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=density_atomic&page=157",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=155",
"results": [
{
"id": "jvasp-114050",
"created_at": "2022-09-04T14:38:49.783076Z",
"updated_at": "2022-09-04T14:38:49.783106Z",
"structure_string": "Ba1 Sb1 I2\n1.0\n4.773580 0.000000 -0.000000\n0.000000 4.773580 -0.000000\n-0.000000 0.000000 7.120501\nBa Sb I\n1 1 2\ndirect\n0.500000 0.500000 0.638011 Ba\n0.000000 0.000000 0.829941 Sb\n0.000000 0.000000 0.419852 I\n0.500000 0.500000 0.122196 I\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"I"
],
"chemical_system": "Ba-I-Sb",
"density": 5.249034127837828,
"density_atomic": 0.024652503494418086,
"volume": 162.25532635684223,
"volume_molar": 24.428110359516047,
"formula_full": "Ba1 Sb1 I2",
"formula_reduced": "BaSbI2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0024025,
"spacegroup": 99
},
{
"id": "jvasp-63950",
"created_at": "2022-09-04T14:36:11.285487Z",
"updated_at": "2022-09-04T14:36:11.285511Z",
"structure_string": "Ba4 Mn1 Ge1\n1.0\n-0.000000 4.955285 4.955285\n4.955285 -0.000000 4.955285\n4.955285 4.955285 0.000000\nBa Mn Ge\n4 1 1\ndirect\n0.127444 0.624186 0.624186 Ba\n0.624186 0.624186 0.624186 Ba\n0.624186 0.127444 0.624186 Ba\n0.624186 0.624186 0.127444 Ba\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Ge"
],
"chemical_system": "Ba-Ge-Mn",
"density": 4.618795662072383,
"density_atomic": 0.02465558671249271,
"volume": 243.35255412761552,
"volume_molar": 24.425055587700328,
"formula_full": "Ba4 Mn1 Ge1",
"formula_reduced": "Ba4MnGe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8702445118965516,
"spacegroup": 216
},
{
"id": "jvasp-4249",
"created_at": "2022-09-04T14:38:06.877999Z",
"updated_at": "2022-09-04T14:38:06.878029Z",
"structure_string": "Ga4 I12\n1.0\n0.000000 9.606395 -0.072405\n6.000259 0.000000 0.000000\n0.000000 -3.659689 -11.223707\nGa I\n4 12\ndirect\n0.699372 0.001336 0.049244 Ga\n0.300629 0.501336 0.450756 Ga\n0.300629 0.998664 0.950757 Ga\n0.699372 0.498664 0.549244 Ga\n0.834008 0.743911 0.215026 I\n0.165992 0.243911 0.284975 I\n0.165992 0.256090 0.784975 I\n0.834009 0.756090 0.715026 I\n0.832910 0.258828 0.948968 I\n0.167091 0.758828 0.551033 I\n0.167091 0.741172 0.051033 I\n0.832910 0.241172 0.448968 I\n0.500644 0.765717 0.879060 I\n0.499357 0.265717 0.620941 I\n0.499357 0.234283 0.120941 I\n0.500644 0.734283 0.379060 I\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ga",
"I"
],
"chemical_system": "Ga-I",
"density": 4.61327979029229,
"density_atomic": 0.024671025392467055,
"volume": 648.5340493745903,
"volume_molar": 24.409770831166078,
"formula_full": "Ga4 I12",
"formula_reduced": "GaI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0017525,
"spacegroup": 14
},
{
"id": "jvasp-107056",
"created_at": "2022-09-04T14:36:48.036829Z",
"updated_at": "2022-09-04T14:36:48.036848Z",
"structure_string": "K3 I2 Br1\n1.0\n4.855589 0.000000 0.000000\n-2.427795 4.205064 0.000000\n-0.000000 -0.000000 11.910712\nK I Br\n3 2 1\ndirect\n0.000000 0.000000 0.500000 K\n0.333334 0.666666 0.150770 K\n0.666667 0.333333 0.849230 K\n0.333334 0.666666 0.674648 I\n0.666667 0.333333 0.325351 I\n0.000000 0.000000 0.000000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"I",
"Br"
],
"chemical_system": "Br-I-K",
"density": 3.079505161835479,
"density_atomic": 0.024671695590207914,
"volume": 243.1936620676113,
"volume_molar": 24.409107748517137,
"formula_full": "K3 I2 Br1",
"formula_reduced": "K3I2Br",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-66060",
"created_at": "2022-09-04T14:35:56.930806Z",
"updated_at": "2022-09-04T14:35:56.930834Z",
"structure_string": "Ba1 Y1 Pb1\n1.0\n-0.000000 3.931776 3.931776\n3.931776 -0.000000 3.931776\n3.931776 3.931776 -0.000000\nBa Y Pb\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Pb"
],
"chemical_system": "Ba-Pb-Y",
"density": 5.920721365034762,
"density_atomic": 0.02467885219588254,
"volume": 121.56156924107373,
"volume_molar": 24.402029365874416,
"formula_full": "Ba1 Y1 Pb1",
"formula_reduced": "BaYPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9834707466666666,
"spacegroup": 216
},
{
"id": "jvasp-64048",
"created_at": "2022-09-04T14:35:54.564478Z",
"updated_at": "2022-09-04T14:35:54.564495Z",
"structure_string": "Ba4 Fe1 Cl1\n1.0\n0.000000 4.953491 4.953491\n4.953491 -0.000000 4.953491\n4.953491 4.953491 -0.000000\nBa Fe Cl\n4 1 1\ndirect\n0.123829 0.625390 0.625390 Ba\n0.625390 0.625390 0.625390 Ba\n0.625390 0.123829 0.625390 Ba\n0.625390 0.625390 0.123829 Ba\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Cl"
],
"chemical_system": "Ba-Cl-Fe",
"density": 4.375986454734893,
"density_atomic": 0.02468238486998922,
"volume": 243.08834140639587,
"volume_molar": 24.39853681773754,
"formula_full": "Ba4 Fe1 Cl1",
"formula_reduced": "Ba4FeCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5918339079166666,
"spacegroup": 216
},
{
"id": "jvasp-32764",
"created_at": "2022-09-04T14:37:31.915667Z",
"updated_at": "2022-09-04T14:37:31.915676Z",
"structure_string": "Hf4 I16\n1.0\n7.943328 -0.001393 -2.627623\n-0.875246 7.894961 -2.627623\n-0.011670 -0.013033 12.929741\nHf I\n4 16\ndirect\n0.217614 0.938334 0.624785 Hf\n0.938334 0.217615 0.124785 Hf\n0.782386 0.061666 0.375215 Hf\n0.061666 0.782386 0.875215 Hf\n0.420396 0.687210 0.615427 I\n0.820559 0.052694 0.879651 I\n0.687210 0.420396 0.115427 I\n0.312790 0.579604 0.884574 I\n0.435048 0.186098 0.635204 I\n0.813902 0.564953 0.864796 I\n0.052693 0.820559 0.379651 I\n0.291887 0.056826 0.870279 I\n0.947307 0.179442 0.620350 I\n0.564952 0.813902 0.364796 I\n0.186098 0.435048 0.135204 I\n0.056825 0.291887 0.370279 I\n0.708113 0.943175 0.129721 I\n0.179441 0.947307 0.120349 I\n0.579604 0.312790 0.384574 I\n0.943175 0.708114 0.629721 I\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Hf",
"I"
],
"chemical_system": "Hf-I",
"density": 5.624179493655321,
"density_atomic": 0.02468241625646573,
"volume": 810.2934409738293,
"volume_molar": 24.39850579224576,
"formula_full": "Hf4 I16",
"formula_reduced": "HfI4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.7115536199999998,
"spacegroup": 15
},
{
"id": "jvasp-64019",
"created_at": "2022-09-04T14:35:58.765689Z",
"updated_at": "2022-09-04T14:35:58.765715Z",
"structure_string": "Ba4 Ti1 Be1\n1.0\n0.000000 4.953443 4.953443\n4.953443 0.000000 4.953443\n4.953443 4.953443 0.000000\nBa Ti Be\n4 1 1\ndirect\n0.125604 0.624798 0.624798 Ba\n0.624798 0.624798 0.624798 Ba\n0.624798 0.125604 0.624798 Ba\n0.624798 0.624798 0.125604 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Be\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Be"
],
"chemical_system": "Ba-Be-Ti",
"density": 4.140991519072684,
"density_atomic": 0.024683102410871998,
"volume": 243.08127479782365,
"volume_molar": 24.39782754921224,
"formula_full": "Ba4 Ti1 Be1",
"formula_reduced": "Ba4TiBe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.065118052222222,
"spacegroup": 216
},
{
"id": "jvasp-101046",
"created_at": "2022-09-04T14:36:44.287727Z",
"updated_at": "2022-09-04T14:36:44.287766Z",
"structure_string": "Tl2 Sn2 I6\n1.0\n7.787402 0.021587 0.000000\n-6.443383 4.373432 0.000000\n0.000000 -0.000000 11.847086\nTl Sn I\n2 2 6\ndirect\n0.249055 0.750945 0.250000 Tl\n0.750945 0.249055 0.750000 Tl\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.643480 0.356520 0.056557 I\n0.356520 0.643480 0.943443 I\n0.356520 0.643480 0.556557 I\n0.643480 0.356520 0.443443 I\n0.925375 0.074626 0.250000 I\n0.074626 0.925374 0.750000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"I"
],
"chemical_system": "I-Sn-Tl",
"density": 5.7694699170503325,
"density_atomic": 0.024683311106162655,
"volume": 405.1320326106213,
"volume_molar": 24.39762126766072,
"formula_full": "Tl2 Sn2 I6",
"formula_reduced": "TlSnI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-115161",
"created_at": "2022-09-04T14:38:45.087502Z",
"updated_at": "2022-09-04T14:38:45.087534Z",
"structure_string": "K2 Te2\n1.0\n4.815235 -0.000000 0.000000\n0.000000 4.815235 -0.000000\n-0.000000 0.000000 6.989022\nK Te\n2 2\ndirect\n0.000000 0.000000 0.306614 K\n0.500000 0.500000 0.693388 K\n0.000000 0.000000 0.822659 Te\n0.500000 0.500000 0.177339 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Te"
],
"chemical_system": "K-Te",
"density": 3.4163226663565336,
"density_atomic": 0.024683606234121587,
"volume": 162.05087547015586,
"volume_molar": 24.397329559062747,
"formula_full": "K2 Te2",
"formula_reduced": "KTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.2142969416666667,
"spacegroup": 129
},
{
"id": "jvasp-115523",
"created_at": "2022-09-04T14:38:46.078888Z",
"updated_at": "2022-09-04T14:38:46.078909Z",
"structure_string": "Ba1 Be1 Te1\n1.0\n0.000000 3.931481 3.931481\n3.931481 -0.000000 3.931481\n3.931481 3.931481 -0.000000\nBa Be Te\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Be\n0.499999 0.499999 0.499999 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Te"
],
"chemical_system": "Ba-Be-Te",
"density": 3.7428697395122197,
"density_atomic": 0.024684407970682155,
"volume": 121.5342091073491,
"volume_molar": 24.396537146657675,
"formula_full": "Ba1 Be1 Te1",
"formula_reduced": "BaBeTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7003432788888888,
"spacegroup": 216
},
{
"id": "jvasp-115562",
"created_at": "2022-09-04T14:38:44.255307Z",
"updated_at": "2022-09-04T14:38:44.255338Z",
"structure_string": "Ba1 W1 Cl1\n1.0\n0.000000 3.931451 3.931451\n3.931451 -0.000000 3.931451\n3.931451 3.931451 0.000000\nBa W Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 W\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"W",
"Cl"
],
"chemical_system": "Ba-Cl-W",
"density": 4.872660979865792,
"density_atomic": 0.024684973058144745,
"volume": 121.53142695086545,
"volume_molar": 24.39597866205898,
"formula_full": "Ba1 W1 Cl1",
"formula_reduced": "BaWCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.6741600125,
"spacegroup": 216
}
]
}