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=398",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=396",
"results": [
{
"id": "jvasp-20263",
"created_at": "2022-09-04T14:37:38.010172Z",
"updated_at": "2022-09-04T14:37:38.010195Z",
"structure_string": "Ca1 Ga4\n1.0\n4.099330 -0.000000 -1.535867\n-0.575432 4.058741 -1.535867\n-0.025922 -0.029857 6.169436\nCa Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Ga\n0.250001 0.749999 0.500000 Ga\n0.384822 0.384821 0.769642 Ga\n0.615179 0.615178 0.230357 Ga\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ca",
"Ga"
],
"chemical_system": "Ca-Ga",
"density": 5.1789631115041175,
"density_atomic": 0.048889307551028986,
"volume": 102.27185146325034,
"volume_molar": 12.31790970595011,
"formula_full": "Ca1 Ga4",
"formula_reduced": "CaGa4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.000142,
"spacegroup": 139
},
{
"id": "jvasp-14874",
"created_at": "2022-09-04T14:35:49.701541Z",
"updated_at": "2022-09-04T14:35:49.701571Z",
"structure_string": "Ti2 F6\n1.0\n4.798701 -0.036033 2.832925\n1.600059 4.524228 2.832925\n-0.051371 -0.036033 5.572285\nTi F\n2 6\ndirect\n0.500000 0.500001 0.499998 Ti\n0.000000 0.000000 0.000000 Ti\n0.253221 0.750001 0.246777 F\n0.750000 0.246780 0.253220 F\n0.753221 0.746780 0.249998 F\n0.250000 0.753222 0.746777 F\n0.746779 0.250001 0.753219 F\n0.246779 0.253222 0.749999 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"F"
],
"chemical_system": "F-Ti",
"density": 2.8478295964230753,
"density_atomic": 0.06541929933195088,
"volume": 122.28807220032067,
"volume_molar": 9.205449800742175,
"formula_full": "Ti2 F6",
"formula_reduced": "TiF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0001424999999999,
"spacegroup": 221
},
{
"id": "jvasp-76931",
"created_at": "2022-09-04T14:38:08.124353Z",
"updated_at": "2022-09-04T14:38:08.124390Z",
"structure_string": "Li1 Zn1 Hg2\n1.0\n-9.451577 -0.000000 -5.456870\n-6.278404 0.117978 -0.039227\n-5.298942 2.888313 -1.735705\nLi Zn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 -0.000000 Zn\n0.756047 0.000000 -0.000000 Hg\n0.243953 0.000000 -0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Hg"
],
"chemical_system": "Hg-Li-Zn",
"density": 8.156115581702606,
"density_atomic": 0.04149031833659219,
"volume": 96.40803349711152,
"volume_molar": 14.514568702860016,
"formula_full": "Li1 Zn1 Hg2",
"formula_reduced": "LiZnHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0001424999999999,
"spacegroup": 71
},
{
"id": "jvasp-29675",
"created_at": "2022-09-04T14:37:05.632587Z",
"updated_at": "2022-09-04T14:37:05.632609Z",
"structure_string": "Cd8 I16\n1.0\n4.286956 -0.000000 -0.000000\n-2.143478 3.712612 0.000000\n-0.000000 -0.000000 55.019413\nCd I\n8 16\ndirect\n0.000000 0.000000 0.156346 Cd\n0.333333 0.666667 0.281312 Cd\n0.333333 0.666667 0.031358 Cd\n0.000000 0.000000 0.781282 Cd\n0.000000 0.000000 0.656341 Cd\n0.000000 0.000000 0.406301 Cd\n0.333333 0.666667 0.906399 Cd\n0.666667 0.333333 0.531303 Cd\n0.333333 0.666667 0.499781 I\n0.000000 0.000000 0.874886 I\n0.333333 0.666667 0.124848 I\n0.333333 0.666667 0.374798 I\n0.000000 0.000000 -0.000143 I\n0.666667 0.333333 0.937911 I\n0.666667 0.333333 0.312834 I\n0.666667 0.333333 0.437809 I\n0.000000 0.000000 0.562809 I\n0.666667 0.333333 0.812810 I\n0.000000 0.000000 0.249815 I\n0.333333 0.666667 0.749780 I\n0.666667 0.333333 0.187868 I\n0.333333 0.666667 0.624820 I\n0.666667 0.333333 0.687847 I\n0.666667 0.333333 0.062883 I\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.555671120324338,
"density_atomic": 0.02740732810541837,
"volume": 875.6782094076237,
"volume_molar": 21.972739322989447,
"formula_full": "Cd8 I16",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001433333333333,
"spacegroup": 156
},
{
"id": "jvasp-78512",
"created_at": "2022-09-04T14:37:12.734141Z",
"updated_at": "2022-09-04T14:37:12.734165Z",
"structure_string": "Yb1 Hg2\n1.0\n0.000270 0.000155 -3.454706\n-2.474409 -4.285286 0.000437\n-2.473963 4.285029 -0.000000\nYb Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499910 0.333300 0.666650 Hg\n0.500090 0.666700 0.333350 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Yb",
"Hg"
],
"chemical_system": "Hg-Yb",
"density": 13.016289323700544,
"density_atomic": 0.0409525581696728,
"volume": 73.25549694772509,
"volume_molar": 14.705163802098363,
"formula_full": "Yb1 Hg2",
"formula_reduced": "YbHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001433333333333,
"spacegroup": 191
},
{
"id": "jvasp-29681",
"created_at": "2022-09-04T14:37:56.834774Z",
"updated_at": "2022-09-04T14:37:56.834791Z",
"structure_string": "Cd10 I20\n1.0\n4.287139 -0.000000 0.000000\n-2.143570 3.712772 -0.000000\n0.000000 -0.000000 68.779699\nCd I\n10 20\ndirect\n0.333333 0.666667 0.325016 Cd\n0.333333 0.666667 0.225025 Cd\n0.333333 0.666667 0.724990 Cd\n0.333333 0.666667 0.424968 Cd\n0.000000 0.000000 0.124986 Cd\n0.000000 0.000000 0.624984 Cd\n0.000000 0.000000 0.525010 Cd\n0.000000 0.000000 0.824993 Cd\n0.000000 0.000000 0.924982 Cd\n0.333333 0.666667 0.024979 Cd\n0.666667 0.333333 0.050199 I\n0.666667 0.333333 0.250235 I\n0.000000 0.000000 0.699797 I\n0.000000 0.000000 -0.000213 I\n0.333333 0.666667 0.899787 I\n0.666667 0.333333 0.850205 I\n0.333333 0.666667 0.099792 I\n0.666667 0.333333 0.150207 I\n0.666667 0.333333 0.950201 I\n0.666667 0.333333 0.650205 I\n0.000000 0.000000 0.199824 I\n0.666667 0.333333 0.350224 I\n0.000000 0.000000 0.299815 I\n0.333333 0.666667 0.599790 I\n0.666667 0.333333 0.550222 I\n0.333333 0.666667 0.799795 I\n0.666667 0.333333 0.450189 I\n0.000000 0.000000 0.399775 I\n0.666667 0.333333 0.750209 I\n0.333333 0.666667 0.499809 I\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.554755771410451,
"density_atomic": 0.027402812491108146,
"volume": 1094.7781367235427,
"volume_molar": 21.976360134398995,
"formula_full": "Cd10 I20",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001433333333333,
"spacegroup": 156
},
{
"id": "jvasp-95145",
"created_at": "2022-09-04T14:36:31.553091Z",
"updated_at": "2022-09-04T14:36:31.553114Z",
"structure_string": "Cd10 I20\n1.0\n4.286487 0.000000 -0.000000\n-2.143244 3.712207 0.000000\n-0.000000 -0.000000 68.783737\nCd I\n10 20\ndirect\n0.666668 0.333333 0.524992 Cd\n0.000000 0.000000 0.124988 Cd\n0.000000 0.000000 0.324988 Cd\n0.666668 0.333333 0.024994 Cd\n0.000000 0.000000 0.924979 Cd\n0.000000 0.000000 0.624983 Cd\n0.000000 0.000000 0.825001 Cd\n0.666668 0.333333 0.724991 Cd\n0.666668 0.333333 0.224988 Cd\n0.666668 0.333333 0.425008 Cd\n0.666668 0.333333 0.599789 I\n0.666668 0.333333 0.799800 I\n0.333334 0.666668 0.650208 I\n0.333334 0.666668 0.850218 I\n0.000000 0.000000 0.699797 I\n0.000000 0.000000 -0.000202 I\n0.333334 0.666668 0.250214 I\n0.333334 0.666668 0.150212 I\n0.333334 0.666668 0.550216 I\n0.666668 0.333333 0.899781 I\n0.333334 0.666668 0.050218 I\n0.000000 0.000000 0.399807 I\n0.333334 0.666668 0.350213 I\n0.333334 0.666668 0.750216 I\n0.666668 0.333333 0.099793 I\n0.333334 0.666668 0.950204 I\n0.333334 0.666668 0.450225 I\n0.000000 0.000000 0.199794 I\n0.666668 0.333333 0.299792 I\n0.000000 0.000000 0.499795 I\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.556120052868759,
"density_atomic": 0.027409542786826908,
"volume": 1094.509318645697,
"volume_molar": 21.970963933386933,
"formula_full": "Cd10 I20",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001466666666666,
"spacegroup": 156
},
{
"id": "jvasp-29527",
"created_at": "2022-09-04T14:37:50.646619Z",
"updated_at": "2022-09-04T14:37:50.646639Z",
"structure_string": "Pb3 I6\n1.0\n4.585485 -0.000000 -0.000000\n-2.292742 3.971146 -0.000000\n-0.000000 -0.000000 21.147016\nPb I\n3 6\ndirect\n0.666667 0.333333 0.666613 Pb\n0.000000 0.000000 0.333094 Pb\n0.000000 0.000000 0.000272 Pb\n0.333333 0.666668 0.422738 I\n0.333333 0.666668 0.089963 I\n0.000000 0.000000 0.576974 I\n0.666667 0.333333 0.910636 I\n0.666667 0.333333 0.243428 I\n0.333333 0.666668 0.756283 I\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Pb",
"I"
],
"chemical_system": "I-Pb",
"density": 5.963887936522761,
"density_atomic": 0.02337180661378341,
"volume": 385.0793457572207,
"volume_molar": 25.766689154652134,
"formula_full": "Pb3 I6",
"formula_reduced": "PbI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001466666666666,
"spacegroup": 156
},
{
"id": "jvasp-86468",
"created_at": "2022-09-04T14:36:02.651269Z",
"updated_at": "2022-09-04T14:36:02.651295Z",
"structure_string": "Cu1 Sn1 F6\n1.0\n5.059826 0.059100 0.008583\n2.470901 3.723763 2.371251\n-0.006209 -0.081060 5.525189\nCu Sn F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.500000 Sn\n0.749973 0.852165 0.251904 F\n0.250027 0.147834 0.748096 F\n0.601909 0.502977 0.747667 F\n0.398092 0.497022 0.252333 F\n0.104872 0.144843 0.252416 F\n0.895128 0.855156 0.747584 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Sn",
"F"
],
"chemical_system": "Cu-F-Sn",
"density": 4.717985545489566,
"density_atomic": 0.07672632302561788,
"volume": 104.26669341796698,
"volume_molar": 7.848858804284533,
"formula_full": "Cu1 Sn1 F6",
"formula_reduced": "CuSnF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.00014875,
"spacegroup": 148
},
{
"id": "jvasp-15518",
"created_at": "2022-09-04T14:36:45.497007Z",
"updated_at": "2022-09-04T14:36:45.497027Z",
"structure_string": "Yb2 Cu2 Ge2\n1.0\n2.147378 -3.719369 0.000000\n2.147378 3.719369 0.000000\n0.000000 0.000000 6.959777\nYb Cu Ge\n2 2 2\ndirect\n0.000000 0.000000 0.504337 Yb\n0.000000 0.000000 0.004337 Yb\n0.333333 0.666668 0.754172 Cu\n0.666668 0.333333 0.254171 Cu\n0.666668 0.333333 0.754392 Ge\n0.333333 0.666668 0.254392 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-Yb",
"density": 9.237448053784806,
"density_atomic": 0.05396947132094755,
"volume": 111.17396285613006,
"volume_molar": 11.158420886110449,
"formula_full": "Yb2 Cu2 Ge2",
"formula_reduced": "YbCuGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0001499999999999,
"spacegroup": 194
},
{
"id": "jvasp-29935",
"created_at": "2022-09-04T14:38:12.068345Z",
"updated_at": "2022-09-04T14:38:12.068371Z",
"structure_string": "Cd9 I18\n1.0\n4.287344 -0.000000 -0.000000\n-2.143672 3.712949 -0.000000\n-0.000000 -0.000000 61.889402\nCd I\n9 18\ndirect\n0.333333 0.666667 0.916665 Cd\n0.333333 0.666667 0.583321 Cd\n0.000000 0.000000 0.138907 Cd\n0.333333 0.666667 0.694440 Cd\n0.333333 0.666667 0.250003 Cd\n0.333333 0.666667 0.027771 Cd\n0.333333 0.666667 0.805572 Cd\n0.333333 0.666667 0.361096 Cd\n0.333333 0.666667 0.472233 Cd\n0.666667 0.333333 0.055796 I\n-0.000000 -0.000000 -0.000231 I\n0.000000 0.000000 0.333088 I\n0.666667 0.333333 0.944677 I\n0.666667 0.333333 0.389110 I\n0.000000 0.000000 0.555314 I\n0.333333 0.666667 0.110908 I\n0.666667 0.333333 0.611333 I\n0.000000 0.000000 0.444223 I\n0.666667 0.333333 0.833584 I\n0.000000 0.000000 0.666432 I\n0.666667 0.333333 0.500245 I\n0.000000 0.000000 0.777562 I\n0.666667 0.333333 0.722454 I\n0.666667 0.333333 0.278014 I\n0.000000 0.000000 0.221998 I\n0.666667 0.333333 0.166928 I\n0.000000 0.000000 0.888656 I\n",
"nsites": 27,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.5553316696336195,
"density_atomic": 0.027405653521690384,
"volume": 985.1981810479606,
"volume_molar": 21.97408193617327,
"formula_full": "Cd9 I18",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001533333333333,
"spacegroup": 156
},
{
"id": "jvasp-29603",
"created_at": "2022-09-04T14:38:28.337533Z",
"updated_at": "2022-09-04T14:38:28.337548Z",
"structure_string": "Cd8 I16\n1.0\n4.287276 -0.000000 -0.000000\n-2.143638 3.712890 0.000000\n-0.000000 -0.000000 55.008032\nCd I\n8 16\ndirect\n0.666667 0.333333 0.906255 Cd\n0.666667 0.333333 0.781253 Cd\n0.000000 0.000000 0.281204 Cd\n0.666667 0.333333 0.531257 Cd\n0.666667 0.333333 0.406261 Cd\n0.000000 0.000000 0.156265 Cd\n0.666667 0.333333 0.031219 Cd\n0.666667 0.333333 0.656257 Cd\n0.000000 0.000000 0.874745 I\n0.000000 0.000000 0.749740 I\n0.333333 0.666667 0.937770 I\n0.333333 0.666667 0.312732 I\n0.000000 0.000000 0.624747 I\n0.333333 0.666667 0.187778 I\n0.333333 0.666667 0.437778 I\n0.666667 0.333333 0.124756 I\n0.333333 0.666667 0.062751 I\n0.000000 0.000000 0.374749 I\n0.333333 0.666667 0.687772 I\n0.333333 0.666667 0.562777 I\n-0.000000 -0.000000 -0.000286 I\n0.333333 0.666667 0.812772 I\n0.666667 0.333333 0.249704 I\n0.000000 0.000000 0.499745 I\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.555989782267704,
"density_atomic": 0.027408900133756155,
"volume": 875.6279851755951,
"volume_molar": 21.971479083844276,
"formula_full": "Cd8 I16",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001533333333333,
"spacegroup": 156
}
]
}