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=969",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=967",
"results": [
{
"id": "jvasp-79876",
"created_at": "2022-09-04T14:37:13.770445Z",
"updated_at": "2022-09-04T14:37:13.770462Z",
"structure_string": "Pm2 Cd1 Ge1\n1.0\n0.000000 3.712352 3.712352\n3.712352 0.000000 3.712352\n3.712352 3.712352 -0.000000\nPm Cd Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500001 0.500001 0.500001 Pm\n0.250000 0.250000 0.250000 Cd\n0.749999 0.749999 0.749999 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Cd",
"Ge"
],
"chemical_system": "Cd-Ge-Pm",
"density": 7.709245791352618,
"density_atomic": 0.03909151928951372,
"volume": 102.32398414540512,
"volume_molar": 15.40523589119095,
"formula_full": "Pm2 Cd1 Ge1",
"formula_reduced": "Pm2CdGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3864070125,
"spacegroup": 225
},
{
"id": "jvasp-22951",
"created_at": "2022-09-04T14:38:19.984303Z",
"updated_at": "2022-09-04T14:38:19.984326Z",
"structure_string": "Sr8 Sn4 S12 F8\n1.0\n5.966276 -0.000000 0.000000\n-0.000000 5.951323 0.000000\n0.000000 0.000000 19.008294\nSr Sn S F\n8 4 12 8\ndirect\n0.246771 0.497318 0.073877 Sr\n0.746771 0.002682 0.426123 Sr\n0.253229 0.997318 0.926123 Sr\n0.753230 0.502681 0.573877 Sr\n0.246771 0.497318 0.426123 Sr\n0.746771 0.002682 0.073877 Sr\n0.253229 0.997318 0.573877 Sr\n0.753230 0.502681 0.926123 Sr\n0.156958 0.568996 0.750000 Sn\n0.656958 0.931003 0.750000 Sn\n0.843043 0.431003 0.250000 Sn\n0.343042 0.068996 0.250000 Sn\n0.744585 0.519026 0.750000 S\n0.257200 0.487743 0.631746 S\n0.757200 0.012256 0.868253 S\n0.242801 0.987743 0.368253 S\n0.742801 0.512256 0.131746 S\n0.244585 0.980973 0.750000 S\n0.257200 0.487743 0.868253 S\n0.255416 0.480973 0.250000 S\n0.757200 0.012256 0.631746 S\n0.242801 0.987743 0.131746 S\n0.742801 0.512256 0.368253 S\n0.755416 0.019027 0.250000 S\n0.000789 0.752529 0.499661 F\n0.500789 0.747470 0.499661 F\n0.000789 0.752529 0.000338 F\n0.999212 0.247470 0.500338 F\n0.499212 0.252530 0.999661 F\n0.499212 0.252530 0.500338 F\n0.999212 0.247470 0.999661 F\n0.500789 0.747470 0.000338 F\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sr",
"Sn",
"S",
"F"
],
"chemical_system": "F-S-Sn-Sr",
"density": 4.21343912522135,
"density_atomic": 0.04741218563615221,
"volume": 674.9319730917387,
"volume_molar": 12.70167295432182,
"formula_full": "Sr8 Sn4 S12 F8",
"formula_reduced": "Sr2SnS3F2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 0.386445610625,
"spacegroup": 62
},
{
"id": "jvasp-105021",
"created_at": "2022-09-04T14:36:42.627337Z",
"updated_at": "2022-09-04T14:36:42.627367Z",
"structure_string": "K2 Ta1 Ag1 Br6\n1.0\n6.630767 -0.000000 3.828275\n2.210256 6.251547 3.828275\n-0.000000 -0.000000 7.656550\nK Ta Ag Br\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ag\n0.257572 0.257572 0.742428 Br\n0.257572 0.742428 0.742428 Br\n0.742429 0.742428 0.257572 Br\n0.257572 0.742428 0.257572 Br\n0.742429 0.257572 0.742428 Br\n0.742429 0.257572 0.257572 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ta",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-K-Ta",
"density": 4.428525824417241,
"density_atomic": 0.031507620727343685,
"volume": 317.38353354372975,
"volume_molar": 19.113283139065224,
"formula_full": "K2 Ta1 Ag1 Br6",
"formula_reduced": "K2TaAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.3865027089999999,
"spacegroup": 225
},
{
"id": "jvasp-70183",
"created_at": "2022-09-04T14:35:43.447425Z",
"updated_at": "2022-09-04T14:35:43.447458Z",
"structure_string": "Be1 In1 Ga1\n1.0\n1.630961 -2.824909 -0.000000\n1.630961 2.824909 0.000000\n-0.000000 0.000000 5.850583\nBe In Ga\n1 1 1\ndirect\n0.000000 0.000000 0.019719 Be\n0.666667 0.333332 0.691726 In\n0.333332 0.666667 0.288555 Ga\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"In",
"Ga"
],
"chemical_system": "Be-Ga-In",
"density": 5.961729045815633,
"density_atomic": 0.05564729723630583,
"volume": 53.9109740992545,
"volume_molar": 10.821982484480825,
"formula_full": "Be1 In1 Ga1",
"formula_reduced": "BeInGa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3865606841666666,
"spacegroup": 156
},
{
"id": "jvasp-50703",
"created_at": "2022-09-04T14:36:08.912535Z",
"updated_at": "2022-09-04T14:36:08.912551Z",
"structure_string": "Ag1 Hg1\n1.0\n3.434543 0.000000 0.000000\n0.000000 3.434543 0.000000\n0.000000 0.000000 3.436867\nAg Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg",
"density": 12.634113531227579,
"density_atomic": 0.04933207163185564,
"volume": 40.54157739259671,
"volume_molar": 12.207354284532558,
"formula_full": "Ag1 Hg1",
"formula_reduced": "AgHg",
"formula_anonymous": "AB",
"energy_above_hull": 0.386625,
"spacegroup": 221
},
{
"id": "jvasp-8191",
"created_at": "2022-09-04T14:37:50.256060Z",
"updated_at": "2022-09-04T14:37:50.256090Z",
"structure_string": "Zr1 Pd1 F6\n1.0\n4.788340 0.126135 3.321802\n1.805173 4.436830 3.321802\n0.182265 0.126134 5.824890\nZr Pd F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Zr\n0.000000 0.000000 0.000000 Pd\n0.592202 0.257904 0.887916 F\n0.257904 0.887914 0.592203 F\n0.112084 0.407797 0.742096 F\n0.742095 0.112084 0.407798 F\n0.407797 0.742094 0.112085 F\n0.887915 0.592201 0.257905 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Pd",
"F"
],
"chemical_system": "F-Pd-Zr",
"density": 4.364573765318392,
"density_atomic": 0.0674741324111962,
"volume": 118.56395501681968,
"volume_molar": 8.925110327169953,
"formula_full": "Zr1 Pd1 F6",
"formula_reduced": "ZrPdF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.386850236875,
"spacegroup": 148
},
{
"id": "jvasp-100817",
"created_at": "2022-09-04T14:36:37.955255Z",
"updated_at": "2022-09-04T14:36:37.955284Z",
"structure_string": "Na1 Bi1 Te2\n1.0\n4.535704 0.000000 0.000000\n0.000000 4.535704 0.000000\n0.000000 0.000000 6.270245\nNa Bi Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 -0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Bi",
"Te"
],
"chemical_system": "Bi-Na-Te",
"density": 6.271275281985103,
"density_atomic": 0.03100887935046619,
"volume": 128.99530985275234,
"volume_molar": 19.420697832827233,
"formula_full": "Na1 Bi1 Te2",
"formula_reduced": "NaBiTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3869697083333334,
"spacegroup": 123
},
{
"id": "jvasp-94358",
"created_at": "2022-09-04T14:36:00.088938Z",
"updated_at": "2022-09-04T14:36:00.088964Z",
"structure_string": "Mg1 Sn5\n1.0\n3.403264 0.000000 -0.000000\n-1.701632 2.947314 -0.000000\n-0.000000 0.000000 16.166037\nMg Sn\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.848718 Sn\n0.000000 0.000000 0.673127 Sn\n0.666666 0.333333 0.500000 Sn\n0.000000 0.000000 0.326873 Sn\n0.666666 0.333333 0.151282 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 6.327177931706261,
"density_atomic": 0.037002037175196525,
"volume": 162.15323420143915,
"volume_molar": 16.27516001750521,
"formula_full": "Mg1 Sn5",
"formula_reduced": "MgSn5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.3869887571428572,
"spacegroup": 187
},
{
"id": "jvasp-107904",
"created_at": "2022-09-04T14:38:17.613010Z",
"updated_at": "2022-09-04T14:38:17.613030Z",
"structure_string": "Cd1 Pd2 Au1\n1.0\n3.969590 -0.000000 2.291844\n1.323197 3.742565 2.291844\n-0.000000 -0.000000 4.583687\nCd Pd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750001 0.749999 Pd\n0.500000 0.500001 0.499999 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Pd",
"Au"
],
"chemical_system": "Au-Cd-Pd",
"density": 12.734169245265507,
"density_atomic": 0.05873947123609949,
"volume": 68.09731030642513,
"volume_molar": 10.252289701067271,
"formula_full": "Cd1 Pd2 Au1",
"formula_reduced": "CdPd2Au",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.38701718,
"spacegroup": 225
},
{
"id": "jvasp-52297",
"created_at": "2022-09-04T14:37:03.423503Z",
"updated_at": "2022-09-04T14:37:03.423519Z",
"structure_string": "Li4 Cu4 S4\n1.0\n0.000000 -0.000000 4.703815\n5.089412 -5.089413 2.351908\n5.089413 5.089412 -2.351908\nLi Cu S\n4 4 4\ndirect\n0.249647 0.154240 0.153534 Li\n0.903889 0.846466 0.154240 Li\n0.596113 0.153534 0.845759 Li\n0.250353 0.845759 0.846466 Li\n0.901362 0.196844 0.499564 Cu\n0.598206 0.500435 0.196844 Cu\n0.901795 0.499564 0.803155 Cu\n0.598640 0.803155 0.500435 Cu\n0.749561 0.201522 0.200644 S\n0.451084 0.799356 0.201522 S\n0.048917 0.200644 0.798477 S\n0.750441 0.798477 0.799356 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Cu",
"S"
],
"chemical_system": "Cu-Li-S",
"density": 2.795359641618557,
"density_atomic": 0.04924540499200677,
"volume": 243.67755736698217,
"volume_molar": 12.228837920974515,
"formula_full": "Li4 Cu4 S4",
"formula_reduced": "LiCuS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3870468166666667,
"spacegroup": 139
},
{
"id": "jvasp-37704",
"created_at": "2022-09-04T14:38:04.878815Z",
"updated_at": "2022-09-04T14:38:04.878838Z",
"structure_string": "Pb1 Au3\n1.0\n-0.000000 3.469382 3.469384\n3.469383 -0.000001 3.469385\n3.469383 3.469383 -0.000001\nPb Au\n1 3\ndirect\n0.750000 0.750000 0.749999 Pb\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.499999 Au\n0.249999 0.249999 0.249999 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"Au"
],
"chemical_system": "Au-Pb",
"density": 15.867893043586735,
"density_atomic": 0.04789310642166526,
"volume": 83.51932666014189,
"volume_molar": 12.574128533194877,
"formula_full": "Pb1 Au3",
"formula_reduced": "PbAu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3873133824999999,
"spacegroup": 225
},
{
"id": "jvasp-18621",
"created_at": "2022-09-04T14:36:20.396219Z",
"updated_at": "2022-09-04T14:36:20.396248Z",
"structure_string": "Tb1 Pb1 Au1\n1.0\n4.182587 -0.000000 2.414818\n1.394196 3.943381 2.414818\n-0.000000 -0.000000 4.829635\nTb Pb Au\n1 1 1\ndirect\n0.500001 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Pb\n0.250000 0.250000 0.250000 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tb",
"Pb",
"Au"
],
"chemical_system": "Au-Pb-Tb",
"density": 11.73816903362685,
"density_atomic": 0.03766111916601806,
"volume": 79.65774959515608,
"volume_molar": 15.990339356228764,
"formula_full": "Tb1 Pb1 Au1",
"formula_reduced": "TbPbAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3873889300000001,
"spacegroup": 216
}
]
}