": "2022-09-04T14:35:43.998164Z",
"structure_string": "K1 H1\n1.0\n3.443171 0.000000 1.987915\n1.147724 3.246253 1.987915\n0.000000 0.000000 3.975831\nK H\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500002 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"H"
],
"chemical_system": "H-K",
"density": 1.4986222434177299,
"density_atomic": 0.04500503711665502,
"volume": 44.43947007122587,
"volume_molar": 13.38103720343647,
"formula_full": "K1 H1",
"formula_reduced": "KH",
"formula_anonymous": "AB",
"energy_above_hull": 0.385194,
"spacegroup": 225
},
{
"id": "jvasp-91693",
"created_at": "2022-09-04T14:35:44.000962Z",
"updated_at": "2022-09-04T14:35:44.000993Z",
"structure_string": "Er4 Si4\n1.0\n0.000000 3.809998 0.000000\n0.000000 0.000000 5.638825\n7.832141 0.000000 0.000000\nEr Si\n4 4\ndirect\n0.250000 0.385122 0.679053 Er\n0.250000 0.114878 0.179053 Er\n0.750000 0.614878 0.320947 Er\n0.750000 0.885121 0.820947 Er\n0.250000 0.867040 0.539496 Si\n0.250000 0.632959 0.039496 Si\n0.750000 0.132959 0.460504 Si\n0.750000 0.367040 0.960504 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Er",
"Si"
],
"chemical_system": "Er-Si",
"density": 7.7111014199067505,
"density_atomic": 0.04754404468143416,
"volume": 168.2650277990333,
"volume_molar": 12.666446029888645,
"formula_full": "Er4 Si4",
"formula_reduced": "ErSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.0974392999999998,
"spacegroup": 62
},
{
"id": "jvasp-92454",
"created_at": "2022-09-04T14:35:46.111565Z",
"updated_at": "2022-09-04T14:35:46.111591Z",
"structure_string": "Co2 O4\n1.0\n-1.416135 2.443064 0.006397\n-1.258082 -2.386012 8.400564\n1.407561 2.447558 -0.044812\nCo O\n2 4\ndirect\n0.000358 0.003334 0.002774 Co\n0.000317 0.503331 0.502548 Co\n0.666958 0.392567 0.058269 O\n0.667002 0.892568 0.558489 O\n0.333699 0.114103 0.447080 O\n0.333666 0.614099 0.946843 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 5.2322805352009825,
"density_atomic": 0.10395525762855243,
"volume": 57.71713847739083,
"volume_molar": 5.793012202920996,
"formula_full": "Co2 O4",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0680893000000005,
"spacegroup": 164
},
{
"id": "jvasp-85870",
"created_at": "2022-09-04T14:35:43.475959Z",
"updated_at": "2022-09-04T14:35:43.475979Z",
"structure_string": "La1 Zn5\n1.0\n5.478040 -0.000000 0.000000\n-2.739020 4.744122 0.000000\n0.000000 -0.000000 4.261491\nLa Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 La\n-0.000000 0.500000 0.500000 Zn\n0.333333 0.666667 0.000000 Zn\n0.666667 0.333333 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Zn"
],
"chemical_system": "La-Zn",
"density": 6.986283869665322,
"density_atomic": 0.05417621087535083,
"volume": 110.7497165832594,
"volume_molar": 11.115839706574905,
"formula_full": "La1 Zn5",
"formula_reduced": "LaZn5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 191
},
{
"id": "jvasp-42551",
"created_at": "2022-09-04T14:35:43.446400Z",
"updated_at": "2022-09-04T14:35:43.446421Z",
"structure_string": "Ni6 O8\n1.0\n-2.900192 0.000830 -0.000984\n-0.001519 -4.995585 0.030871\n1.447131 0.294859 9.470904\nNi O\n6 8\ndirect\n0.000000 0.000000 0.000000 Ni\n0.374724 0.136276 0.749488 Ni\n0.742521 0.252748 0.485094 Ni\n0.500000 0.500000 0.000000 Ni\n0.257478 0.747250 0.514906 Ni\n0.625276 0.863723 0.250512 Ni\n0.192088 0.047325 0.384194 O\n0.553150 0.153221 0.106296 O\n0.941300 0.299042 0.882630 O\n0.299863 0.398162 0.599756 O\n0.700137 0.601837 0.400244 O\n0.058700 0.700957 0.117370 O\n0.446850 0.846778 0.893704 O\n0.807912 0.952674 0.615806 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 5.809855968364088,
"density_atomic": 0.10201459407839447,
"volume": 137.2352664486565,
"volume_molar": 5.903214941356533,
"formula_full": "Ni6 O8",
"formula_reduced": "Ni3O4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.9570301714285716,
"spacegroup": 12
},
{
"id": "jvasp-61664",
"created_at": "2022-09-04T14:35:46.112958Z",
"updated_at": "2022-09-04T14:35:46.112985Z",
"structure_string": "Dy8 Au4\n1.0\n4.914177 0.000000 0.000000\n0.000000 7.030022 0.000000\n0.000000 0.000000 8.920662\nDy Au\n8 4\ndirect\n0.250000 0.847916 0.081632 Dy\n0.750000 0.652083 0.581632 Dy\n0.750000 0.152083 0.918368 Dy\n0.250000 0.347917 0.418368 Dy\n0.250000 0.489110 0.822659 Dy\n0.750000 0.010890 0.322659 Dy\n0.750000 0.510890 0.177341 Dy\n0.250000 0.989110 0.677341 Dy\n0.250000 0.258772 0.097911 Au\n0.750000 0.241228 0.597911 Au\n0.750000 0.741228 0.902088 Au\n0.250000 0.758772 0.402089 Au\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Dy",
"Au"
],
"chemical_system": "Au-Dy",
"density": 11.249862474920434,
"density_atomic": 0.03893827271801301,
"volume": 308.1800799666378,
"volume_molar": 15.465865174892908,
"formula_full": "Dy8 Au4",
"formula_reduced": "Dy2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7344735233333334,
"spacegroup": 62
},
{
"id": "jvasp-228",
"created_at": "2022-09-04T14:35:41.828899Z",
"updated_at": "2022-09-04T14:35:41.828920Z",
"structure_string": "Mo2 S4\n1.0\n0.000000 5.553056 0.007297\n3.205943 0.000000 0.000000\n0.000000 -1.843849 -6.127820\nMo S\n2 4\ndirect\n0.500000 0.499999 -0.000000 Mo\n0.000000 0.000000 0.000000 Mo\n0.752817 0.000000 0.258308 S\n0.747184 0.499999 0.741691 S\n0.252816 0.499999 0.258309 S\n0.247184 0.000000 0.741691 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"S"
],
"chemical_system": "Mo-S",
"density": 4.874913798596454,
"density_atomic": 0.05502108533421523,
"volume": 109.04910296760104,
"volume_molar": 10.945150797043787,
"formula_full": "Mo2 S4",
"formula_reduced": "MoS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.6621086333333324,
"spacegroup": 166
},
{
"id": "jvasp-85799",
"created_at": "2022-09-04T14:35:42.465876Z",
"updated_at": "2022-09-04T14:35:42.465908Z",
"structure_string": "H8 I8\n1.0\n-4.276842 5.789572 3.949337\n4.515817 -5.789572 4.891845\n4.276842 5.789572 -3.949337\nH I\n8 8\ndirect\n0.244755 0.013165 0.562588 H\n0.549423 0.486834 0.731590 H\n0.755244 0.986835 0.437412 H\n0.450577 0.513165 0.268410 H\n0.557710 0.001796 0.763307 H\n0.761511 0.498204 0.055914 H\n0.442290 -0.001796 0.236693 H\n0.238488 0.501796 0.944086 H\n0.244809 0.017847 0.766753 I\n0.748906 0.482153 0.726963 I\n0.755190 0.982153 0.233247 I\n0.251093 0.517847 0.273037 I\n0.758071 0.998790 0.764801 I\n0.766010 0.501210 0.259281 I\n0.241928 0.001210 0.235200 I\n0.233989 0.498790 0.740719 I\n",
"nsites": 16,
"nelements": 2,
"elements": [
"H",
"I"
],
"chemical_system": "H-I",
"density": 3.7864732439629143,
"density_atomic": 0.03565357711108501,
"volume": 448.7628254003568,
"volume_molar": 16.890705640101576,
"formula_full": "H8 I8",
"formula_reduced": "HI",
"formula_anonymous": "AB",
"energy_above_hull": 0.7816781375,
"spacegroup": 15
},
{
"id": "jvasp-63839",
"created_at": "2022-09-04T14:35:44.961703Z",
"updated_at": "2022-09-04T14:35:44.961739Z",
"structure_string": "Ca2 Au2\n1.0\n1.972142 -5.519167 -0.000000\n1.972142 5.519167 0.000000\n0.000000 -0.000000 4.613118\nCa Au\n2 2\ndirect\n0.861550 0.138448 0.750000 Ca\n0.138448 0.861550 0.250000 Ca\n0.584981 0.415018 0.750000 Au\n0.415018 0.584981 0.250000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Au"
],
"chemical_system": "Au-Ca",
"density": 7.839219516482609,
"density_atomic": 0.03983122970694325,
"volume": 100.42371348888416,
"volume_molar": 15.119143456799277,
"formula_full": "Ca2 Au2",
"formula_reduced": "CaAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-86697",
"created_at": "2022-09-04T14:35:43.974457Z",
"updated_at": "2022-09-04T14:35:43.974482Z",
"structure_string": "Dy1 B6\n1.0\n4.089079 0.000000 0.000000\n-0.000000 4.089079 -0.000000\n0.000000 -0.000000 4.089079\nDy B\n1 6\ndirect\n0.000000 0.000000 0.000000 Dy\n0.198614 0.500000 0.500000 B\n0.500000 0.801386 0.500000 B\n0.500000 0.198614 0.500000 B\n0.801386 0.500000 0.500000 B\n0.500000 0.500000 0.198614 B\n0.500000 0.500000 0.801386 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Dy",
"B"
],
"chemical_system": "B-Dy",
"density": 5.522021784098972,
"density_atomic": 0.10238151145107731,
"volume": 68.37171966683583,
"volume_molar": 5.8820588548135095,
"formula_full": "Dy1 B6",
"formula_reduced": "DyB6",
"formula_anonymous": "AB6",
"energy_above_hull": 4.548491714285714,
"spacegroup": 221
},
{
"id": "jvasp-105739",
"created_at": "2022-09-04T14:35:41.828866Z",
"updated_at": "2022-09-04T14:35:41.828884Z",
"structure_string": "Dy2 Mg6\n1.0\n6.649028 0.000000 -0.000000\n-3.324514 5.758228 0.000000\n0.000000 0.000000 5.164128\nDy Mg\n2 6\ndirect\n0.666667 0.333333 0.250000 Dy\n0.333334 0.666667 0.750000 Dy\n0.164072 0.328144 0.250000 Mg\n0.164072 0.835929 0.250000 Mg\n0.671857 0.835929 0.250000 Mg\n0.328144 0.164071 0.750000 Mg\n0.835929 0.164071 0.750000 Mg\n0.835929 0.671857 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Dy",
"Mg"
],
"chemical_system": "Dy-Mg",
"density": 3.9542962913485495,
"density_atomic": 0.04046187181186639,
"volume": 197.71700224836889,
"volume_molar": 14.883495227311425,
"formula_full": "Dy2 Mg6",
"formula_reduced": "DyMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0013325,
"spacegroup": 194
}
]
}