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=110",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=108",
"results": [
{
"id": "jvasp-110753",
"created_at": "2022-09-04T14:38:45.378810Z",
"updated_at": "2022-09-04T14:38:45.378830Z",
"structure_string": "Ca2 Zn1 Pb1\n1.0\n4.638107 -0.000000 2.677812\n1.546036 4.372849 2.677812\n-0.000000 -0.000000 5.355625\nCa Zn Pb\n2 1 1\ndirect\n0.750001 0.750000 0.749998 Ca\n0.250000 0.250000 0.249999 Ca\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500000 0.499999 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Pb"
],
"chemical_system": "Ca-Pb-Zn",
"density": 5.392860452611913,
"density_atomic": 0.036825155280018666,
"volume": 108.6214021253673,
"volume_molar": 16.353334328688128,
"formula_full": "Ca2 Zn1 Pb1",
"formula_reduced": "Ca2ZnPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-37780",
"created_at": "2022-09-04T14:38:34.129414Z",
"updated_at": "2022-09-04T14:38:34.129445Z",
"structure_string": "Ga3 Bi1\n1.0\n4.567680 0.000000 0.000000\n0.000000 4.567680 -0.000000\n0.000000 -0.000000 4.567680\nGa Bi\n3 1\ndirect\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Bi"
],
"chemical_system": "Bi-Ga",
"density": 7.286073755346644,
"density_atomic": 0.04197328682772474,
"volume": 95.29870787621684,
"volume_molar": 14.34755582691746,
"formula_full": "Ga3 Bi1",
"formula_reduced": "Ga3Bi",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-20296",
"created_at": "2022-09-04T14:38:34.138088Z",
"updated_at": "2022-09-04T14:38:34.138105Z",
"structure_string": "Ba2 Zn10\n1.0\n5.401100 0.000000 0.000000\n-0.000000 6.638621 -1.688714\n-0.000000 -0.011510 6.850029\nBa Zn\n2 10\ndirect\n0.750000 0.332739 0.332739 Ba\n0.250000 0.667261 0.667262 Ba\n0.500000 0.205222 0.794778 Zn\n0.000000 0.794778 0.205223 Zn\n0.250000 0.079665 0.079665 Zn\n0.750000 0.920335 0.920336 Zn\n0.250000 0.464935 0.087337 Zn\n0.750000 0.535065 0.912664 Zn\n0.250000 0.087337 0.464935 Zn\n0.750000 0.912663 0.535065 Zn\n0.000000 0.205222 0.794778 Zn\n0.500000 0.794778 0.205223 Zn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ba",
"Zn"
],
"chemical_system": "Ba-Zn",
"density": 6.2817157909931245,
"density_atomic": 0.048878110722543604,
"volume": 245.50867090829166,
"volume_molar": 12.320731450085413,
"formula_full": "Ba2 Zn10",
"formula_reduced": "BaZn5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-110781",
"created_at": "2022-09-04T14:38:39.447866Z",
"updated_at": "2022-09-04T14:38:39.447903Z",
"structure_string": "Er2 Zn1 Hg1\n1.0\n4.411780 -0.000000 2.547142\n1.470593 4.159466 2.547142\n-0.000000 -0.000000 5.094285\nEr Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.749999 0.750001 0.749999 Er\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.499999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Zn",
"Hg"
],
"chemical_system": "Er-Hg-Zn",
"density": 10.666937233736782,
"density_atomic": 0.04278832907101523,
"volume": 93.48343547983032,
"volume_molar": 14.074260179697907,
"formula_full": "Er2 Zn1 Hg1",
"formula_reduced": "Er2ZnHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-115841",
"created_at": "2022-09-04T14:38:40.847453Z",
"updated_at": "2022-09-04T14:38:40.847480Z",
"structure_string": "Rb2 Ag1 Se1\n1.0\n0.000000 4.070242 4.070242\n4.070242 0.000000 4.070242\n4.070242 4.070242 0.000000\nRb Ag Se\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Ag",
"Se"
],
"chemical_system": "Ag-Rb-Se",
"density": 4.4050901681755255,
"density_atomic": 0.02965987398659408,
"volume": 134.86233966496127,
"volume_molar": 20.3039998171332,
"formula_full": "Rb2 Ag1 Se1",
"formula_reduced": "Rb2AgSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-20862",
"created_at": "2022-09-04T14:38:34.119604Z",
"updated_at": "2022-09-04T14:38:34.119620Z",
"structure_string": "Na8 Be4 F16\n1.0\n4.931988 0.000000 0.000000\n-0.000000 6.565522 0.000000\n0.000000 0.000000 10.898307\nNa Be F\n8 4 16\ndirect\n0.514374 0.250000 0.778891 Na\n0.014374 0.750000 0.721110 Na\n0.485626 0.750000 0.221110 Na\n0.985627 0.250000 0.278890 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.925841 0.750000 0.403817 Be\n0.074160 0.250000 0.596183 Be\n0.574160 0.750000 0.903817 Be\n0.425841 0.250000 0.096183 Be\n0.197593 0.250000 0.461426 F\n0.697593 0.750000 0.038574 F\n0.757992 0.250000 0.593158 F\n0.257992 0.750000 0.906843 F\n0.242009 0.750000 0.406843 F\n0.742009 0.250000 0.093158 F\n0.801924 0.943056 0.338234 F\n0.198077 0.056944 0.661766 F\n0.301923 0.056944 0.161766 F\n0.198077 0.443056 0.661766 F\n0.801924 0.556944 0.338234 F\n0.301923 0.443056 0.161766 F\n0.302407 0.250000 0.961426 F\n0.698077 0.943056 0.838235 F\n0.698077 0.556944 0.838235 F\n0.802407 0.750000 0.538574 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Be",
"F"
],
"chemical_system": "Be-F-Na",
"density": 2.4653662636025113,
"density_atomic": 0.0793428363470802,
"volume": 352.8989041621323,
"volume_molar": 7.590024553264681,
"formula_full": "Na8 Be4 F16",
"formula_reduced": "Na2BeF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-112901",
"created_at": "2022-09-04T14:38:45.363470Z",
"updated_at": "2022-09-04T14:38:45.363500Z",
"structure_string": "Rb4 Ge4 Cl12\n1.0\n7.166605 -0.000000 0.000000\n0.000000 7.766774 0.000000\n-0.000000 -0.000000 10.670260\nRb Ge Cl\n4 4 12\ndirect\n0.971087 0.422123 0.750917 Rb\n0.471087 0.077877 0.250917 Rb\n0.528914 0.922123 0.750917 Rb\n0.028914 0.577876 0.250917 Rb\n0.486984 0.476025 0.515699 Ge\n0.513017 0.523974 0.015699 Ge\n0.013016 0.976025 0.515699 Ge\n0.986984 0.023974 0.015699 Ge\n0.574446 0.499256 0.239752 Cl\n0.925555 -0.000744 0.239752 Cl\n0.700971 0.181239 0.968036 Cl\n0.425555 0.500743 0.739752 Cl\n0.799030 0.681238 0.968036 Cl\n0.172109 0.287781 0.040794 Cl\n0.299029 0.818761 0.468036 Cl\n0.827892 0.712218 0.540794 Cl\n0.074445 0.000744 0.739752 Cl\n0.327892 0.787781 0.040794 Cl\n0.200971 0.318761 0.468036 Cl\n0.672109 0.212219 0.540794 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Ge",
"Cl"
],
"chemical_system": "Cl-Ge-Rb",
"density": 2.9576794980702656,
"density_atomic": 0.03367447684643324,
"volume": 593.9216247131802,
"volume_molar": 17.88339812215333,
"formula_full": "Rb4 Ge4 Cl12",
"formula_reduced": "RbGeCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 33
},
{
"id": "jvasp-110341",
"created_at": "2022-09-04T14:38:39.723875Z",
"updated_at": "2022-09-04T14:38:39.723911Z",
"structure_string": "K3 Y1 Br6\n1.0\n7.100508 0.000000 4.099480\n2.366836 6.694423 4.099480\n0.000000 0.000000 8.198961\nK Y Br\n3 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Y\n0.761765 0.238235 0.238235 Br\n0.238236 0.238235 0.761765 Br\n0.238236 0.761764 0.761764 Br\n0.238236 0.761764 0.238235 Br\n0.761765 0.238235 0.761764 Br\n0.761765 0.761764 0.238235 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Y",
"Br"
],
"chemical_system": "Br-K-Y",
"density": 2.9212867690616426,
"density_atomic": 0.025658933884306807,
"volume": 389.7278057260233,
"volume_molar": 23.469957041680463,
"formula_full": "K3 Y1 Br6",
"formula_reduced": "K3YBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-115676",
"created_at": "2022-09-04T14:38:45.500488Z",
"updated_at": "2022-09-04T14:38:45.500524Z",
"structure_string": "I1 Br1 Cl1\n1.0\n3.477819 -0.000000 -0.000000\n-0.000000 3.477819 0.000000\n-0.000000 0.000000 8.844395\nI Br Cl\n1 1 1\ndirect\n0.000000 0.000000 0.685840 I\n0.000000 0.000000 0.013749 Br\n0.000000 0.000000 0.270019 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"I",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-I",
"density": 3.7605499672948626,
"density_atomic": 0.028043949265918217,
"volume": 106.97494748522801,
"volume_molar": 21.473939718321706,
"formula_full": "I1 Br1 Cl1",
"formula_reduced": "IBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-115849",
"created_at": "2022-09-04T14:38:39.718425Z",
"updated_at": "2022-09-04T14:38:39.718439Z",
"structure_string": "Sr2 Cd2 P2\n1.0\n4.523965 -0.000000 -0.000000\n-2.261982 3.917868 0.000000\n0.000000 -0.000000 8.711407\nSr Cd P\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333334 0.666667 0.250000 Cd\n0.666666 0.333334 0.750000 Cd\n0.333334 0.666667 0.750000 P\n0.666666 0.333334 0.250000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"P"
],
"chemical_system": "Cd-P-Sr",
"density": 4.968698963504506,
"density_atomic": 0.038859204853920776,
"volume": 154.40357111153338,
"volume_molar": 15.49733398467206,
"formula_full": "Sr2 Cd2 P2",
"formula_reduced": "SrCdP",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-56601",
"created_at": "2022-09-04T14:38:34.636418Z",
"updated_at": "2022-09-04T14:38:34.636454Z",
"structure_string": "Ca1 In1 Cu4\n1.0\n4.454300 0.000000 2.571692\n1.484767 4.199555 2.571692\n-0.000000 0.000000 5.143383\nCa In Cu\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 In\n0.624472 0.126583 0.624471 Cu\n0.624472 0.624471 0.126583 Cu\n0.126584 0.624471 0.624471 Cu\n0.624472 0.624471 0.624471 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"In",
"Cu"
],
"chemical_system": "Ca-Cu-In",
"density": 7.060342063723291,
"density_atomic": 0.06236194446492224,
"volume": 96.21252274093088,
"volume_molar": 9.656755913676447,
"formula_full": "Ca1 In1 Cu4",
"formula_reduced": "CaInCu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-117110",
"created_at": "2022-09-04T14:38:45.417913Z",
"updated_at": "2022-09-04T14:38:45.417938Z",
"structure_string": "Ca4 Cd4 Pt4\n1.0\n4.272239 -0.000000 0.000000\n0.000000 7.265380 0.000000\n-0.000000 -0.000000 8.647892\nCa Cd Pt\n4 4 4\ndirect\n0.250000 0.037821 0.322498 Ca\n0.250000 0.537821 0.177502 Ca\n0.750000 0.962179 0.677502 Ca\n0.750000 0.462179 0.822498 Ca\n0.250000 0.141621 0.936559 Cd\n0.250000 0.641621 0.563441 Cd\n0.750000 0.858379 0.063441 Cd\n0.750000 0.358379 0.436559 Cd\n0.250000 0.252993 0.629096 Pt\n0.250000 0.752993 0.870904 Pt\n0.750000 0.747007 0.370904 Pt\n0.750000 0.247007 0.129096 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Pt"
],
"chemical_system": "Ca-Cd-Pt",
"density": 8.600644357434703,
"density_atomic": 0.04470510450904173,
"volume": 268.42572300827453,
"volume_molar": 13.470812396338333,
"formula_full": "Ca4 Cd4 Pt4",
"formula_reduced": "CaCdPt",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
}
]
}