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=created_at&page=4154",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=4152",
"results": [
{
"id": "jvasp-116129",
"created_at": "2022-09-04T14:38:40.850614Z",
"updated_at": "2022-09-04T14:38:40.850637Z",
"structure_string": "Li2 H2 O2\n1.0\n2.490468 -2.490443 0.001904\n2.490468 2.490443 0.001904\n-0.013908 0.000000 4.201126\nLi H O\n2 2 2\ndirect\n0.249956 0.750043 -0.000001 Li\n0.750043 0.249956 -0.000001 Li\n0.250958 0.250958 0.434164 H\n0.749041 0.749041 0.565835 H\n0.250477 0.250477 0.202959 O\n0.749522 0.749522 0.797040 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"H",
"O"
],
"chemical_system": "H-Li-O",
"density": 1.5261602378363182,
"density_atomic": 0.11513221932386353,
"volume": 52.11399584960816,
"volume_molar": 5.230630309539936,
"formula_full": "Li2 H2 O2",
"formula_reduced": "LiHO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1235978333333334,
"spacegroup": 129
},
{
"id": "jvasp-114427",
"created_at": "2022-09-04T14:38:40.852161Z",
"updated_at": "2022-09-04T14:38:40.852183Z",
"structure_string": "As1 S1 F1\n1.0\n4.382406 -0.000000 -0.000000\n-2.191203 3.795275 0.000000\n0.000000 0.000000 2.749535\nAs S F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 As\n0.666667 0.333333 0.000000 S\n0.333334 0.666667 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"As",
"S",
"F"
],
"chemical_system": "As-F-S",
"density": 4.574596962015877,
"density_atomic": 0.06560034798264375,
"volume": 45.73146472932928,
"volume_molar": 9.18004392536654,
"formula_full": "As1 S1 F1",
"formula_reduced": "AsSF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.036814010833333,
"spacegroup": 187
},
{
"id": "jvasp-112599",
"created_at": "2022-09-04T14:38:40.854228Z",
"updated_at": "2022-09-04T14:38:40.854254Z",
"structure_string": "Co12 P4\n1.0\n6.607413 0.000107 -0.717634\n-5.319582 3.919176 -0.717634\n-0.000035 -0.000107 6.646270\nCo P\n12 4\ndirect\n0.466005 0.079714 0.050203 Co\n0.029511 0.415802 0.949798 Co\n0.584198 0.533996 0.613710 Co\n0.920287 0.970490 0.386292 Co\n0.061755 0.665190 0.670406 Co\n0.994784 0.391351 0.329596 Co\n0.608650 0.938245 0.603435 Co\n0.334810 0.005216 0.396566 Co\n0.663193 0.849348 0.973448 Co\n0.875901 0.689747 0.026554 Co\n0.310254 0.336807 0.186154 Co\n0.150652 0.124100 0.813846 Co\n0.469986 0.807810 0.243226 P\n0.564584 0.226760 0.756775 P\n0.773240 0.530015 0.337824 P\n0.192191 0.435416 0.662177 P\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Co",
"P"
],
"chemical_system": "Co-P",
"density": 8.01840037176318,
"density_atomic": 0.09296271427052959,
"volume": 172.11201421506055,
"volume_molar": 6.478017350563847,
"formula_full": "Co12 P4",
"formula_reduced": "Co3P",
"formula_anonymous": "AB3",
"energy_above_hull": 3.1247695500000003,
"spacegroup": 82
},
{
"id": "jvasp-112396",
"created_at": "2022-09-04T14:38:40.855908Z",
"updated_at": "2022-09-04T14:38:40.855934Z",
"structure_string": "Mg2 Mn3 Mo1 S8\n1.0\n6.309117 0.001793 3.736752\n2.127145 5.939524 3.737709\n-0.001357 -0.001606 7.332504\nMg Mn Mo S\n2 3 1 8\ndirect\n0.870143 0.870156 0.870113 Mg\n0.129856 0.129841 0.129889 Mg\n0.499999 0.499998 0.999999 Mn\n0.000001 0.500002 0.499999 Mn\n0.499999 -0.000001 0.500002 Mn\n0.500003 0.499997 0.500000 Mo\n0.735036 0.735034 0.734955 S\n0.260875 0.260846 0.720767 S\n0.260833 0.720740 0.260790 S\n0.720745 0.260826 0.260817 S\n0.739171 0.279258 0.739208 S\n0.279254 0.739170 0.739182 S\n0.264963 0.264963 0.265047 S\n0.739124 0.739152 0.279235 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Mo",
"S"
],
"chemical_system": "Mg-Mn-Mo-S",
"density": 3.419487471391793,
"density_atomic": 0.05094627514456102,
"volume": 274.7992853309635,
"volume_molar": 11.820571264360467,
"formula_full": "Mg2 Mn3 Mo1 S8",
"formula_reduced": "Mg2Mn3MoS8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.779776123152709,
"spacegroup": 166
},
{
"id": "jvasp-116321",
"created_at": "2022-09-04T14:38:40.856300Z",
"updated_at": "2022-09-04T14:38:40.856317Z",
"structure_string": "Mg1 Te1 O2\n1.0\n2.932552 -0.000000 0.000000\n0.000000 2.932552 0.000000\n0.000000 -0.000000 6.296532\nMg Te O\n1 1 2\ndirect\n0.500000 0.500000 0.559306 Mg\n0.000000 0.000000 0.104565 Te\n0.000000 0.000000 0.477658 O\n0.500000 0.500000 0.868471 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Te",
"O"
],
"chemical_system": "Mg-O-Te",
"density": 5.639582344261833,
"density_atomic": 0.07386983567820178,
"volume": 54.14930144728017,
"volume_molar": 8.152367884279824,
"formula_full": "Mg1 Te1 O2",
"formula_reduced": "MgTeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8673034541666665,
"spacegroup": 99
},
{
"id": "jvasp-114461",
"created_at": "2022-09-04T14:38:40.858821Z",
"updated_at": "2022-09-04T14:38:40.858850Z",
"structure_string": "B2 Br1\n1.0\n3.233011 -0.026346 0.171114\n-1.600506 -3.106609 0.024008\n0.332727 -1.844958 -5.037590\nB Br\n2 1\ndirect\n0.731419 0.059233 0.426686 B\n0.223899 0.059854 0.426532 B\n0.865794 0.849981 0.822906 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"Br"
],
"chemical_system": "B-Br",
"density": 3.2650805049808396,
"density_atomic": 0.058101691390938875,
"volume": 51.6336087329096,
"volume_molar": 10.36482865787823,
"formula_full": "B2 Br1",
"formula_reduced": "B2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 2.796566423888889,
"spacegroup": 8
},
{
"id": "jvasp-111759",
"created_at": "2022-09-04T14:38:40.859371Z",
"updated_at": "2022-09-04T14:38:40.859396Z",
"structure_string": "Y6 S2 O2 F10\n1.0\n3.668947 0.000000 0.000000\n0.000000 8.129749 4.596556\n0.000000 -0.004691 9.394382\nY S O F\n6 2 2 10\ndirect\n0.000000 0.584440 0.133004 Y\n0.000000 0.131974 0.270400 Y\n0.000000 0.298470 0.585251 Y\n0.500000 0.403438 0.896187 Y\n0.500000 0.877311 0.715378 Y\n0.500000 0.704916 0.402890 Y\n0.000000 0.670873 0.667653 S\n0.500000 0.326946 0.337962 S\n0.000000 0.383802 0.051655 O\n0.000000 0.563781 0.387363 O\n0.500000 0.622745 0.952658 F\n0.000000 0.843786 0.881001 F\n0.000000 0.887367 0.272913 F\n0.000000 0.272146 0.839275 F\n0.500000 0.143110 0.116805 F\n0.500000 0.120417 0.717448 F\n0.500000 0.731529 0.147829 F\n0.000000 0.047006 0.566047 F\n0.500000 0.430552 0.626181 F\n0.500000 0.955391 0.432101 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Y",
"S",
"O",
"F"
],
"chemical_system": "F-O-S-Y",
"density": 4.85527763917684,
"density_atomic": 0.07135437535850644,
"volume": 280.29115102632204,
"volume_molar": 8.43976382631465,
"formula_full": "Y6 S2 O2 F10",
"formula_reduced": "Y3SOF5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.0765981262499995,
"spacegroup": 6
},
{
"id": "jvasp-114315",
"created_at": "2022-09-04T14:38:40.859456Z",
"updated_at": "2022-09-04T14:38:40.859482Z",
"structure_string": "In2 S2\n1.0\n5.900958 0.672005 -1.715136\n-1.083342 -4.283418 -0.035570\n-0.900531 -4.293225 -4.033791\nIn S\n2 2\ndirect\n-0.121883 -0.220766 0.127555 In\n0.345628 -0.022198 0.892329 In\n0.424048 0.185351 0.353231 S\n0.799706 0.571698 0.666658 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"S"
],
"chemical_system": "In-S",
"density": 5.040313378068124,
"density_atomic": 0.041330142559352495,
"volume": 96.78166471978089,
"volume_molar": 14.570820198241163,
"formula_full": "In2 S2",
"formula_reduced": "InS",
"formula_anonymous": "AB",
"energy_above_hull": 0.1817249849999999,
"spacegroup": 12
},
{
"id": "jvasp-114351",
"created_at": "2022-09-04T14:38:40.861115Z",
"updated_at": "2022-09-04T14:38:40.861140Z",
"structure_string": "Na1 Mg1 O1\n1.0\n7.376019 0.727556 0.000000\n1.554336 2.680735 0.000000\n0.000000 0.000000 3.760892\nNa Mg O\n1 1 1\ndirect\n0.353708 0.229648 0.000000 Na\n-0.102987 -0.127689 0.000000 Mg\n0.076347 0.121266 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Mg",
"O"
],
"chemical_system": "Mg-Na-O",
"density": 1.4990729842991262,
"density_atomic": 0.04278891070113921,
"volume": 70.11162356886379,
"volume_molar": 14.07406886812771,
"formula_full": "Na1 Mg1 O1",
"formula_reduced": "NaMgO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 6
},
{
"id": "jvasp-112397",
"created_at": "2022-09-04T14:38:40.862106Z",
"updated_at": "2022-09-04T14:38:40.862141Z",
"structure_string": "Mn6 Cr4 N8\n1.0\n6.049464 -0.057647 -0.377530\n-3.406327 5.499444 -0.000000\n0.023247 0.014399 5.386984\nMn Cr N\n6 4 8\ndirect\n0.360905 0.086593 0.948682 Mn\n0.639094 0.725686 0.551317 Mn\n0.639094 0.913406 0.051317 Mn\n0.360904 0.274312 0.448682 Mn\n-0.000000 0.675213 0.749999 Mn\n-0.000000 0.324786 0.250000 Mn\n0.684399 0.488591 0.131944 Cr\n0.315599 0.804191 0.368055 Cr\n0.684400 0.195808 0.631944 Cr\n0.315599 0.511408 0.868055 Cr\n0.262511 0.753211 0.021122 N\n0.278963 0.992709 0.608823 N\n0.721035 0.713745 0.891176 N\n0.721035 0.007290 0.391177 N\n0.278964 0.286254 0.108823 N\n0.737487 0.246788 0.978878 N\n0.262512 0.509300 0.521121 N\n0.737487 0.490699 0.478878 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"N"
],
"chemical_system": "Cr-Mn-N",
"density": 6.0529384070953105,
"density_atomic": 0.10099487664816445,
"volume": 178.22686256359862,
"volume_molar": 5.962818075395363,
"formula_full": "Mn6 Cr4 N8",
"formula_reduced": "Mn3(CrN2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 5.601891058237548,
"spacegroup": 15
},
{
"id": "jvasp-112465",
"created_at": "2022-09-04T14:38:40.867294Z",
"updated_at": "2022-09-04T14:38:40.867316Z",
"structure_string": "Ti4 Os8\n1.0\n5.141189 -0.000000 0.000000\n-2.570595 4.452400 0.000000\n0.000000 0.000000 8.357261\nTi Os\n4 8\ndirect\n0.333333 0.666667 0.430396 Ti\n0.666666 0.333333 0.569604 Ti\n0.666666 0.333333 0.930396 Ti\n0.333333 0.666667 0.069604 Ti\n0.000000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.826381 0.173619 0.250000 Os\n0.826380 0.652760 0.250000 Os\n0.347240 0.173619 0.250000 Os\n0.173619 0.826381 0.750000 Os\n0.173619 0.347240 0.750000 Os\n0.652760 0.826381 0.750000 Os\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"Os"
],
"chemical_system": "Os-Ti",
"density": 14.871775846196556,
"density_atomic": 0.06272772498202105,
"volume": 191.30296855879,
"volume_molar": 9.600445037224064,
"formula_full": "Ti4 Os8",
"formula_reduced": "TiOs2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.593359444444445,
"spacegroup": 194
},
{
"id": "jvasp-116241",
"created_at": "2022-09-04T14:38:40.868758Z",
"updated_at": "2022-09-04T14:38:40.868787Z",
"structure_string": "Li2 As1\n1.0\n4.162958 0.000000 0.000000\n0.000000 2.977871 0.000000\n0.000000 0.000000 5.759054\nLi As\n2 1\ndirect\n-0.033329 0.000000 0.770906 Li\n-0.033329 0.000000 0.229094 Li\n0.466657 0.000000 0.000000 As\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"As"
],
"chemical_system": "As-Li",
"density": 2.065478168559418,
"density_atomic": 0.04202059467883172,
"volume": 71.39356363062798,
"volume_molar": 14.331402984721946,
"formula_full": "Li2 As1",
"formula_reduced": "Li2As",
"formula_anonymous": "AB2",
"energy_above_hull": 1.035200583333333,
"spacegroup": 47
}
]
}