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=formula_reduced&page=3826",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3824",
"results": [
{
"id": "jvasp-17913",
"created_at": "2022-09-04T14:38:13.730213Z",
"updated_at": "2022-09-04T14:38:13.730225Z",
"structure_string": "Ta2 Pb2 S4\n1.0\n1.686069 -2.920358 0.000000\n1.686069 2.920358 -0.000000\n-0.000000 -0.000000 18.002431\nTa Pb S\n2 2 4\ndirect\n0.666667 0.333333 0.750000 Ta\n0.333333 0.666667 0.250000 Ta\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.000000 0.000000 0.163844 S\n0.000000 0.000000 0.663844 S\n0.000000 0.000000 0.336156 S\n0.000000 0.000000 0.836156 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ta",
"Pb",
"S"
],
"chemical_system": "Pb-S-Ta",
"density": 8.472505370859391,
"density_atomic": 0.04512501911506579,
"volume": 177.28524346107272,
"volume_molar": 13.345458634918119,
"formula_full": "Ta2 Pb2 S4",
"formula_reduced": "TaPbS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.446447505,
"spacegroup": 194
},
{
"id": "jvasp-56889",
"created_at": "2022-09-04T14:36:43.628772Z",
"updated_at": "2022-09-04T14:36:43.628807Z",
"structure_string": "Ta1 Pb1 Se2\n1.0\n1.738514 -3.011195 0.000000\n1.738514 3.011195 0.000000\n-0.000000 -0.000000 9.463804\nTa Pb Se\n1 1 2\ndirect\n0.333332 0.666665 0.500000 Ta\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.675970 Se\n0.000000 0.000000 0.324030 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Pb",
"Se"
],
"chemical_system": "Pb-Se-Ta",
"density": 9.151302754327032,
"density_atomic": 0.04036892508160567,
"volume": 99.08611616271703,
"volume_molar": 14.917763472339827,
"formula_full": "Ta1 Pb1 Se2",
"formula_reduced": "TaPbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.265216688333333,
"spacegroup": 187
},
{
"id": "jvasp-105987",
"created_at": "2022-09-04T14:36:14.086995Z",
"updated_at": "2022-09-04T14:36:14.087017Z",
"structure_string": "Ta1 Pd1\n1.0\n2.746032 0.001267 4.113824\n1.247821 2.446149 4.113824\n0.002067 0.001267 4.946134\nTa Pd\n1 1\ndirect\n0.499999 0.500002 0.499998 Ta\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"Pd"
],
"chemical_system": "Pd-Ta",
"density": 14.378356586707133,
"density_atomic": 0.0602631632265559,
"volume": 33.18776998945633,
"volume_molar": 9.993071119350486,
"formula_full": "Ta1 Pd1",
"formula_reduced": "TaPd",
"formula_anonymous": "AB",
"energy_above_hull": 2.7170174499999997,
"spacegroup": 166
},
{
"id": "jvasp-37076",
"created_at": "2022-09-04T14:38:01.781258Z",
"updated_at": "2022-09-04T14:38:01.781280Z",
"structure_string": "Ta2 Pd2\n1.0\n3.315634 0.000000 0.000000\n0.000000 3.315634 0.000000\n0.000000 0.000000 6.063966\nTa Pd\n2 2\ndirect\n0.499999 0.000000 0.856867 Ta\n0.000000 0.499999 0.143134 Ta\n0.499999 0.000000 0.368659 Pd\n0.000000 0.499999 0.631342 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Pd"
],
"chemical_system": "Pd-Ta",
"density": 14.31618792840914,
"density_atomic": 0.06000259937282232,
"volume": 66.66377859976124,
"volume_molar": 10.036466458030947,
"formula_full": "Ta2 Pd2",
"formula_reduced": "TaPd",
"formula_anonymous": "AB",
"energy_above_hull": 2.6097424499999997,
"spacegroup": 129
},
{
"id": "jvasp-18773",
"created_at": "2022-09-04T14:36:59.423555Z",
"updated_at": "2022-09-04T14:36:59.423578Z",
"structure_string": "Ta1 Pd2\n1.0\n2.753289 -0.000000 -0.865493\n-0.479372 3.541669 -1.524968\n0.021593 -0.027098 4.880792\nTa Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.334913 0.334914 0.669829 Pd\n0.665086 0.665086 0.330171 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ta",
"Pd"
],
"chemical_system": "Pd-Ta",
"density": 13.756201475204387,
"density_atomic": 0.06311147638817285,
"volume": 47.53493614296436,
"volume_molar": 9.542069215684764,
"formula_full": "Ta1 Pd2",
"formula_reduced": "TaPd2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8178335333333333,
"spacegroup": 71
},
{
"id": "jvasp-8727",
"created_at": "2022-09-04T14:36:38.657012Z",
"updated_at": "2022-09-04T14:36:38.657036Z",
"structure_string": "Ta1 Pd3\n1.0\n3.595766 -0.000000 -1.572635\n-0.687805 3.529369 -1.572639\n-0.002084 -0.002536 4.892340\nTa Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 -0.000001 Pd\n0.250000 0.750000 0.499999 Pd\n0.750001 0.249999 0.499999 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Pd"
],
"chemical_system": "Pd-Ta",
"density": 13.384278405807127,
"density_atomic": 0.06445480911548476,
"volume": 62.05898450235316,
"volume_molar": 9.343198502395731,
"formula_full": "Ta1 Pd3",
"formula_reduced": "TaPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.803084075,
"spacegroup": 139
},
{
"id": "jvasp-45603",
"created_at": "2022-09-04T14:36:59.749602Z",
"updated_at": "2022-09-04T14:36:59.749622Z",
"structure_string": "Ta4 P4 O20\n1.0\n6.931598 -0.118194 -1.484614\n-3.769616 5.818162 -1.484614\n0.093913 0.169292 9.064290\nTa P O\n4 4 20\ndirect\n0.869533 0.619691 0.249904 Ta\n0.369786 0.619629 0.750097 Ta\n0.869629 0.119787 0.250097 Ta\n0.869690 0.619533 0.749904 Ta\n0.030747 0.030699 0.572134 P\n0.708613 0.208566 0.927867 P\n0.458566 0.458614 0.427867 P\n0.280699 0.780747 0.072134 P\n0.500268 0.963542 0.820798 O\n0.929471 0.892745 0.679203 O\n0.137343 0.840450 0.960833 O\n0.648781 0.351961 0.039028 O\n0.879617 0.176508 0.039168 O\n0.859753 0.062933 0.460973 O\n0.239159 0.275641 0.679272 O\n0.090450 0.887343 0.460833 O\n0.142744 0.679471 0.179203 O\n0.426507 0.629617 0.539167 O\n0.825019 0.825224 0.161048 O\n0.075223 0.575019 0.661048 O\n0.525641 0.989159 0.179272 O\n0.213542 0.250269 0.320798 O\n0.809888 0.346368 0.820729 O\n0.312931 0.609752 0.960973 O\n0.664176 0.663971 0.838953 O\n0.596367 0.559888 0.320729 O\n0.913971 0.414177 0.338953 O\n0.601961 0.398781 0.539028 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ta",
"P",
"O"
],
"chemical_system": "O-P-Ta",
"density": 5.311751303477265,
"density_atomic": 0.07670520689081442,
"volume": 365.0338892880693,
"volume_molar": 7.851019512367892,
"formula_full": "Ta4 P4 O20",
"formula_reduced": "TaPO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 3.170037457142857,
"spacegroup": 70
},
{
"id": "jvasp-11407",
"created_at": "2022-09-04T14:38:16.166397Z",
"updated_at": "2022-09-04T14:38:16.166418Z",
"structure_string": "Ta2 P2 O10\n1.0\n6.496344 -0.000000 -0.000000\n0.000000 6.496344 0.000000\n0.000000 -0.000000 4.010383\nTa P O\n2 2 10\ndirect\n-0.000000 0.500000 0.233576 Ta\n0.500000 0.000000 0.766424 Ta\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.500000 P\n0.694102 0.501449 0.280991 O\n0.001449 0.805897 0.280991 O\n0.500000 0.000000 0.224641 O\n-0.000000 0.500000 0.775358 O\n0.998551 0.194102 0.280991 O\n0.305898 0.498551 0.280991 O\n0.194102 0.001449 0.719008 O\n0.501449 0.305898 0.719008 O\n0.498551 0.694102 0.719008 O\n0.805897 0.998551 0.719008 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ta",
"P",
"O"
],
"chemical_system": "O-P-Ta",
"density": 5.728185117077112,
"density_atomic": 0.08271878697081483,
"volume": 169.24812987090266,
"volume_molar": 7.280257581780975,
"formula_full": "Ta2 P2 O10",
"formula_reduced": "TaPO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 3.157167457142857,
"spacegroup": 129
},
{
"id": "jvasp-95042",
"created_at": "2022-09-04T14:35:44.360588Z",
"updated_at": "2022-09-04T14:35:44.360600Z",
"structure_string": "Ta2 P2 S2\n1.0\n-3.468702 -0.000000 0.000000\n0.000000 -0.000000 -4.772906\n1.734352 -5.962056 2.386454\nTa P S\n2 2 2\ndirect\n0.876837 0.376839 0.753675 Ta\n0.123163 0.623163 0.246325 Ta\n0.500000 0.235762 -0.000000 P\n0.500000 0.764239 -0.000000 P\n0.786586 0.786587 0.573174 S\n0.213414 0.213414 0.426827 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"P",
"S"
],
"chemical_system": "P-S-Ta",
"density": 8.209169446389884,
"density_atomic": 0.06078624658386271,
"volume": 98.70653868588846,
"volume_molar": 9.907077831646761,
"formula_full": "Ta2 P2 S2",
"formula_reduced": "TaPS",
"formula_anonymous": "ABC",
"energy_above_hull": 3.1455382333333324,
"spacegroup": 71
},
{
"id": "jvasp-18780",
"created_at": "2022-09-04T14:37:03.768794Z",
"updated_at": "2022-09-04T14:37:03.768822Z",
"structure_string": "Ta2 Pt4\n1.0\n4.809892 -0.000000 0.000000\n0.000000 4.207591 -2.395969\n0.000000 -0.003794 4.885824\nTa Pt\n2 4\ndirect\n0.750000 0.233188 -0.000000 Ta\n0.250000 0.766812 -0.000000 Ta\n0.250000 0.113681 0.676365 Pt\n0.750000 0.886320 0.323634 Pt\n0.750000 0.562687 0.676365 Pt\n0.250000 0.437314 0.323634 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"Pt"
],
"chemical_system": "Pt-Ta",
"density": 19.190608715937184,
"density_atomic": 0.060706706490490814,
"volume": 98.83586751555775,
"volume_molar": 9.920058438590008,
"formula_full": "Ta2 Pt4",
"formula_reduced": "TaPt2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.286917333333333,
"spacegroup": 63
},
{
"id": "jvasp-18781",
"created_at": "2022-09-04T14:37:05.587244Z",
"updated_at": "2022-09-04T14:37:05.587256Z",
"structure_string": "Ta2 Pt6\n1.0\n4.617653 0.000000 0.000000\n0.000000 4.932377 0.000000\n0.000000 0.000000 5.608711\nTa Pt\n2 6\ndirect\n0.500000 0.660626 0.500000 Ta\n0.000000 0.339375 0.000000 Ta\n0.000000 0.833925 0.250171 Pt\n0.500000 0.166075 0.249829 Pt\n0.000000 0.833925 0.749828 Pt\n0.500000 0.166075 0.750171 Pt\n0.000000 0.342786 0.500000 Pt\n0.500000 0.657215 0.000000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ta",
"Pt"
],
"chemical_system": "Pt-Ta",
"density": 19.919597190664998,
"density_atomic": 0.06262523466129508,
"volume": 127.74403231009883,
"volume_molar": 9.616156797767541,
"formula_full": "Ta2 Pt6",
"formula_reduced": "TaPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.46303835,
"spacegroup": 59
},
{
"id": "jvasp-9643",
"created_at": "2022-09-04T14:37:19.548194Z",
"updated_at": "2022-09-04T14:37:19.548219Z",
"structure_string": "Ta2 Re2 O12\n1.0\n0.000000 5.249364 -0.001754\n7.475376 0.000000 0.000000\n0.000000 -0.005021 -5.417014\nTa Re O\n2 2 12\ndirect\n0.000000 0.000000 0.500000 Ta\n0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 -0.000000 Re\n0.500000 0.500000 -0.000000 Re\n0.219518 0.455387 0.796465 O\n0.701852 0.543911 0.722976 O\n0.780482 0.544614 0.203534 O\n0.298148 0.043910 0.277023 O\n0.904325 0.250000 0.486122 O\n0.298148 0.456090 0.277023 O\n0.701852 0.956090 0.722976 O\n0.219518 0.044613 0.796465 O\n0.413039 0.750000 0.012030 O\n0.780482 0.955387 0.203534 O\n0.586960 0.250000 0.987968 O\n0.095674 0.750000 0.513877 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ta",
"Re",
"O"
],
"chemical_system": "O-Re-Ta",
"density": 7.236059658997494,
"density_atomic": 0.07526969560235203,
"volume": 212.56894786087102,
"volume_molar": 8.000750782645413,
"formula_full": "Ta2 Re2 O12",
"formula_reduced": "TaReO6",
"formula_anonymous": "ABC6",
"energy_above_hull": 3.819501025,
"spacegroup": 11
}
]
}