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=89",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=87",
"results": [
{
"id": "jvasp-3096",
"created_at": "2022-09-04T14:35:44.345948Z",
"updated_at": "2022-09-04T14:35:44.345984Z",
"structure_string": "Tl2 Sn1 F6\n1.0\n3.048547 -5.280239 0.000000\n3.048547 5.280239 0.000000\n0.000000 0.000000 4.796120\nTl Sn F\n2 1 6\ndirect\n0.666668 0.333333 0.696724 Tl\n0.333333 0.666668 0.303276 Tl\n0.000000 0.000000 0.000000 Sn\n0.841185 0.158816 0.230415 F\n0.317630 0.158815 0.230415 F\n0.841186 0.682371 0.230415 F\n0.158816 0.841185 0.769585 F\n0.682371 0.841186 0.769585 F\n0.158815 0.317630 0.769585 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"F"
],
"chemical_system": "F-Sn-Tl",
"density": 6.89853572645395,
"density_atomic": 0.05828757638060049,
"volume": 154.406831761758,
"volume_molar": 10.331774168610504,
"formula_full": "Tl2 Sn1 F6",
"formula_reduced": "Tl2SnF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-1798",
"created_at": "2022-09-04T14:36:15.165392Z",
"updated_at": "2022-09-04T14:36:15.165419Z",
"structure_string": "K1 Na2 Sb1\n1.0\n4.723226 -0.000000 2.726956\n1.574409 4.453101 2.726956\n0.000000 0.000000 5.453912\nK Na Sb\n1 2 1\ndirect\n0.500001 0.500000 0.500000 K\n0.250000 0.250000 0.250000 Na\n0.750001 0.750000 0.750001 Na\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Na",
"Sb"
],
"chemical_system": "K-Na-Sb",
"density": 2.994123363572002,
"density_atomic": 0.03486989127327572,
"volume": 114.71214431533372,
"volume_molar": 17.270316998709333,
"formula_full": "K1 Na2 Sb1",
"formula_reduced": "KNa2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-95060",
"created_at": "2022-09-04T14:35:45.576969Z",
"updated_at": "2022-09-04T14:35:45.576985Z",
"structure_string": "Tb1 Cu4 Au1\n1.0\n-3.571506 -3.571506 -0.000000\n-3.571506 0.000000 -3.571506\n0.000000 -3.571506 -3.571506\nTb Cu Au\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.872434 0.375856 0.375856 Cu\n0.375856 0.872434 0.375856 Cu\n0.375856 0.375856 0.872434 Cu\n0.375856 0.375856 0.375856 Cu\n0.750001 0.750001 0.750001 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Cu",
"Au"
],
"chemical_system": "Au-Cu-Tb",
"density": 11.118567383174533,
"density_atomic": 0.06585171691147608,
"volume": 91.11379750456243,
"volume_molar": 9.145001895843528,
"formula_full": "Tb1 Cu4 Au1",
"formula_reduced": "TbCu4Au",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-94083",
"created_at": "2022-09-04T14:35:49.230096Z",
"updated_at": "2022-09-04T14:35:49.230117Z",
"structure_string": "Ba1 Mg6 V1\n1.0\n6.604689 0.000411 0.000000\n-3.301988 5.720033 0.000000\n0.000000 0.000000 5.161138\nBa Mg V\n1 6 1\ndirect\n0.416670 0.083330 0.750000 Ba\n0.062425 0.906123 0.250000 Mg\n0.593876 0.437574 0.250000 Mg\n0.593840 0.906159 0.250000 Mg\n0.387371 0.568696 0.750000 Mg\n0.931303 0.112628 0.750000 Mg\n0.931246 0.568753 0.750000 Mg\n0.083265 0.416735 0.250000 V\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"V"
],
"chemical_system": "Ba-Mg-V",
"density": 2.845192428316712,
"density_atomic": 0.041027779049665036,
"volume": 194.98983823413454,
"volume_molar": 14.67820315769485,
"formula_full": "Ba1 Mg6 V1",
"formula_reduced": "BaMg6V",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-94364",
"created_at": "2022-09-04T14:36:11.485977Z",
"updated_at": "2022-09-04T14:36:11.486003Z",
"structure_string": "Sr5 Mg1\n1.0\n7.023165 0.000000 0.000000\n-3.511584 6.082239 -0.000000\n-0.000000 0.000000 6.549334\nSr Mg\n5 1\ndirect\n0.681052 -0.000000 0.000000 Sr\n0.000000 0.681051 0.000000 Sr\n0.318949 0.318949 0.000000 Sr\n0.333334 0.666667 0.500000 Sr\n0.666668 0.333333 0.500000 Sr\n0.000000 0.000000 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.7445941078261846,
"density_atomic": 0.021446565740562154,
"volume": 279.765071600817,
"volume_molar": 28.07974401519331,
"formula_full": "Sr5 Mg1",
"formula_reduced": "Sr5Mg",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-70396",
"created_at": "2022-09-04T14:35:56.571262Z",
"updated_at": "2022-09-04T14:35:56.571287Z",
"structure_string": "K2 Ca2 Be1\n1.0\n-2.376390 2.376390 10.792089\n2.376390 -2.376390 10.792089\n2.376390 2.376390 -10.792089\nK Ca Be\n2 2 1\ndirect\n0.584700 0.584700 0.000000 K\n0.415300 0.415300 0.000000 K\n0.750000 0.250000 0.500000 Ca\n0.250000 0.750000 0.500000 Ca\n0.000000 0.000000 0.000000 Be\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Ca",
"Be"
],
"chemical_system": "Be-Ca-K",
"density": 1.1400193733645927,
"density_atomic": 0.020510160667795367,
"volume": 243.78161053857062,
"volume_molar": 29.361743467255437,
"formula_full": "K2 Ca2 Be1",
"formula_reduced": "K2Ca2Be",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-63220",
"created_at": "2022-09-04T14:36:16.143263Z",
"updated_at": "2022-09-04T14:36:16.143283Z",
"structure_string": "Yb1 Cu4 Au1\n1.0\n0.000000 3.535313 3.535313\n3.535313 0.000000 3.535313\n3.535313 3.535313 -0.000000\nYb Cu Au\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.624788 0.125635 0.624788 Cu\n0.125635 0.624788 0.624788 Cu\n0.624788 0.624788 0.624788 Cu\n0.624788 0.624788 0.125635 Cu\n0.250000 0.250000 0.250000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Cu",
"Au"
],
"chemical_system": "Au-Cu-Yb",
"density": 11.728776043276316,
"density_atomic": 0.06789497676585517,
"volume": 88.37178073853381,
"volume_molar": 8.86978838032179,
"formula_full": "Yb1 Cu4 Au1",
"formula_reduced": "YbCu4Au",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-72160",
"created_at": "2022-09-04T14:36:01.721345Z",
"updated_at": "2022-09-04T14:36:01.721368Z",
"structure_string": "Be1 Hg2 Te1\n1.0\n-1.973463 1.973463 6.639721\n1.973463 -1.973463 6.639721\n1.973463 1.973463 -6.639721\nBe Hg Te\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 Hg\n0.250000 0.749999 0.499999 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Te"
],
"chemical_system": "Be-Hg-Te",
"density": 8.633676727083301,
"density_atomic": 0.03867160459747962,
"volume": 103.43506667578762,
"volume_molar": 15.572513276039459,
"formula_full": "Be1 Hg2 Te1",
"formula_reduced": "BeHg2Te",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-88222",
"created_at": "2022-09-04T14:36:16.184413Z",
"updated_at": "2022-09-04T14:36:16.184437Z",
"structure_string": "Rb8 Zn4 Cl16\n1.0\n7.138152 0.000000 0.000000\n0.000000 9.295348 0.000000\n0.000000 0.000000 12.560125\nRb Zn Cl\n8 4 16\ndirect\n0.750000 0.371958 0.588301 Rb\n0.750000 0.521405 0.173124 Rb\n0.750000 0.021405 0.326876 Rb\n0.750000 0.871958 0.911700 Rb\n0.250000 0.628042 0.411700 Rb\n0.250000 0.478595 0.826876 Rb\n0.250000 0.978595 0.673124 Rb\n0.250000 0.128042 0.088301 Rb\n0.750000 0.773246 0.576856 Zn\n0.250000 0.726754 0.076856 Zn\n0.250000 0.226754 0.423145 Zn\n0.750000 0.273246 0.923145 Zn\n0.007226 0.673883 0.654046 Cl\n0.750000 0.686338 0.406193 Cl\n0.992773 0.826117 0.154045 Cl\n0.492773 0.173883 0.845955 Cl\n0.507226 0.326117 0.345955 Cl\n0.750000 0.016685 0.592919 Cl\n0.492773 0.673883 0.654046 Cl\n0.507226 0.826117 0.154045 Cl\n0.007226 0.173883 0.845955 Cl\n0.750000 0.186338 0.093807 Cl\n0.250000 0.813663 0.906193 Cl\n0.250000 0.313662 0.593808 Cl\n0.750000 0.516685 0.907082 Cl\n0.250000 0.983315 0.407081 Cl\n0.250000 0.483315 0.092919 Cl\n0.992773 0.326117 0.345955 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Zn",
"Cl"
],
"chemical_system": "Cl-Rb-Zn",
"density": 3.013945304013257,
"density_atomic": 0.03359793802088038,
"volume": 833.3844768270784,
"volume_molar": 17.924137952327232,
"formula_full": "Rb8 Zn4 Cl16",
"formula_reduced": "Rb2ZnCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-3627",
"created_at": "2022-09-04T14:36:04.141297Z",
"updated_at": "2022-09-04T14:36:04.141325Z",
"structure_string": "Nd2 Cl6\n1.0\n3.699152 -6.407120 0.000000\n3.699152 6.407120 0.000000\n0.000000 0.000000 4.273038\nNd Cl\n2 6\ndirect\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n0.299952 0.385297 0.250000 Cl\n0.385297 0.085344 0.750000 Cl\n0.700047 0.614703 0.750000 Cl\n0.614703 0.914656 0.250000 Cl\n0.085344 0.700047 0.250000 Cl\n0.914656 0.299952 0.750000 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"Cl"
],
"chemical_system": "Cl-Nd",
"density": 4.108942908646518,
"density_atomic": 0.039496462630595044,
"volume": 202.54978464332095,
"volume_molar": 15.247291425372065,
"formula_full": "Nd2 Cl6",
"formula_reduced": "NdCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 176
},
{
"id": "jvasp-97801",
"created_at": "2022-09-04T14:35:46.104116Z",
"updated_at": "2022-09-04T14:35:46.104138Z",
"structure_string": "Yb4 In2 Cu4\n1.0\n3.717943 -0.000000 0.000000\n0.000000 7.429306 0.000000\n-0.000000 -0.000000 7.429306\nYb In Cu\n4 2 4\ndirect\n0.500000 0.177105 0.677106 Yb\n0.500000 0.322895 0.177105 Yb\n0.500000 0.677106 0.822895 Yb\n0.500000 0.822895 0.322895 Yb\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.381983 0.881984 Cu\n0.000000 0.118017 0.381983 Cu\n0.000000 0.881984 0.618017 Cu\n0.000000 0.618017 0.118017 Cu\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"In",
"Cu"
],
"chemical_system": "Cu-In-Yb",
"density": 9.515898757665687,
"density_atomic": 0.04873049014130823,
"volume": 205.2103307601071,
"volume_molar": 12.358054972435228,
"formula_full": "Yb4 In2 Cu4",
"formula_reduced": "Yb2InCu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-23372",
"created_at": "2022-09-04T14:37:35.824314Z",
"updated_at": "2022-09-04T14:37:35.824335Z",
"structure_string": "Ca2 In8 Pd2\n1.0\n4.377666 0.000000 -1.174476\n0.000000 7.606844 -0.000000\n-0.005424 -0.000000 8.725537\nCa In Pd\n2 8 2\ndirect\n0.870550 0.250000 0.741098 Ca\n0.129452 0.750000 0.258902 Ca\n0.682140 0.047332 0.364278 In\n0.317861 0.952668 0.635723 In\n0.317861 0.547331 0.635723 In\n0.682140 0.452668 0.364278 In\n0.063110 0.250000 0.126219 In\n0.936892 0.750000 0.873781 In\n0.500000 0.000000 -0.000000 In\n0.500000 0.500000 -0.000000 In\n0.224992 0.250000 0.449982 Pd\n0.775010 0.750000 0.550019 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"In",
"Pd"
],
"chemical_system": "Ca-In-Pd",
"density": 6.925003419603155,
"density_atomic": 0.04130611820071314,
"volume": 290.5138638709658,
"volume_molar": 14.57929484135362,
"formula_full": "Ca2 In8 Pd2",
"formula_reduced": "CaIn4Pd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 63
}
]
}