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=135",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=133",
"results": [
{
"id": "jvasp-12758",
"created_at": "2022-09-04T14:38:10.580689Z",
"updated_at": "2022-09-04T14:38:10.580712Z",
"structure_string": "As3 H5 O10\n1.0\n4.751294 -0.037874 -0.095549\n-1.158633 5.603406 -0.004733\n-0.765025 -1.526353 7.028252\nAs H O\n3 5 10\ndirect\n0.500001 0.500001 0.500000 As\n0.892327 0.238877 0.227741 As\n0.107674 0.761125 0.772259 As\n0.776287 0.828951 0.099974 H\n0.223715 0.171051 0.900026 H\n0.000000 0.500000 0.000000 H\n0.446179 0.798275 0.324885 H\n0.553822 0.201726 0.675115 H\n0.316268 0.698233 0.394246 O\n0.683733 0.301769 0.605754 O\n0.176033 0.230144 0.399139 O\n0.823969 0.769858 0.600861 O\n0.008968 0.296852 0.022461 O\n0.327210 0.059037 0.822013 O\n0.672791 0.940965 0.177987 O\n0.334096 0.566620 0.724659 O\n0.665906 0.433382 0.275341 O\n0.991034 0.703150 0.977539 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"As",
"H",
"O"
],
"chemical_system": "As-H-O",
"density": 3.4763371666865828,
"density_atomic": 0.09667298657545774,
"volume": 186.19472344479775,
"volume_molar": 6.229393518632468,
"formula_full": "As3 H5 O10",
"formula_reduced": "As3(HO2)5",
"formula_anonymous": "A3B5C10",
"energy_above_hull": 3.0069633472222224,
"spacegroup": 2
},
{
"id": "jvasp-115424",
"created_at": "2022-09-04T14:38:46.572886Z",
"updated_at": "2022-09-04T14:38:46.572908Z",
"structure_string": "As3 N1\n1.0\n4.529956 0.080990 -0.884920\n-1.723211 -2.262148 -0.142096\n0.753891 -0.441561 -7.801254\nAs N\n3 1\ndirect\n0.069730 -0.261501 0.051606 As\n0.428203 0.114686 0.446892 As\n0.735376 0.399626 0.681928 As\n0.253464 0.407364 0.141736 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"As",
"N"
],
"chemical_system": "As-N",
"density": 5.191102534928238,
"density_atomic": 0.05237065592122006,
"volume": 76.37865002143768,
"volume_molar": 11.499074537196867,
"formula_full": "As3 N1",
"formula_reduced": "As3N",
"formula_anonymous": "AB3",
"energy_above_hull": 3.1224371250000003,
"spacegroup": 1
},
{
"id": "jvasp-63521",
"created_at": "2022-09-04T14:36:21.191902Z",
"updated_at": "2022-09-04T14:36:21.191925Z",
"structure_string": "As3 Pd6\n1.0\n3.389689 -5.871112 -0.000000\n3.389689 5.871112 -0.000000\n-0.000000 -0.000000 3.639023\nAs Pd\n3 6\ndirect\n0.666667 0.333333 0.000000 As\n0.333333 0.666667 0.000000 As\n0.000000 0.000000 0.500000 As\n0.268724 0.000000 0.000000 Pd\n0.731276 0.731276 0.000000 Pd\n0.000000 0.268724 0.000000 Pd\n0.608751 0.000000 0.500000 Pd\n0.391250 0.391250 0.500000 Pd\n0.000000 0.608751 0.500000 Pd\n",
"nsites": 9,
"nelements": 2,
"elements": [
"As",
"Pd"
],
"chemical_system": "As-Pd",
"density": 9.897104966212153,
"density_atomic": 0.062136601176413106,
"volume": 144.84216757282786,
"volume_molar": 9.691776901189744,
"formula_full": "As3 Pd6",
"formula_reduced": "AsPd2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5706010499999996,
"spacegroup": 189
},
{
"id": "jvasp-11997",
"created_at": "2022-09-04T14:36:47.660712Z",
"updated_at": "2022-09-04T14:36:47.660732Z",
"structure_string": "As4\n1.0\n3.542312 0.000000 -1.175403\n-0.000000 4.607788 -0.000000\n-0.006730 -0.000000 5.905146\nAs\n4\ndirect\n0.890932 0.934497 0.781866 As\n0.109068 0.065504 0.218135 As\n0.609068 0.434497 0.218136 As\n0.390932 0.565504 0.781865 As\n",
"nsites": 4,
"nelements": 1,
"elements": [
"As"
],
"chemical_system": "As",
"density": 5.165001595613112,
"density_atomic": 0.04151588680054318,
"volume": 96.34865850794412,
"volume_molar": 14.505629589300277,
"formula_full": "As4",
"formula_reduced": "As",
"formula_anonymous": "A",
"energy_above_hull": 0.02549175,
"spacegroup": 64
},
{
"id": "jvasp-25145",
"created_at": "2022-09-04T14:37:44.768037Z",
"updated_at": "2022-09-04T14:37:44.768065Z",
"structure_string": "As4\n1.0\n3.542312 -0.000000 -1.175403\n0.000000 4.607788 -0.000000\n-0.006730 0.000000 5.905146\nAs\n4\ndirect\n0.890932 0.934497 0.781866 As\n0.109068 0.065504 0.218135 As\n0.609068 0.434497 0.218136 As\n0.390932 0.565504 0.781865 As\n",
"nsites": 4,
"nelements": 1,
"elements": [
"As"
],
"chemical_system": "As",
"density": 5.165001595613112,
"density_atomic": 0.04151588680054318,
"volume": 96.34865850794412,
"volume_molar": 14.505629589300277,
"formula_full": "As4",
"formula_reduced": "As",
"formula_anonymous": "A",
"energy_above_hull": 0.02549175,
"spacegroup": 64
},
{
"id": "jvasp-14843",
"created_at": "2022-09-04T14:35:45.703398Z",
"updated_at": "2022-09-04T14:35:45.703423Z",
"structure_string": "As4\n1.0\n3.542312 -0.000000 -1.175403\n-0.000000 4.607788 0.000000\n-0.006730 -0.000000 5.905146\nAs\n4\ndirect\n0.890932 0.934497 0.781866 As\n0.109068 0.065504 0.218135 As\n0.609068 0.434497 0.218136 As\n0.390932 0.565504 0.781865 As\n",
"nsites": 4,
"nelements": 1,
"elements": [
"As"
],
"chemical_system": "As",
"density": 5.165001595613112,
"density_atomic": 0.04151588680054318,
"volume": 96.34865850794412,
"volume_molar": 14.505629589300277,
"formula_full": "As4",
"formula_reduced": "As",
"formula_anonymous": "A",
"energy_above_hull": 0.02549175,
"spacegroup": 64
},
{
"id": "jvasp-4255",
"created_at": "2022-09-04T14:37:39.070416Z",
"updated_at": "2022-09-04T14:37:39.070445Z",
"structure_string": "As4 Br12\n1.0\n4.122976 0.000000 0.000000\n0.000000 10.214315 0.000000\n0.000000 0.000000 12.210577\nAs Br\n4 12\ndirect\n0.491049 0.303717 0.288711 As\n-0.008951 0.196282 0.711290 As\n0.508952 0.803717 0.211289 As\n0.008951 0.696282 0.788711 As\n0.779853 0.135584 0.384415 Br\n0.279853 0.364416 0.615585 Br\n0.220148 0.635584 0.115585 Br\n0.720148 0.864416 0.884415 Br\n0.758492 0.488084 0.368662 Br\n0.258492 0.011916 0.631338 Br\n0.241508 0.988084 0.131338 Br\n0.741509 0.511916 0.868662 Br\n0.782251 0.300589 0.118073 Br\n0.282250 0.199411 0.881927 Br\n0.217750 0.800588 0.381927 Br\n0.717751 0.699411 0.618073 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"As",
"Br"
],
"chemical_system": "As-Br",
"density": 4.064039757456962,
"density_atomic": 0.031114565618039335,
"volume": 514.2286155113044,
"volume_molar": 19.35473190893121,
"formula_full": "As4 Br12",
"formula_reduced": "AsBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.40727601625,
"spacegroup": 19
},
{
"id": "jvasp-56106",
"created_at": "2022-09-04T14:37:28.161374Z",
"updated_at": "2022-09-04T14:37:28.161394Z",
"structure_string": "As4 C3\n1.0\n4.625614 -0.000000 -0.000000\n0.000000 4.625614 0.000000\n-0.000000 0.000000 4.625614\nAs C\n4 3\ndirect\n0.728926 0.271073 0.271073 As\n0.271073 0.271073 0.728926 As\n0.271073 0.728926 0.271073 As\n0.728926 0.728926 0.728926 As\n0.000000 0.000000 0.500000 C\n0.500000 0.000000 0.000000 C\n0.000000 0.500000 0.000000 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"As",
"C"
],
"chemical_system": "As-C",
"density": 5.632694604602941,
"density_atomic": 0.07072775508383854,
"volume": 98.97104738730096,
"volume_molar": 8.514536836156521,
"formula_full": "As4 C3",
"formula_reduced": "As4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.585081,
"spacegroup": 215
},
{
"id": "jvasp-4273",
"created_at": "2022-09-04T14:37:17.211498Z",
"updated_at": "2022-09-04T14:37:17.211518Z",
"structure_string": "As4 Cl12\n1.0\n4.086803 0.000000 0.000000\n0.000000 9.462370 0.000000\n0.000000 0.000000 11.400438\nAs Cl\n4 12\ndirect\n-0.005166 0.698036 0.787697 As\n0.494833 0.801964 0.212303 As\n0.005166 0.198036 0.712303 As\n0.505166 0.301964 0.287697 As\n0.254703 0.515135 0.867764 Cl\n0.754702 0.984865 0.132236 Cl\n0.745296 0.015135 0.632236 Cl\n0.245297 0.484865 0.367764 Cl\n0.226779 0.297287 0.120063 Cl\n0.726778 0.202713 0.879937 Cl\n0.773220 0.797287 0.379937 Cl\n0.273221 0.702713 0.620063 Cl\n0.232409 0.132748 0.383313 Cl\n0.732409 0.367252 0.616687 Cl\n0.767590 0.632748 0.116687 Cl\n0.267590 0.867252 0.883313 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"As",
"Cl"
],
"chemical_system": "As-Cl",
"density": 2.731210995703318,
"density_atomic": 0.0362923270710029,
"volume": 440.8645378042951,
"volume_molar": 16.59342689218629,
"formula_full": "As4 Cl12",
"formula_reduced": "AsCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.478570988125,
"spacegroup": 19
},
{
"id": "jvasp-13808",
"created_at": "2022-09-04T14:37:48.816360Z",
"updated_at": "2022-09-04T14:37:48.816381Z",
"structure_string": "As4 Cl12 O4\n1.0\n0.000000 8.100220 -0.004725\n6.096193 0.000000 0.000000\n0.000000 -3.855546 -9.448018\nAs Cl O\n4 12 4\ndirect\n0.661749 0.560723 0.987416 As\n0.338250 0.060723 0.512584 As\n0.338251 0.439276 0.012584 As\n0.661749 0.939276 0.487416 As\n0.797196 0.879585 0.987502 Cl\n0.202803 0.379585 0.512498 Cl\n0.202804 0.120415 0.012498 Cl\n0.797196 0.620415 0.487502 Cl\n0.885888 0.428577 0.163452 Cl\n0.114111 0.928577 0.336547 Cl\n0.114111 0.571422 0.836547 Cl\n0.885888 0.071423 0.663452 Cl\n0.655708 0.457266 0.783326 Cl\n0.344291 0.957266 0.716674 Cl\n0.344292 0.542734 0.216674 Cl\n0.655708 0.042734 0.283326 Cl\n0.478199 0.694906 0.005632 O\n0.521801 0.194907 0.494368 O\n0.521801 0.305093 0.994368 O\n0.478198 0.805093 0.505632 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"As",
"Cl",
"O"
],
"chemical_system": "As-Cl-O",
"density": 2.8079705366225647,
"density_atomic": 0.04285785134660775,
"volume": 466.65895213113674,
"volume_molar": 14.051429483239037,
"formula_full": "As4 Cl12 O4",
"formula_reduced": "AsCl3O",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.9467374904999998,
"spacegroup": 14
},
{
"id": "jvasp-59051",
"created_at": "2022-09-04T14:38:36.185681Z",
"updated_at": "2022-09-04T14:38:36.185700Z",
"structure_string": "As4 Cl12 O4\n1.0\n0.000000 8.100262 -0.004705\n6.096153 0.000000 0.000000\n0.000000 -3.855589 -9.447989\nAs Cl O\n4 12 4\ndirect\n0.661749 0.560725 0.987420 As\n0.338250 0.060725 0.512580 As\n0.338250 0.439275 0.012580 As\n0.661749 0.939274 0.487419 As\n0.797196 0.879585 0.987503 Cl\n0.202804 0.379585 0.512497 Cl\n0.202804 0.120414 0.012497 Cl\n0.797196 0.620414 0.487503 Cl\n0.885887 0.428582 0.163456 Cl\n0.114112 0.928582 0.336543 Cl\n0.114112 0.571417 0.836543 Cl\n0.885887 0.071418 0.663456 Cl\n0.655709 0.457263 0.783328 Cl\n0.344291 0.957263 0.716671 Cl\n0.344291 0.542736 0.216671 Cl\n0.655709 0.042736 0.283328 Cl\n0.478199 0.694906 0.005633 O\n0.521801 0.194907 0.494367 O\n0.521801 0.305093 0.994367 O\n0.478198 0.805093 0.505633 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"As",
"Cl",
"O"
],
"chemical_system": "As-Cl-O",
"density": 2.807985843166095,
"density_atomic": 0.04285808496927533,
"volume": 466.6564083378402,
"volume_molar": 14.051352887832557,
"formula_full": "As4 Cl12 O4",
"formula_reduced": "AsCl3O",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.9467374904999998,
"spacegroup": 14
},
{
"id": "jvasp-55665",
"created_at": "2022-09-04T14:38:06.587436Z",
"updated_at": "2022-09-04T14:38:06.587464Z",
"structure_string": "As4 Cl8 F12\n1.0\n8.584784 -0.000000 0.000000\n0.000000 8.584784 -0.000000\n-0.000000 -0.000000 6.238052\nAs Cl F\n4 8 12\ndirect\n-0.000000 0.500000 0.678456 As\n0.500000 0.000000 0.321544 As\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.000000 As\n0.046434 0.808212 0.199114 Cl\n0.808212 0.953566 0.800885 Cl\n0.453566 0.691788 0.800885 Cl\n0.308212 0.453566 0.199114 Cl\n0.191788 0.046434 0.800885 Cl\n0.691788 0.546433 0.199114 Cl\n0.953566 0.191788 0.199114 Cl\n0.546433 0.308212 0.800885 Cl\n-0.000000 0.500000 0.959956 F\n-0.000000 0.500000 0.392628 F\n0.500000 0.000000 0.607371 F\n0.923719 0.307280 0.675780 F\n0.807280 0.576280 0.675780 F\n0.192719 0.423719 0.675780 F\n0.076280 0.692719 0.675780 F\n0.576280 0.192719 0.324219 F\n0.692719 0.923719 0.324219 F\n0.307280 0.076280 0.324219 F\n0.500000 0.000000 0.040043 F\n0.423719 0.807280 0.324219 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"As",
"Cl",
"F"
],
"chemical_system": "As-Cl-F",
"density": 2.9303409063684636,
"density_atomic": 0.052203966961619094,
"volume": 459.7351771685292,
"volume_molar": 11.53579145513509,
"formula_full": "As4 Cl8 F12",
"formula_reduced": "AsCl2F3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1433462839062502,
"spacegroup": 85
}
]
}