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=319",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=317",
"results": [
{
"id": "jvasp-104505",
"created_at": "2022-09-04T14:36:43.168782Z",
"updated_at": "2022-09-04T14:36:43.168802Z",
"structure_string": "K2 Li1 Nd1 F6\n1.0\n5.261335 -0.000000 3.037633\n1.753778 4.960434 3.037633\n-0.000000 -0.000000 6.075266\nK Li Nd F\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.736913 0.263087 0.263087 F\n0.263087 0.263087 0.736913 F\n0.263087 0.736913 0.736913 F\n0.263087 0.736913 0.263087 F\n0.736913 0.263087 0.736913 F\n0.736913 0.736913 0.263087 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Nd",
"F"
],
"chemical_system": "F-K-Li-Nd",
"density": 3.5960899113034652,
"density_atomic": 0.06306945402346091,
"volume": 158.55536019512942,
"volume_molar": 9.548426973475705,
"formula_full": "K2 Li1 Nd1 F6",
"formula_reduced": "K2LiNdF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102422",
"created_at": "2022-09-04T14:36:43.165960Z",
"updated_at": "2022-09-04T14:36:43.165992Z",
"structure_string": "Rb2 Tl1 Hg1 I6\n1.0\n7.445249 -0.000000 4.298516\n2.481750 7.019448 4.298516\n-0.000000 -0.000000 8.597033\nRb Tl Hg I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Hg\n0.745930 0.254070 0.254071 I\n0.254070 0.254070 0.745930 I\n0.254070 0.745930 0.745930 I\n0.254070 0.745930 0.254071 I\n0.745930 0.254070 0.745930 I\n0.745930 0.745930 0.254071 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Hg",
"I"
],
"chemical_system": "Hg-I-Rb-Tl",
"density": 4.94263750483659,
"density_atomic": 0.02225713285372155,
"volume": 449.2941685581002,
"volume_molar": 27.057127257040456,
"formula_full": "Rb2 Tl1 Hg1 I6",
"formula_reduced": "Rb2TlHgI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-32153",
"created_at": "2022-09-04T14:36:59.696595Z",
"updated_at": "2022-09-04T14:36:59.696608Z",
"structure_string": "Mg1 Al1 F5\n1.0\n-3.319377 0.000000 0.000000\n-1.659688 -4.084549 3.822323\n-1.659688 4.084549 3.822323\nMg Al F\n1 1 5\ndirect\n0.000001 0.500000 0.500000 Mg\n0.500001 -0.000000 -0.000000 Al\n0.663795 0.336206 0.336206 F\n0.336208 0.663793 0.663793 F\n0.500002 0.209963 0.790036 F\n0.500002 0.790036 0.209963 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mg",
"Al",
"F"
],
"chemical_system": "Al-F-Mg",
"density": 2.3435363147292803,
"density_atomic": 0.06753672077809826,
"volume": 103.64731836772947,
"volume_molar": 8.916839151528576,
"formula_full": "Mg1 Al1 F5",
"formula_reduced": "MgAlF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-22716",
"created_at": "2022-09-04T14:36:43.402582Z",
"updated_at": "2022-09-04T14:36:43.402610Z",
"structure_string": "K2 Ge1 F6\n1.0\n5.643396 0.000000 -0.000000\n-2.821698 4.887324 -0.000000\n0.000000 -0.000000 4.617070\nK Ge F\n2 1 6\ndirect\n0.333333 0.666666 0.701367 K\n0.666667 0.333333 0.298632 K\n0.000000 0.000000 0.000000 Ge\n0.844057 0.155943 0.777759 F\n0.844057 0.688112 0.777759 F\n0.311888 0.155943 0.777759 F\n0.155943 0.844056 0.222241 F\n0.155943 0.311887 0.222241 F\n0.688112 0.844056 0.222241 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Ge",
"F"
],
"chemical_system": "F-Ge-K",
"density": 3.4532917704702295,
"density_atomic": 0.07067476829749875,
"volume": 127.34389113403742,
"volume_molar": 8.520920414836548,
"formula_full": "K2 Ge1 F6",
"formula_reduced": "K2GeF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-58923",
"created_at": "2022-09-04T14:36:54.263912Z",
"updated_at": "2022-09-04T14:36:54.263936Z",
"structure_string": "K8 Hg4 S8\n1.0\n7.003709 -0.000000 0.000000\n-0.000000 8.057092 0.000000\n0.000000 0.000000 10.765852\nK Hg S\n8 4 8\ndirect\n0.750000 0.954412 0.886795 K\n0.250000 0.545588 0.886795 K\n0.500000 0.250000 0.394024 K\n0.000000 0.250000 0.394024 K\n0.500000 0.750000 0.605976 K\n0.000000 0.750000 0.605976 K\n0.250000 0.045588 0.113205 K\n0.750000 0.454412 0.113205 K\n0.250000 0.162903 0.714866 Hg\n0.250000 0.662903 0.285134 Hg\n0.750000 0.337097 0.714866 Hg\n0.750000 0.837097 0.285134 Hg\n0.750000 0.078955 0.162496 S\n0.250000 0.416266 0.605483 S\n0.750000 0.583733 0.394517 S\n0.250000 0.421045 0.162496 S\n0.250000 0.916266 0.394517 S\n0.750000 0.578955 0.837504 S\n0.250000 0.921045 0.837504 S\n0.750000 0.083734 0.605483 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Hg",
"S"
],
"chemical_system": "Hg-K-S",
"density": 3.749235986499539,
"density_atomic": 0.03292116342714278,
"volume": 607.5119442319111,
"volume_molar": 18.292612207729196,
"formula_full": "K8 Hg4 S8",
"formula_reduced": "K2HgS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 57
},
{
"id": "jvasp-102369",
"created_at": "2022-09-04T14:36:59.791443Z",
"updated_at": "2022-09-04T14:36:59.791462Z",
"structure_string": "K3 Bi1 I6\n1.0\n7.729720 -0.000000 4.462756\n2.576573 7.287650 4.462756\n-0.000000 -0.000000 8.925512\nK Bi I\n3 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Bi\n0.757698 0.242302 0.242302 I\n0.242301 0.242302 0.757699 I\n0.242301 0.757699 0.757699 I\n0.242301 0.757699 0.242302 I\n0.757698 0.242302 0.757699 I\n0.757698 0.757699 0.242302 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Bi",
"I"
],
"chemical_system": "Bi-I-K",
"density": 3.5923170950541228,
"density_atomic": 0.01988912112118186,
"volume": 502.7874253000565,
"volume_molar": 30.27856647514926,
"formula_full": "K3 Bi1 I6",
"formula_reduced": "K3BiI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101384",
"created_at": "2022-09-04T14:36:43.342424Z",
"updated_at": "2022-09-04T14:36:43.342457Z",
"structure_string": "Rb3 Tm1 Cl6\n1.0\n6.869606 -0.000000 3.966169\n2.289869 6.476726 3.966169\n0.000000 0.000000 7.932338\nRb Tm Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tm\n0.770093 0.229908 0.229908 Cl\n0.229908 0.229908 0.770092 Cl\n0.229908 0.770093 0.770092 Cl\n0.229908 0.770093 0.229908 Cl\n0.770093 0.229908 0.770092 Cl\n0.770093 0.770093 0.229908 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Tm",
"Cl"
],
"chemical_system": "Cl-Rb-Tm",
"density": 3.0020578983295,
"density_atomic": 0.02833423130572846,
"volume": 352.929991009788,
"volume_molar": 21.25394084286478,
"formula_full": "Rb3 Tm1 Cl6",
"formula_reduced": "Rb3TmCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99607",
"created_at": "2022-09-04T14:36:40.826178Z",
"updated_at": "2022-09-04T14:36:40.826206Z",
"structure_string": "Sr2 Cd1 Ga1\n1.0\n4.830839 -0.000000 2.789086\n1.610280 4.554559 2.789086\n-0.000000 -0.000000 5.578173\nSr Cd Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Sr",
"density": 4.835163622899243,
"density_atomic": 0.0325911072935282,
"volume": 122.73286586965096,
"volume_molar": 18.477864853630948,
"formula_full": "Sr2 Cd1 Ga1",
"formula_reduced": "Sr2CdGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107467",
"created_at": "2022-09-04T14:36:59.702992Z",
"updated_at": "2022-09-04T14:36:59.703011Z",
"structure_string": "Na2 Hg6\n1.0\n6.692038 0.000000 0.000000\n-3.346019 5.795475 0.000000\n0.000000 -0.000000 5.225918\nNa Hg\n2 6\ndirect\n0.666667 0.333334 0.250000 Na\n0.333334 0.666667 0.750000 Na\n0.832301 0.167700 0.750000 Hg\n0.335399 0.167700 0.750000 Hg\n0.832301 0.664602 0.750000 Hg\n0.167700 0.832301 0.250000 Hg\n0.664601 0.832301 0.250000 Hg\n0.167700 0.335399 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Hg"
],
"chemical_system": "Hg-Na",
"density": 10.237222037934234,
"density_atomic": 0.039471166458856365,
"volume": 202.6795941877972,
"volume_molar": 15.257063067232407,
"formula_full": "Na2 Hg6",
"formula_reduced": "NaHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-78665",
"created_at": "2022-09-04T14:36:43.311286Z",
"updated_at": "2022-09-04T14:36:43.311303Z",
"structure_string": "Cd1 Cu1 Sb1\n1.0\n4.029601 0.000000 2.326492\n1.343201 3.799145 2.326492\n0.000000 0.000000 4.652982\nCd Cu Sb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.499999 0.500000 Cu\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cd",
"Cu",
"Sb"
],
"chemical_system": "Cd-Cu-Sb",
"density": 6.940223301535118,
"density_atomic": 0.042115500601698795,
"volume": 71.23268053660486,
"volume_molar": 14.299107630118227,
"formula_full": "Cd1 Cu1 Sb1",
"formula_reduced": "CdCuSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-15797",
"created_at": "2022-09-04T14:36:43.298296Z",
"updated_at": "2022-09-04T14:36:43.298324Z",
"structure_string": "Tb1 Mg3\n1.0\n4.465335 -0.000000 2.578062\n1.488445 4.209959 2.578062\n0.000000 0.000000 5.156125\nTb Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750001 0.750000 0.749998 Mg\n0.500001 0.500000 0.499998 Mg\n0.250000 0.250000 0.249999 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Mg"
],
"chemical_system": "Mg-Tb",
"density": 3.971757929055137,
"density_atomic": 0.041267165653747245,
"volume": 96.92936107030123,
"volume_molar": 14.593056403555456,
"formula_full": "Tb1 Mg3",
"formula_reduced": "TbMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101012",
"created_at": "2022-09-04T14:36:40.883954Z",
"updated_at": "2022-09-04T14:36:40.883965Z",
"structure_string": "Pm1 Dy1 Zn2\n1.0\n4.399907 -0.000000 2.540288\n1.466636 4.148272 2.540288\n-0.000000 -0.000000 5.080575\nPm Dy Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500001 0.500000 0.500001 Dy\n0.250000 0.250000 0.250000 Zn\n0.750001 0.750000 0.750001 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Dy",
"Zn"
],
"chemical_system": "Dy-Pm-Zn",
"density": 7.849008769535554,
"density_atomic": 0.043135655531328636,
"volume": 92.73071084070749,
"volume_molar": 13.96093483643996,
"formula_full": "Pm1 Dy1 Zn2",
"formula_reduced": "PmDyZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}