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=-structure_string&page=4511",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=4509",
"results": [
{
"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-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-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-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-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-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-121289",
"created_at": "2022-09-04T14:38:54.009014Z",
"updated_at": "2022-09-04T14:38:54.009042Z",
"structure_string": "As3 H1\n1.0\n5.862707 0.485831 0.977321\n-2.601119 -5.259432 -0.279103\n-1.017492 1.980304 -3.168968\nAs H\n3 1\ndirect\n0.906320 0.005204 0.059338 As\n0.975575 0.466869 0.075381 As\n0.574596 0.110500 0.191650 As\n0.203103 0.244863 0.582829 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"As",
"H"
],
"chemical_system": "As-H",
"density": 4.318030564057986,
"density_atomic": 0.046070730898204536,
"volume": 86.82302021294582,
"volume_molar": 13.071511223267123,
"formula_full": "As3 H1",
"formula_reduced": "As3H",
"formula_anonymous": "AB3",
"energy_above_hull": 2.4177638125,
"spacegroup": 1
},
{
"id": "jvasp-113042",
"created_at": "2022-09-04T14:38:46.065681Z",
"updated_at": "2022-09-04T14:38:46.065707Z",
"structure_string": "As2 Xe4 O2 F20\n1.0\n7.432884 0.092393 -4.294050\n-2.432699 7.024121 -4.294050\n-0.064917 -0.092393 8.583846\nAs Xe O F\n2 4 2 20\ndirect\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 -0.000000 As\n0.499999 0.500000 0.500000 Xe\n-0.000000 0.000000 0.500000 Xe\n0.500000 -0.000000 -0.000000 Xe\n-0.000000 0.500000 -0.000000 Xe\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.645408 0.645408 -0.000001 F\n0.760077 0.260077 0.716315 F\n0.239922 0.739922 0.283685 F\n0.456238 0.956239 0.716315 F\n0.260077 0.543761 0.500000 F\n0.956238 0.239922 0.500000 F\n0.354591 0.354592 -0.000000 F\n0.543761 0.043761 0.283685 F\n0.854591 0.854591 -0.000001 F\n0.313928 0.592911 0.906840 F\n0.407089 0.313929 0.721018 F\n0.592910 0.686071 0.278982 F\n0.739922 0.456238 0.500000 F\n0.907088 0.186071 0.093160 F\n0.686071 0.407089 0.093160 F\n0.092911 0.813929 0.906840 F\n0.813928 0.907089 0.721017 F\n0.186071 0.092911 0.278983 F\n0.145408 0.145408 -0.000000 F\n0.043761 0.760078 0.500000 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"As",
"Xe",
"O",
"F"
],
"chemical_system": "As-F-O-Xe",
"density": 4.063055268651624,
"density_atomic": 0.06302883586993499,
"volume": 444.24110985930673,
"volume_molar": 9.554580339112032,
"formula_full": "As2 Xe4 O2 F20",
"formula_reduced": "AsXe2OF10",
"formula_anonymous": "ABC2D10",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-118867",
"created_at": "2022-09-04T14:38:50.422201Z",
"updated_at": "2022-09-04T14:38:50.422226Z",
"structure_string": "As2 Se2 I2\n1.0\n6.631845 -1.977438 -0.063746\n6.631845 1.977438 -0.063746\n-5.623192 0.000000 6.875036\nAs Se I\n2 2 2\ndirect\n0.137321 0.137321 0.775159 As\n0.862679 0.862679 0.224840 As\n0.188072 0.188072 0.096009 Se\n0.811928 0.811928 0.903990 Se\n0.421789 0.421789 0.641996 I\n0.578210 0.578210 0.358004 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"As",
"Se",
"I"
],
"chemical_system": "As-I-Se",
"density": 5.212430778439932,
"density_atomic": 0.03353797985103323,
"volume": 178.90165199724015,
"volume_molar": 17.956182175398588,
"formula_full": "As2 Se2 I2",
"formula_reduced": "AsSeI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9393271305555556,
"spacegroup": 12
},
{
"id": "jvasp-88465",
"created_at": "2022-09-04T14:35:48.547812Z",
"updated_at": "2022-09-04T14:35:48.547833Z",
"structure_string": "As2 S6 N4 F12\n1.0\n5.452982 0.015695 0.780905\n2.027736 7.319840 0.155981\n-0.003918 0.106379 9.436021\nAs S N F\n2 6 4 12\ndirect\n0.920298 0.224064 0.778928 As\n0.079701 0.775936 0.221072 As\n0.466779 0.200731 0.149521 S\n0.562921 0.740749 0.558845 S\n0.437079 0.259252 0.441156 S\n0.264182 0.644924 0.795002 S\n0.533221 0.799270 0.850479 S\n0.735818 0.355077 0.204998 S\n0.653342 0.818867 0.688843 N\n0.346657 0.181134 0.311157 N\n0.652730 0.350393 0.373647 N\n0.347269 0.649608 0.626354 N\n0.036012 0.580787 0.320379 F\n0.282495 0.627665 0.082925 F\n0.131819 0.966321 0.120615 F\n0.816723 0.778621 0.133038 F\n0.717505 0.372336 0.917075 F\n0.868181 0.033679 0.879385 F\n0.963987 0.419214 0.679621 F\n0.879104 0.923239 0.357779 F\n0.347944 0.765964 0.307322 F\n0.183277 0.221379 0.866962 F\n0.120895 0.076762 0.642221 F\n0.652056 0.234037 0.692679 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"As",
"S",
"N",
"F"
],
"chemical_system": "As-F-N-S",
"density": 2.7624635366069303,
"density_atomic": 0.06375544965122495,
"volume": 376.4384085014273,
"volume_molar": 9.4456878477749,
"formula_full": "As2 S6 N4 F12",
"formula_reduced": "AsS3(NF3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.677414162083333,
"spacegroup": 2
}
]
}