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=updated_at&page=4430",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=4428",
"results": [
{
"id": "jvasp-118005",
"created_at": "2022-09-04T14:38:49.434110Z",
"updated_at": "2022-09-04T14:38:49.434137Z",
"structure_string": "Cd2 O2\n1.0\n4.015627 -0.458270 -0.618562\n1.181189 -6.085158 -0.153969\n1.763463 -1.848273 -2.979866\nCd O\n2 2\ndirect\n0.158520 0.895071 -0.024156 Cd\n0.840892 0.513973 0.009696 Cd\n0.401761 0.243339 0.858673 O\n0.597618 0.165714 0.126864 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"O"
],
"chemical_system": "Cd-O",
"density": 6.57140075501756,
"density_atomic": 0.0616365969590655,
"volume": 64.89650949835057,
"volume_molar": 9.770397875793602,
"formula_full": "Cd2 O2",
"formula_reduced": "CdO",
"formula_anonymous": "AB",
"energy_above_hull": 0.3698108750000003,
"spacegroup": 2
},
{
"id": "jvasp-113982",
"created_at": "2022-09-04T14:38:49.436975Z",
"updated_at": "2022-09-04T14:38:49.437003Z",
"structure_string": "Na1 B1 C2\n1.0\n3.684636 -0.000000 0.000000\n-0.000000 3.684636 0.000000\n0.000000 -0.000000 4.104574\nNa B C\n1 1 2\ndirect\n0.500001 0.500001 0.499999 Na\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.658308 C\n0.000000 0.000000 0.341691 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"B",
"C"
],
"chemical_system": "B-C-Na",
"density": 1.7230036858897626,
"density_atomic": 0.07177987861207244,
"volume": 55.72592316041131,
"volume_molar": 8.389733831323525,
"formula_full": "Na1 B1 C2",
"formula_reduced": "NaBC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.9927903958333335,
"spacegroup": 123
},
{
"id": "jvasp-116528",
"created_at": "2022-09-04T14:38:49.439815Z",
"updated_at": "2022-09-04T14:38:49.439844Z",
"structure_string": "Mg16 Al12 Pt1\n1.0\n8.487440 -0.011258 2.934718\n-4.064071 7.451181 2.934718\n0.026939 0.045311 9.007916\nMg Al Pt\n16 12 1\ndirect\n0.992892 0.992891 0.009174 Mg\n0.582253 0.334827 0.017198 Mg\n0.317418 0.999197 0.398605 Mg\n0.353163 0.004397 0.004183 Mg\n0.677848 0.298057 0.309565 Mg\n0.007117 0.603337 0.676909 Mg\n0.603337 0.007117 0.676909 Mg\n0.298057 0.677848 0.309565 Mg\n0.714353 0.408304 0.596206 Mg\n0.999197 0.317418 0.398605 Mg\n0.408305 0.714353 0.596206 Mg\n0.334828 0.582253 0.017198 Mg\n0.610359 0.610359 0.328514 Mg\n0.011099 0.011098 0.650445 Mg\n0.695067 0.695066 0.702376 Mg\n0.004397 0.353163 0.004183 Mg\n0.371146 0.184169 0.632734 Al\n0.002299 0.813153 0.361451 Al\n0.007996 0.633461 0.179058 Al\n0.201195 0.820652 0.811634 Al\n0.820652 0.201195 0.811634 Al\n0.651544 0.836241 0.978114 Al\n0.813153 0.002299 0.361451 Al\n0.184169 0.371146 0.632734 Al\n0.364070 0.364070 0.826752 Al\n0.183902 0.183901 0.191055 Al\n0.836241 0.651544 0.978114 Al\n0.633461 0.007996 0.179058 Al\n0.317565 0.317564 0.360648 Pt\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Pt"
],
"chemical_system": "Al-Mg-Pt",
"density": 2.658439291973794,
"density_atomic": 0.051146155645403375,
"volume": 567.0025368291057,
"volume_molar": 11.774376165730892,
"formula_full": "Mg16 Al12 Pt1",
"formula_reduced": "Mg16Al12Pt",
"formula_anonymous": "AB12C16",
"energy_above_hull": 0.4058041310344829,
"spacegroup": 8
},
{
"id": "jvasp-110782",
"created_at": "2022-09-04T14:38:49.441539Z",
"updated_at": "2022-09-04T14:38:49.441558Z",
"structure_string": "Er2 In1 Hg1\n1.0\n4.526310 -0.000000 2.613266\n1.508770 4.267446 2.613266\n-0.000000 -0.000000 5.226532\nEr In Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750001 0.750001 Er\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"In",
"Hg"
],
"chemical_system": "Er-Hg-In",
"density": 10.690230407530928,
"density_atomic": 0.03962178604532276,
"volume": 100.954560590087,
"volume_molar": 15.199064355936315,
"formula_full": "Er2 In1 Hg1",
"formula_reduced": "Er2InHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0329311424999999,
"spacegroup": 225
},
{
"id": "jvasp-113589",
"created_at": "2022-09-04T14:38:49.441925Z",
"updated_at": "2022-09-04T14:38:49.441940Z",
"structure_string": "Ta1 Ag1 S3\n1.0\n4.801705 -0.000000 0.000000\n0.000000 4.801705 0.000000\n-0.000000 -0.000000 4.801705\nTa Ag S\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 S\n0.000000 0.500000 0.000000 S\n0.000000 0.000000 0.500000 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ta",
"Ag",
"S"
],
"chemical_system": "Ag-S-Ta",
"density": 5.774786073288924,
"density_atomic": 0.04516308284459193,
"volume": 110.70989146611649,
"volume_molar": 13.334210998665524,
"formula_full": "Ta1 Ag1 S3",
"formula_reduced": "TaAgS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.520069292,
"spacegroup": 221
},
{
"id": "jvasp-117213",
"created_at": "2022-09-04T14:38:49.443311Z",
"updated_at": "2022-09-04T14:38:49.443337Z",
"structure_string": "Ho4 V2 Fe2 O12\n1.0\n5.578820 0.000000 0.000000\n-0.000000 4.197939 2.974144\n-0.000000 0.003435 9.100418\nHo V Fe O\n4 2 2 12\ndirect\n0.575820 0.727371 0.749514 Ho\n0.075821 0.272631 0.750486 Ho\n0.424179 0.272630 0.250486 Ho\n0.924179 0.727370 0.249514 Ho\n0.000000 0.500000 -0.000000 V\n0.500000 0.500001 0.500000 V\n0.000000 0.000001 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.694469 0.242173 0.448326 O\n0.194470 0.757828 0.051674 O\n0.700062 0.633250 0.053334 O\n0.200063 0.366751 0.446665 O\n0.305530 0.757828 0.551674 O\n0.466527 0.143630 0.749471 O\n0.533473 0.856371 0.250529 O\n0.033473 0.143630 0.249471 O\n0.799937 0.633251 0.553334 O\n0.966527 0.856371 0.750529 O\n0.805530 0.242174 0.948326 O\n0.299937 0.366751 0.946665 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ho",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Ho-O-V",
"density": 8.302179092673276,
"density_atomic": 0.09386557307741948,
"volume": 213.07066418807437,
"volume_molar": 6.415707657836375,
"formula_full": "Ho4 V2 Fe2 O12",
"formula_reduced": "Ho2VFeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.7084141833333337,
"spacegroup": 14
},
{
"id": "jvasp-111272",
"created_at": "2022-09-04T14:38:49.447921Z",
"updated_at": "2022-09-04T14:38:49.447957Z",
"structure_string": "In1 Pb1\n1.0\n3.423363 -0.040897 0.705650\n1.659815 2.994345 0.705650\n0.525417 0.305280 5.941522\nIn Pb\n1 1\ndirect\n0.749884 0.749881 0.250020 In\n0.250110 0.250108 0.749979 Pb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Pb"
],
"chemical_system": "In-Pb",
"density": 8.941414954250261,
"density_atomic": 0.033443136387824424,
"volume": 59.803003426680284,
"volume_molar": 18.007105225311552,
"formula_full": "In1 Pb1",
"formula_reduced": "InPb",
"formula_anonymous": "AB",
"energy_above_hull": 0.1187919399999999,
"spacegroup": 166
},
{
"id": "jvasp-118997",
"created_at": "2022-09-04T14:38:49.448142Z",
"updated_at": "2022-09-04T14:38:49.448167Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n6.381279 -0.020856 4.318684\n5.755791 2.755363 4.318684\n-0.080781 -0.018200 11.526611\nLi Mn Co O\n7 4 1 12\ndirect\n0.659366 0.659362 0.763187 Li\n0.024413 0.024413 0.225199 Li\n0.303800 0.303799 0.787120 Li\n0.684274 0.684271 0.224743 Li\n0.990196 0.990191 0.759212 Li\n0.338587 0.338585 0.238922 Li\n0.668242 0.668239 0.006326 Li\n0.004168 0.004168 0.997623 Mn\n-0.002719 -0.002719 0.501303 Mn\n0.329239 0.329237 0.507140 Mn\n0.671651 0.671648 0.493294 Mn\n0.331266 0.331264 -0.001568 Co\n0.491837 0.491835 0.889425 O\n0.825694 0.825690 0.393320 O\n0.148410 0.148410 0.884923 O\n0.485660 0.485658 0.393125 O\n0.833262 0.833258 0.885385 O\n0.176027 0.176026 0.378971 O\n0.826372 0.826367 0.621970 O\n0.180116 0.180116 0.117869 O\n0.515461 0.515459 0.604238 O\n0.844239 0.844234 0.105078 O\n0.173142 0.173142 0.608591 O\n0.497309 0.497306 0.114596 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.204694970769857,
"density_atomic": 0.11703275872759535,
"volume": 205.0707875378913,
"volume_molar": 5.14568811798848,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 2.787845494396552,
"spacegroup": 8
},
{
"id": "jvasp-113985",
"created_at": "2022-09-04T14:38:49.454206Z",
"updated_at": "2022-09-04T14:38:49.454231Z",
"structure_string": "Cu1 B1 N1\n1.0\n3.479118 0.000000 0.000000\n-1.739559 3.013005 -0.000000\n-0.000000 0.000000 3.480934\nCu B N\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Cu\n0.000000 0.000000 0.000000 B\n0.666668 0.333333 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cu",
"B",
"N"
],
"chemical_system": "B-Cu-N",
"density": 4.021223295904694,
"density_atomic": 0.08221602102570805,
"volume": 36.48923850330744,
"volume_molar": 7.3247776830709705,
"formula_full": "Cu1 B1 N1",
"formula_reduced": "CuBN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.245408761111111,
"spacegroup": 187
},
{
"id": "jvasp-111316",
"created_at": "2022-09-04T14:38:49.454555Z",
"updated_at": "2022-09-04T14:38:49.454581Z",
"structure_string": "Hf1 Al1 Pt2\n1.0\n3.953892 -0.000000 2.282781\n1.317964 3.727765 2.282781\n0.000000 0.000000 4.565561\nHf Al Pt\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Hf\n0.000000 0.000000 0.000000 Al\n0.249999 0.250000 0.250000 Pt\n0.749998 0.750001 0.750000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Pt"
],
"chemical_system": "Al-Hf-Pt",
"density": 14.698233330726287,
"density_atomic": 0.05944187672940096,
"volume": 67.29262634504829,
"volume_molar": 10.131141698999128,
"formula_full": "Hf1 Al1 Pt2",
"formula_reduced": "HfAlPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.83807715,
"spacegroup": 225
},
{
"id": "jvasp-113977",
"created_at": "2022-09-04T14:38:49.461099Z",
"updated_at": "2022-09-04T14:38:49.461127Z",
"structure_string": "B1 C1 N2\n1.0\n1.312367 0.757695 4.439640\n-1.312367 0.757695 4.439640\n0.000000 -1.515391 4.439640\nB C N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 B\n0.500001 0.500001 0.499998 C\n0.403662 0.403662 0.403660 N\n0.596340 0.596340 0.596336 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.1868664188677185,
"density_atomic": 0.15101186514334214,
"volume": 26.487984875911277,
"volume_molar": 3.987859334287221,
"formula_full": "B1 C1 N2",
"formula_reduced": "BCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.328907270833334,
"spacegroup": 166
},
{
"id": "jvasp-116155",
"created_at": "2022-09-04T14:38:49.463104Z",
"updated_at": "2022-09-04T14:38:49.463131Z",
"structure_string": "Mg1 H1 N1\n1.0\n-1.562118 1.562118 2.601193\n1.562118 -1.562118 2.601193\n1.562118 1.562118 -2.601193\nMg H N\n1 1 1\ndirect\n0.953405 0.953405 0.000000 Mg\n0.349738 0.349738 0.000000 H\n0.546853 0.546853 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"H",
"N"
],
"chemical_system": "H-Mg-N",
"density": 2.571570227044998,
"density_atomic": 0.11815742377225648,
"volume": 25.389856212355944,
"volume_molar": 5.096709599565599,
"formula_full": "Mg1 H1 N1",
"formula_reduced": "MgHN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8391774333333328,
"spacegroup": 107
}
]
}