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_full&page=3486",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=3484",
"results": [
{
"id": "jvasp-57072",
"created_at": "2022-09-04T14:37:43.849399Z",
"updated_at": "2022-09-04T14:37:43.849417Z",
"structure_string": "Se4 O8\n1.0\n4.550999 0.000000 0.000000\n0.000000 5.164537 0.000000\n0.000000 0.000000 7.378405\nSe O\n4 8\ndirect\n0.744175 0.500000 0.003131 Se\n0.873706 0.000000 0.381032 Se\n0.255825 0.500000 0.503131 Se\n0.126294 0.000000 0.881032 Se\n0.266902 0.000000 0.674294 O\n0.149044 0.251236 0.336430 O\n0.850956 0.251236 0.836430 O\n0.610229 0.500000 0.458484 O\n0.389771 0.500000 0.958485 O\n0.149044 0.748764 0.336430 O\n0.733098 0.000000 0.174294 O\n0.850956 0.748764 0.836430 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Se",
"O"
],
"chemical_system": "O-Se",
"density": 4.249816877236012,
"density_atomic": 0.06919594150563081,
"volume": 173.42057552643462,
"volume_molar": 8.70302597083667,
"formula_full": "Se4 O8",
"formula_reduced": "SeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.593966788888889,
"spacegroup": 26
},
{
"id": "jvasp-25049",
"created_at": "2022-09-04T14:38:13.398210Z",
"updated_at": "2022-09-04T14:38:13.398237Z",
"structure_string": "Se6\n1.0\n5.990791 0.068581 -2.805652\n-4.431327 4.032072 -2.805654\n0.026079 0.068582 6.615178\nSe\n6\ndirect\n0.292592 0.162600 0.913857 Se\n0.913857 0.292592 0.162601 Se\n0.162600 0.913857 0.292592 Se\n0.707407 0.837399 0.086143 Se\n0.086142 0.707407 0.837399 Se\n0.837399 0.086142 0.707408 Se\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 4.794085724583848,
"density_atomic": 0.036563651290435165,
"volume": 164.0973969568943,
"volume_molar": 16.47029371373355,
"formula_full": "Se6",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy_above_hull": 0.0440833666666666,
"spacegroup": 148
},
{
"id": "jvasp-7802",
"created_at": "2022-09-04T14:37:00.392202Z",
"updated_at": "2022-09-04T14:37:00.392213Z",
"structure_string": "Se6\n1.0\n5.990777 0.068588 -2.805643\n-4.431313 4.032068 -2.805645\n0.026082 0.068589 6.615161\nSe\n6\ndirect\n0.292594 0.162602 0.913858 Se\n0.913859 0.292594 0.162603 Se\n0.162602 0.913858 0.292595 Se\n0.707408 0.837399 0.086144 Se\n0.086143 0.707407 0.837400 Se\n0.837399 0.086143 0.707408 Se\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 4.794101045229732,
"density_atomic": 0.0365637681383152,
"volume": 164.09687254614752,
"volume_molar": 16.470241079144667,
"formula_full": "Se6",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy_above_hull": 0.0440833666666666,
"spacegroup": 148
},
{
"id": "jvasp-95416",
"created_at": "2022-09-04T14:36:00.378651Z",
"updated_at": "2022-09-04T14:36:00.378683Z",
"structure_string": "Se8 Br8\n1.0\n4.855045 0.106619 0.000000\n-0.738408 7.388688 0.000000\n0.000000 0.000000 14.091743\nSe Br\n8 8\ndirect\n0.100704 0.381355 0.136444 Se\n0.399295 0.618646 0.636444 Se\n0.899295 0.618646 0.863556 Se\n0.600704 0.381355 0.363556 Se\n0.828392 0.206222 0.038018 Se\n0.671606 0.793779 0.538018 Se\n0.171606 0.793779 0.961981 Se\n0.328393 0.206222 0.461982 Se\n0.863670 0.663523 0.145527 Br\n0.636328 0.336478 0.645527 Br\n0.136329 0.336478 0.854473 Br\n0.363670 0.663523 0.354473 Br\n0.493124 0.042985 0.147149 Br\n0.006875 0.957016 0.647149 Br\n0.506875 0.957016 0.852851 Br\n0.993123 0.042985 0.352851 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Se",
"Br"
],
"chemical_system": "Br-Se",
"density": 4.165692273143591,
"density_atomic": 0.031582215278961115,
"volume": 506.6142402828404,
"volume_molar": 19.068139162523295,
"formula_full": "Se8 Br8",
"formula_reduced": "SeBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.4023937358333333,
"spacegroup": 14
},
{
"id": "jvasp-32341",
"created_at": "2022-09-04T14:38:00.262996Z",
"updated_at": "2022-09-04T14:38:00.263016Z",
"structure_string": "Se8 Cl8\n1.0\n4.761862 0.084093 0.000000\n-0.743733 7.109911 0.000000\n0.000000 0.000000 13.653589\nSe Cl\n8 8\ndirect\n0.092674 0.392603 0.140625 Se\n0.407327 0.607397 0.640625 Se\n0.907327 0.607397 0.859375 Se\n0.592673 0.392603 0.359375 Se\n0.813757 0.204089 0.042919 Se\n0.686243 0.795911 0.542919 Se\n0.186244 0.795911 0.957081 Se\n0.313757 0.204089 0.457081 Se\n0.872968 0.666057 0.146766 Cl\n0.627032 0.333943 0.646766 Cl\n0.127033 0.333943 0.853234 Cl\n0.372968 0.666057 0.353234 Cl\n0.492884 0.050117 0.147562 Cl\n0.007116 0.949883 0.647562 Cl\n0.507116 0.949883 0.852438 Cl\n0.992884 0.050116 0.352438 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Se",
"Cl"
],
"chemical_system": "Cl-Se",
"density": 3.2818984076423576,
"density_atomic": 0.03454861628953383,
"volume": 463.11550847398325,
"volume_molar": 17.430917376058126,
"formula_full": "Se8 Cl8",
"formula_reduced": "SeCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.4128187170833333,
"spacegroup": 14
},
{
"id": "jvasp-31902",
"created_at": "2022-09-04T14:38:35.321128Z",
"updated_at": "2022-09-04T14:38:35.321153Z",
"structure_string": "Se8 N4 Cl12\n1.0\n7.672351 0.000000 -0.420417\n0.000000 8.744914 0.000000\n0.003891 0.000000 8.965000\nSe N Cl\n8 4 12\ndirect\n0.402385 0.531678 0.720181 Se\n0.097615 0.031678 0.279819 Se\n0.542477 0.115341 0.678234 Se\n0.957523 0.615340 0.321765 Se\n0.042477 0.384659 0.678234 Se\n0.597614 0.468321 0.279819 Se\n0.457523 0.884659 0.321766 Se\n0.902385 0.968321 0.720181 Se\n0.307281 0.000682 0.219140 N\n0.692718 -0.000682 0.780859 N\n0.192718 0.500682 0.780859 N\n0.807281 0.499318 0.219140 N\n0.793523 0.161930 0.484811 Cl\n0.206476 0.838070 0.515188 Cl\n0.171675 0.589315 0.160426 Cl\n0.510033 0.309530 0.097943 Cl\n0.328324 0.089316 0.839574 Cl\n0.828324 0.410684 0.839574 Cl\n0.010033 0.190470 0.097944 Cl\n0.671675 0.910684 0.160425 Cl\n0.706476 0.661929 0.515188 Cl\n0.989966 0.809529 0.902056 Cl\n0.489966 0.690470 0.902056 Cl\n0.293524 0.338070 0.484812 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Se",
"N",
"Cl"
],
"chemical_system": "Cl-N-Se",
"density": 3.072948986296705,
"density_atomic": 0.03989942282375253,
"volume": 601.5124606191686,
"volume_molar": 15.093302944760792,
"formula_full": "Se8 N4 Cl12",
"formula_reduced": "Se2NCl3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.5295186976388888,
"spacegroup": 14
},
{
"id": "jvasp-55115",
"created_at": "2022-09-04T14:37:54.384668Z",
"updated_at": "2022-09-04T14:37:54.384685Z",
"structure_string": "Se8 N8\n1.0\n6.227629 0.069179 -1.079161\n-1.169605 6.838723 -0.040668\n0.115078 0.038638 6.937077\nSe N\n8 8\ndirect\n0.558206 0.757316 0.383246 Se\n0.427476 0.240918 0.025211 Se\n0.058206 0.383246 0.757316 Se\n0.572524 0.759082 0.974789 Se\n0.441794 0.242684 0.616754 Se\n0.927476 0.025211 0.240918 Se\n0.941793 0.616754 0.242684 Se\n0.072523 0.974789 0.759082 Se\n0.250000 0.412597 0.587403 N\n0.269912 0.007810 0.592794 N\n0.749999 0.992486 0.007514 N\n0.250000 0.007514 0.992486 N\n0.750000 0.587403 0.412598 N\n0.230089 0.407206 0.992190 N\n0.769911 0.592794 0.007810 N\n0.730088 0.992190 0.407206 N\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Se",
"N"
],
"chemical_system": "N-Se",
"density": 4.159474586333616,
"density_atomic": 0.05388798667738058,
"volume": 296.91218741924126,
"volume_molar": 11.175293662488576,
"formula_full": "Se8 N8",
"formula_reduced": "SeN",
"formula_anonymous": "AB",
"energy_above_hull": 2.591273308333333,
"spacegroup": 15
},
{
"id": "jvasp-14062",
"created_at": "2022-09-04T14:37:14.923465Z",
"updated_at": "2022-09-04T14:37:14.923481Z",
"structure_string": "Se8 O16\n1.0\n8.349397 0.000000 -0.000000\n0.000000 8.349397 0.000000\n-0.000000 0.000000 5.146836\nSe O\n8 16\ndirect\n0.368020 0.290105 0.500000 Se\n0.631980 0.709895 0.500000 Se\n0.709895 0.368020 0.000000 Se\n0.290105 0.631980 0.000000 Se\n0.790105 0.868020 0.000000 Se\n0.868020 0.209895 0.500000 Se\n0.131980 0.790105 0.500000 Se\n0.209895 0.131980 0.000000 Se\n0.866865 0.366865 0.250000 O\n0.633135 0.866865 0.750001 O\n0.633135 0.866865 0.250000 O\n0.866865 0.366865 0.750001 O\n0.133135 0.633135 0.750001 O\n0.366865 0.133135 0.250000 O\n0.173291 0.937248 0.000000 O\n0.326709 0.437247 0.000000 O\n0.062753 0.173291 0.500000 O\n0.826710 0.062753 0.000000 O\n0.133135 0.633135 0.250000 O\n0.673291 0.562753 0.000000 O\n0.437247 0.673291 0.500000 O\n0.562753 0.326709 0.500000 O\n0.937248 0.826710 0.500000 O\n0.366865 0.133135 0.750001 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Se",
"O"
],
"chemical_system": "O-Se",
"density": 4.108187744438896,
"density_atomic": 0.06688992186487486,
"volume": 358.7984457282323,
"volume_molar": 9.003061436019316,
"formula_full": "Se8 O16",
"formula_reduced": "SeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.593090122222223,
"spacegroup": 135
},
{
"id": "jvasp-88712",
"created_at": "2022-09-04T14:35:54.285131Z",
"updated_at": "2022-09-04T14:35:54.285159Z",
"structure_string": "Se8 O16\n1.0\n5.253892 0.000000 0.000000\n0.000000 8.526612 -0.000000\n0.000000 -0.000000 8.612940\nSe O\n8 16\ndirect\n0.000000 0.592742 0.296215 Se\n0.000000 0.092742 0.203785 Se\n0.500000 0.742742 0.194444 Se\n0.000000 0.407258 0.703785 Se\n0.000000 0.907257 0.796215 Se\n0.500000 0.242742 0.305556 Se\n0.500000 0.257258 0.805556 Se\n0.500000 0.757258 0.694444 Se\n0.749376 0.402968 0.852256 O\n0.250624 0.097032 0.352256 O\n0.500000 0.227099 0.114560 O\n0.000000 0.402912 0.335452 O\n0.500000 0.772901 0.885440 O\n0.749376 0.097032 0.352256 O\n0.500000 0.272901 0.614560 O\n0.500000 0.727099 0.385440 O\n0.000000 0.597088 0.664548 O\n0.000000 0.097088 0.835452 O\n0.250624 0.597032 0.147744 O\n0.749376 0.902967 0.647744 O\n0.250624 0.902967 0.647744 O\n0.749376 0.597032 0.147744 O\n0.000000 0.902912 0.164548 O\n0.250624 0.402968 0.852256 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Se",
"O"
],
"chemical_system": "O-Se",
"density": 3.820249888935234,
"density_atomic": 0.06220168903455901,
"volume": 385.84161254312073,
"volume_molar": 9.681635424166894,
"formula_full": "Se8 O16",
"formula_reduced": "SeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.612950122222223,
"spacegroup": 55
},
{
"id": "jvasp-19118",
"created_at": "2022-09-04T14:36:56.012679Z",
"updated_at": "2022-09-04T14:36:56.012694Z",
"structure_string": "Se8 O16\n1.0\n8.350378 0.000000 0.000000\n-0.000000 8.350378 -0.000000\n-0.000000 0.000000 5.146915\nSe O\n8 16\ndirect\n0.367991 0.290126 0.500000 Se\n0.632009 0.709875 0.500000 Se\n0.709875 0.367991 0.000000 Se\n0.290126 0.632009 0.000000 Se\n0.790126 0.867991 0.000000 Se\n0.867991 0.209875 0.500000 Se\n0.132009 0.790126 0.500000 Se\n0.209875 0.132009 0.000000 Se\n0.866822 0.366822 0.250000 O\n0.633178 0.866822 0.749999 O\n0.633178 0.866822 0.250000 O\n0.866822 0.366822 0.749999 O\n0.133178 0.633178 0.749999 O\n0.366822 0.133178 0.250000 O\n0.173296 0.937298 0.000000 O\n0.326704 0.437298 0.000000 O\n0.062702 0.173296 0.500000 O\n0.826704 0.062702 0.000000 O\n0.133178 0.633178 0.250000 O\n0.673296 0.562702 0.000000 O\n0.437298 0.673296 0.500000 O\n0.562702 0.326704 0.500000 O\n0.937298 0.826704 0.500000 O\n0.366822 0.133178 0.749999 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Se",
"O"
],
"chemical_system": "O-Se",
"density": 4.1071595019542,
"density_atomic": 0.06687317991836753,
"volume": 358.88827223854076,
"volume_molar": 9.005315385557052,
"formula_full": "Se8 O16",
"formula_reduced": "SeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.593093455555556,
"spacegroup": 135
},
{
"id": "jvasp-57508",
"created_at": "2022-09-04T14:37:19.624324Z",
"updated_at": "2022-09-04T14:37:19.624353Z",
"structure_string": "Se8 O16\n1.0\n4.566124 0.000000 0.000000\n0.000000 5.164127 0.000000\n0.000000 0.000000 14.671749\nSe O\n8 16\ndirect\n0.528514 0.500000 0.751762 Se\n0.950918 0.500000 0.003838 Se\n0.081476 0.000000 0.193604 Se\n0.330224 0.000000 0.940730 Se\n0.918523 0.000000 0.693604 Se\n0.669776 0.000000 0.440730 Se\n0.049081 0.500000 0.503838 Se\n0.471485 0.500000 0.251762 Se\n0.945417 0.748656 0.419348 O\n0.471326 0.000000 0.837118 O\n0.597070 0.500000 0.982673 O\n0.528673 0.000000 0.337118 O\n0.402929 0.500000 0.482673 O\n0.178765 0.500000 0.724356 O\n0.937115 0.000000 0.090519 O\n0.062884 0.000000 0.590519 O\n0.821234 0.500000 0.224355 O\n0.643227 0.749745 0.670103 O\n0.945417 0.251344 0.419348 O\n0.054582 0.748656 0.919348 O\n0.643227 0.250256 0.670103 O\n0.356772 0.250256 0.170103 O\n0.054582 0.251344 0.919348 O\n0.356772 0.749745 0.170103 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Se",
"O"
],
"chemical_system": "O-Se",
"density": 4.260635009890065,
"density_atomic": 0.06937208341855411,
"volume": 345.960490406448,
"volume_molar": 8.68092821094275,
"formula_full": "Se8 O16",
"formula_reduced": "SeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5947767888888893,
"spacegroup": 26
},
{
"id": "jvasp-25064",
"created_at": "2022-09-04T14:37:56.299556Z",
"updated_at": "2022-09-04T14:37:56.299579Z",
"structure_string": "Si1\n1.0\n1.571935 1.571935 1.571935\n1.571935 -1.571935 -1.571935\n-1.571935 1.571935 -1.571935\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.001701584528449,
"density_atomic": 0.06436299680544148,
"volume": 15.536877548179303,
"volume_molar": 9.356526356601945,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 0.6971699999999998,
"spacegroup": 229
}
]
}