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=chemical_system&page=87",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=85",
"results": [
{
"id": "jvasp-15511",
"created_at": "2022-09-04T14:36:47.116566Z",
"updated_at": "2022-09-04T14:36:47.116586Z",
"structure_string": "Fe2 Ag2 S4\n1.0\n5.000023 -0.000000 -2.407975\n-1.159663 4.863682 -2.407975\n-0.036835 -0.046651 6.318632\nFe Ag S\n2 2 4\ndirect\n0.500000 0.500000 0.000001 Fe\n0.749999 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.813300 0.875000 0.250001 S\n0.624999 0.186700 0.750000 S\n0.436700 0.375000 0.250000 S\n0.125000 0.563300 0.750000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Fe",
"Ag",
"S"
],
"chemical_system": "Ag-Fe-S",
"density": 4.960683691749523,
"density_atomic": 0.05244648155902984,
"volume": 152.53644786439673,
"volume_molar": 11.482449500872482,
"formula_full": "Fe2 Ag2 S4",
"formula_reduced": "FeAgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6782681899999998,
"spacegroup": 122
},
{
"id": "jvasp-81501",
"created_at": "2022-09-04T14:37:12.139301Z",
"updated_at": "2022-09-04T14:37:12.139320Z",
"structure_string": "Fe1 Ag1 S2\n1.0\n-1.678855 2.907862 0.000000\n-3.357709 -0.000000 -0.000000\n-1.678855 0.969287 6.819247\nFe Ag S\n1 1 2\ndirect\n0.000368 0.000368 -0.001106 Fe\n0.843566 0.843569 0.469300 Ag\n0.724701 0.724703 0.825899 S\n0.272365 0.272365 0.182907 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"Ag",
"S"
],
"chemical_system": "Ag-Fe-S",
"density": 5.682401297339575,
"density_atomic": 0.06007679049313091,
"volume": 66.58145295656821,
"volume_molar": 10.024072042744299,
"formula_full": "Fe1 Ag1 S2",
"formula_reduced": "FeAgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6647531899999997,
"spacegroup": 160
},
{
"id": "jvasp-77051",
"created_at": "2022-09-04T14:37:11.592998Z",
"updated_at": "2022-09-04T14:37:11.593025Z",
"structure_string": "Fe1 Ag1 S2\n1.0\n-1.678855 2.907862 0.000000\n-3.357709 -0.000000 -0.000000\n-1.678855 0.969287 6.819247\nFe Ag S\n1 1 2\ndirect\n0.000368 0.000368 -0.001106 Fe\n0.843566 0.843569 0.469300 Ag\n0.724701 0.724703 0.825899 S\n0.272365 0.272365 0.182907 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"Ag",
"S"
],
"chemical_system": "Ag-Fe-S",
"density": 5.682401297339575,
"density_atomic": 0.06007679049313091,
"volume": 66.58145295656821,
"volume_molar": 10.024072042744299,
"formula_full": "Fe1 Ag1 S2",
"formula_reduced": "FeAgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6647531899999997,
"spacegroup": 160
},
{
"id": "jvasp-90438",
"created_at": "2022-09-04T14:35:56.672167Z",
"updated_at": "2022-09-04T14:35:56.672189Z",
"structure_string": "Fe2 Ag2 Se4\n1.0\n4.165790 4.165790 0.000000\n-4.165790 0.000000 5.454261\n4.165790 -4.165790 0.000000\nFe Ag Se\n2 2 4\ndirect\n0.750000 0.500000 0.250000 Fe\n0.500000 0.000000 0.500000 Fe\n0.250000 0.500000 0.750000 Ag\n0.000000 0.000000 0.000000 Ag\n0.125000 0.750000 0.164067 Se\n0.625000 0.750000 0.585933 Se\n0.414067 0.250000 0.875000 Se\n0.835933 0.250000 0.375000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Fe",
"Ag",
"Se"
],
"chemical_system": "Ag-Fe-Se",
"density": 5.642600547965783,
"density_atomic": 0.04225998406140414,
"volume": 189.30437807018401,
"volume_molar": 14.250220140286316,
"formula_full": "Fe2 Ag2 Se4",
"formula_reduced": "FeAgSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.471372373333333,
"spacegroup": 122
},
{
"id": "jvasp-17577",
"created_at": "2022-09-04T14:38:32.084213Z",
"updated_at": "2022-09-04T14:38:32.084242Z",
"structure_string": "Fe1 Ag2 Sn1 S4\n1.0\n5.058357 0.000000 -2.346807\n-1.088794 4.939788 -2.346807\n0.219066 0.272609 7.097025\nFe Ag Sn S\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.750001 0.250000 0.500000 Ag\n0.250001 0.750000 0.500000 Ag\n0.500001 0.500000 -0.000000 Sn\n0.882898 0.882897 0.230682 S\n0.652216 0.117103 0.769319 S\n0.117104 0.652215 0.769319 S\n0.347786 0.347785 0.230682 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Fe",
"Ag",
"Sn",
"S"
],
"chemical_system": "Ag-Fe-S-Sn",
"density": 4.684664875445433,
"density_atomic": 0.04352388026044805,
"volume": 183.80714109421743,
"volume_molar": 13.836405954531973,
"formula_full": "Fe1 Ag2 Sn1 S4",
"formula_reduced": "FeAg2SnS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.550486465,
"spacegroup": 121
},
{
"id": "jvasp-99992",
"created_at": "2022-09-04T14:36:39.434785Z",
"updated_at": "2022-09-04T14:36:39.434817Z",
"structure_string": "Fe1 Ag1 Te2\n1.0\n4.128627 -0.000000 -0.000000\n-2.064313 3.575497 -0.000000\n-0.000000 0.000000 5.879642\nFe Ag Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Ag\n0.666668 0.333333 0.201512 Te\n0.333334 0.666667 0.798488 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"Ag",
"Te"
],
"chemical_system": "Ag-Fe-Te",
"density": 8.014569379384275,
"density_atomic": 0.046085790517097346,
"volume": 86.79464874354368,
"volume_molar": 13.067239798709428,
"formula_full": "Fe1 Ag1 Te2",
"formula_reduced": "FeAgTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2623320733333332,
"spacegroup": 164
},
{
"id": "jvasp-5704",
"created_at": "2022-09-04T14:37:00.171918Z",
"updated_at": "2022-09-04T14:37:00.171946Z",
"structure_string": "Fe3 Ag3 Te6\n1.0\n4.030272 -6.980636 0.000000\n4.030272 6.980636 0.000000\n0.000000 0.000000 5.114957\nFe Ag Te\n3 3 6\ndirect\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.333333 0.666667 0.185443 Ag\n0.666667 0.333333 0.814557 Ag\n0.000000 0.000000 0.000000 Ag\n0.372508 0.186254 0.247451 Te\n0.813745 0.627491 0.247451 Te\n0.813746 0.186254 0.247451 Te\n0.186254 0.813746 0.752549 Te\n0.186254 0.372508 0.752549 Te\n0.627491 0.813745 0.752549 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"Ag",
"Te"
],
"chemical_system": "Ag-Fe-Te",
"density": 7.250919184742255,
"density_atomic": 0.041694609752084555,
"volume": 287.80698683479227,
"volume_molar": 14.443451553588217,
"formula_full": "Fe3 Ag3 Te6",
"formula_reduced": "FeAgTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.289544573333333,
"spacegroup": 164
},
{
"id": "jvasp-99873",
"created_at": "2022-09-04T14:36:40.525478Z",
"updated_at": "2022-09-04T14:36:40.525498Z",
"structure_string": "Fe1 Ag3 F6\n1.0\n5.168788 0.000000 2.984201\n1.722929 4.873180 2.984201\n0.000000 0.000000 5.968403\nFe Ag F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.749999 Ag\n0.500000 0.500000 0.499999 Ag\n0.770680 0.229321 0.229320 F\n0.229321 0.770679 0.770679 F\n0.229321 0.770679 0.229320 F\n0.770680 0.229321 0.770678 F\n0.229321 0.229321 0.770679 F\n0.770680 0.770679 0.229320 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Fe",
"Ag",
"F"
],
"chemical_system": "Ag-F-Fe",
"density": 5.450347008511081,
"density_atomic": 0.06651823040347653,
"volume": 150.33472687627838,
"volume_molar": 9.053368863651036,
"formula_full": "Fe1 Ag3 F6",
"formula_reduced": "FeAg3F6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0632048975,
"spacegroup": 225
},
{
"id": "jvasp-109117",
"created_at": "2022-09-04T14:38:27.006459Z",
"updated_at": "2022-09-04T14:38:27.006483Z",
"structure_string": "Ga1 Ag3 F6\n1.0\n5.157146 -0.000000 2.977480\n1.719049 4.862204 2.977480\n-0.000000 -0.000000 5.954959\nGa Ag F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Ag\n0.750001 0.749999 0.750000 Ag\n0.500001 0.500000 0.500000 Ag\n0.774288 0.225713 0.225713 F\n0.225713 0.774287 0.774287 F\n0.225713 0.774287 0.225713 F\n0.774288 0.225713 0.774287 F\n0.225713 0.225713 0.774287 F\n0.774288 0.774287 0.225713 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ga",
"Ag",
"F"
],
"chemical_system": "Ag-F-Ga",
"density": 5.6416742582110855,
"density_atomic": 0.06696974132780174,
"volume": 149.3211680638314,
"volume_molar": 8.992330925280093,
"formula_full": "Ga1 Ag3 F6",
"formula_reduced": "GaAg3F6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102861",
"created_at": "2022-09-04T14:36:32.892601Z",
"updated_at": "2022-09-04T14:36:32.892619Z",
"structure_string": "Na2 Ga1 Ag1 F6\n1.0\n5.197819 0.000000 3.000962\n1.732606 4.900551 3.000962\n0.000000 0.000000 6.001924\nNa Ga Ag F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500000 0.499999 Ag\n0.775270 0.224731 0.224730 F\n0.224731 0.224731 0.775269 F\n0.224731 0.775269 0.775268 F\n0.224731 0.775269 0.224730 F\n0.775270 0.224731 0.775268 F\n0.775270 0.775269 0.224730 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Ga",
"Ag",
"F"
],
"chemical_system": "Ag-F-Ga-Na",
"density": 3.6664435924161753,
"density_atomic": 0.06540989359166427,
"volume": 152.88207105835107,
"volume_molar": 9.206773515937124,
"formula_full": "Na2 Ga1 Ag1 F6",
"formula_reduced": "Na2GaAgF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108596",
"created_at": "2022-09-04T14:38:12.171769Z",
"updated_at": "2022-09-04T14:38:12.171791Z",
"structure_string": "Rb2 Ga1 Ag1 F6\n1.0\n5.300098 -0.000000 3.060013\n1.766699 4.996980 3.060013\n-0.000000 -0.000000 6.120026\nRb Ga Ag F\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 Ga\n0.500000 0.500000 0.500000 Ag\n0.777830 0.222170 0.222170 F\n0.222170 0.222170 0.777830 F\n0.222170 0.777830 0.777830 F\n0.222170 0.777830 0.222170 F\n0.777830 0.222170 0.777830 F\n0.777830 0.777830 0.222169 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Ag",
"F"
],
"chemical_system": "Ag-F-Ga-Rb",
"density": 4.738405514374764,
"density_atomic": 0.06169574625728061,
"volume": 162.0857288653011,
"volume_molar": 9.761030744140383,
"formula_full": "Rb2 Ga1 Ag1 F6",
"formula_reduced": "Rb2GaAgF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-12928",
"created_at": "2022-09-04T14:37:08.548550Z",
"updated_at": "2022-09-04T14:37:08.548571Z",
"structure_string": "Hf2 Ag3 F14\n1.0\n5.748653 -0.021144 0.112562\n1.782455 5.465374 0.112562\n0.137715 0.099554 9.197347\nHf Ag F\n2 3 14\ndirect\n0.590356 0.590355 0.782958 Hf\n0.409644 0.409644 0.217042 Hf\n0.813553 0.813553 0.394770 Ag\n0.186447 0.186447 0.605230 Ag\n0.000000 0.000000 0.000000 Ag\n0.510605 0.157215 0.390082 F\n0.157215 0.510604 0.390082 F\n0.489395 0.842785 0.609918 F\n0.221782 0.221782 0.131085 F\n0.860295 0.269891 0.838400 F\n0.385370 0.385370 0.714493 F\n-0.000000 -0.000000 0.500000 F\n0.500000 0.500000 -0.000000 F\n0.842785 0.489395 0.609918 F\n0.269892 0.860295 0.838400 F\n0.139705 0.730108 0.161599 F\n0.730108 0.139705 0.161599 F\n0.614630 0.614630 0.285507 F\n0.778218 0.778218 0.868915 F\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Hf",
"Ag",
"F"
],
"chemical_system": "Ag-F-Hf",
"density": 5.435299813155711,
"density_atomic": 0.06570203639922333,
"volume": 289.1843395013035,
"volume_molar": 9.165835779286725,
"formula_full": "Hf2 Ag3 F14",
"formula_reduced": "Hf2Ag3F14",
"formula_anonymous": "A2B3C14",
"energy_above_hull": 0.3975885123684219,
"spacegroup": 12
}
]
}