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=-energy_above_hull&page=71",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=69",
"results": [
{
"id": "jvasp-110181",
"created_at": "2022-09-04T14:38:20.469490Z",
"updated_at": "2022-09-04T14:38:20.469512Z",
"structure_string": "Pu1 U1 N2\n1.0\n3.451760 0.000000 0.000000\n0.000000 3.451760 0.000000\n0.000000 -0.000000 4.882355\nPu U N\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Pu\n0.500000 0.500000 -0.000000 U\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pu",
"U",
"N"
],
"chemical_system": "N-Pu-U",
"density": 14.559443114698169,
"density_atomic": 0.06876215100996244,
"volume": 58.17153683020285,
"volume_molar": 8.757929575425145,
"formula_full": "Pu1 U1 N2",
"formula_reduced": "PuUN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.658605625,
"spacegroup": 123
},
{
"id": "jvasp-57790",
"created_at": "2022-09-04T14:37:30.904752Z",
"updated_at": "2022-09-04T14:37:30.904783Z",
"structure_string": "B13 N2\n1.0\n4.673687 0.007467 2.318106\n1.440975 4.446010 2.318106\n0.010253 0.007467 5.216978\nB N\n13 2\ndirect\n0.196456 0.679621 0.196455 B\n0.196455 0.196456 0.679621 B\n0.679621 0.196456 0.196455 B\n0.320379 0.803546 0.803546 B\n0.803545 0.320380 0.803546 B\n0.803546 0.803546 0.320379 B\n0.996110 0.668534 0.996111 B\n0.996111 0.996111 0.668533 B\n0.668533 0.996111 0.996111 B\n0.331468 0.003891 0.003890 B\n0.003891 0.331467 0.003890 B\n0.003890 0.003891 0.331468 B\n0.500000 0.500001 0.500000 B\n0.615248 0.615248 0.615248 N\n0.384753 0.384753 0.384753 N\n",
"nsites": 15,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 2.5871275511035234,
"density_atomic": 0.13864836590782353,
"volume": 108.18735512521171,
"volume_molar": 4.343463206774215,
"formula_full": "B13 N2",
"formula_reduced": "B13N2",
"formula_anonymous": "A2B13",
"energy_above_hull": 5.658276005555556,
"spacegroup": 166
},
{
"id": "jvasp-51116",
"created_at": "2022-09-04T14:36:52.405896Z",
"updated_at": "2022-09-04T14:36:52.405922Z",
"structure_string": "Ir1 Os1 W1\n1.0\n0.000000 2.996768 2.996768\n2.996768 0.000000 2.996768\n2.996768 2.996768 0.000000\nIr Os W\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ir\n0.250000 0.250000 0.250000 Os\n0.000000 0.000000 0.000000 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ir",
"Os",
"W"
],
"chemical_system": "Ir-Os-W",
"density": 17.47013761008246,
"density_atomic": 0.055735498689274555,
"volume": 53.82565995731019,
"volume_molar": 10.804856692093919,
"formula_full": "Ir1 Os1 W1",
"formula_reduced": "IrOsW",
"formula_anonymous": "ABC",
"energy_above_hull": 5.6577820333333335,
"spacegroup": 216
},
{
"id": "jvasp-104934",
"created_at": "2022-09-04T14:36:55.843829Z",
"updated_at": "2022-09-04T14:36:55.843851Z",
"structure_string": "Pu1 U1 N2\n1.0\n3.464916 0.000000 0.000000\n-1.732458 2.827359 1.005124\n-0.000000 -0.001084 5.975270\nPu U N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500001 0.000001 0.500000 U\n0.245509 0.491018 0.263473 N\n0.754492 0.508983 0.736526 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pu",
"U",
"N"
],
"chemical_system": "N-Pu-U",
"density": 14.467586677453472,
"density_atomic": 0.06832832629844716,
"volume": 58.54087487125972,
"volume_molar": 8.813534717206823,
"formula_full": "Pu1 U1 N2",
"formula_reduced": "PuUN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.655003125,
"spacegroup": 166
},
{
"id": "jvasp-101862",
"created_at": "2022-09-04T14:36:31.124827Z",
"updated_at": "2022-09-04T14:36:31.124843Z",
"structure_string": "H24 C28 S2 N4\n1.0\n5.878051 0.000029 -0.000128\n0.000299 7.321886 0.000115\n0.000304 -0.000051 12.605569\nH C S N\n24 28 2 4\ndirect\n0.864035 0.550487 0.378184 H\n0.141201 0.292945 0.239910 H\n0.141218 0.292936 0.074924 H\n0.277615 0.050508 0.936649 H\n0.187754 0.926542 0.757994 H\n0.594471 0.250360 0.967362 H\n0.588209 0.901358 0.657422 H\n0.853306 0.787540 0.657422 H\n0.277600 0.050501 0.378180 H\n0.187745 0.926532 0.556837 H\n0.502856 0.126680 0.526494 H\n0.594459 0.250366 0.347477 H\n0.502862 0.126679 0.788345 H\n0.000381 0.792947 0.074918 H\n0.000398 0.792961 0.239911 H\n0.953929 0.426517 0.556837 H\n0.638776 0.626701 0.526484 H\n0.553477 0.401386 0.657417 H\n0.288411 0.287546 0.657420 H\n0.547137 0.750377 0.347467 H\n0.953923 0.426530 0.757987 H\n0.864019 0.550492 0.936640 H\n0.638774 0.626695 0.788351 H\n0.547126 0.750360 0.967369 H\n0.773250 0.923871 0.657419 C\n0.838262 0.017944 0.554643 C\n0.058049 0.002237 0.513128 C\n0.109322 0.069949 0.412487 C\n0.673914 0.110877 0.494677 C\n0.838269 0.017949 0.760192 C\n0.673922 0.110879 0.820160 C\n0.109335 0.069956 0.902344 C\n0.940549 0.153648 0.962933 C\n0.722925 0.178760 0.920822 C\n0.904097 0.145606 0.157416 C\n0.722914 0.178761 0.394014 C\n0.058058 0.002244 0.801703 C\n0.940535 0.153648 0.351900 C\n0.467719 0.610888 0.494670 C\n0.083600 0.502237 0.801699 C\n0.201079 0.653650 0.351898 C\n0.032313 0.569942 0.412487 C\n0.083608 0.502228 0.513127 C\n0.237495 0.645599 0.157414 C\n0.418699 0.678769 0.394008 C\n0.303393 0.517949 0.554639 C\n0.303389 0.517954 0.760190 C\n0.467714 0.610886 0.820162 C\n0.418689 0.678760 0.920824 C\n0.201064 0.653645 0.962931 C\n0.032300 0.569946 0.902338 C\n0.368430 0.423884 0.657416 C\n0.439251 0.478716 0.157416 S\n0.702330 0.978747 0.157416 S\n0.995543 0.215343 0.066906 N\n0.146055 0.715342 0.066904 N\n0.146074 0.715357 0.247925 N\n0.995527 0.215350 0.247926 N\n",
"nsites": 58,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.4711485585049393,
"density_atomic": 0.10690775921530221,
"volume": 542.523764652044,
"volume_molar": 5.633024959275382,
"formula_full": "H24 C28 S2 N4",
"formula_reduced": "H12C14SN2",
"formula_anonymous": "AB2C12D14",
"energy_above_hull": 5.651116086206897,
"spacegroup": 26
},
{
"id": "jvasp-36548",
"created_at": "2022-09-04T14:37:27.849793Z",
"updated_at": "2022-09-04T14:37:27.849815Z",
"structure_string": "Cr6 N8\n1.0\n-0.000000 4.805240 3.397819\n4.805240 0.000000 -3.397819\n-4.805240 -0.000000 -3.397819\nCr N\n6 8\ndirect\n0.125000 0.250000 0.875000 Cr\n0.375000 0.750000 0.625000 Cr\n0.250000 0.125000 0.375000 Cr\n0.750000 0.375000 0.125000 Cr\n0.875000 0.625000 0.750000 Cr\n0.625000 0.875000 0.250000 Cr\n0.438224 0.938224 0.438224 N\n0.000000 0.561777 0.500000 N\n0.500000 0.500000 0.061776 N\n0.061776 -0.000000 -0.000000 N\n0.000000 0.061777 0.500000 N\n0.938224 0.438224 0.938224 N\n0.500000 0.500000 0.561776 N\n0.561776 -0.000000 -0.000000 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 4.487303899677533,
"density_atomic": 0.08922111212015353,
"volume": 156.91353388586197,
"volume_molar": 6.749681344354933,
"formula_full": "Cr6 N8",
"formula_reduced": "Cr3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 5.650409314285714,
"spacegroup": 220
},
{
"id": "jvasp-86718",
"created_at": "2022-09-04T14:36:10.300152Z",
"updated_at": "2022-09-04T14:36:10.300180Z",
"structure_string": "Sm2 C3 N6\n1.0\n3.742729 -0.000000 -1.001220\n-0.141553 5.294872 -0.529148\n0.015821 0.002477 7.555231\nSm C N\n2 3 6\ndirect\n0.865685 0.928914 0.731370 Sm\n0.134315 0.071086 0.268630 Sm\n0.328116 0.405371 0.656229 C\n0.671885 0.594629 0.343771 C\n0.000000 0.500000 -0.000000 C\n0.988282 0.267820 0.976562 N\n0.689744 0.828772 0.379485 N\n0.657220 0.365551 0.314441 N\n0.011718 0.732180 0.023437 N\n0.310257 0.171228 0.620515 N\n0.342780 0.634450 0.685559 N\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Sm",
"C",
"N"
],
"chemical_system": "C-N-Sm",
"density": 4.664089038180462,
"density_atomic": 0.07342477698922371,
"volume": 149.81318910392372,
"volume_molar": 8.201782840802972,
"formula_full": "Sm2 C3 N6",
"formula_reduced": "Sm2(CN2)3",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 5.650036113636363,
"spacegroup": 12
},
{
"id": "jvasp-86117",
"created_at": "2022-09-04T14:35:42.246627Z",
"updated_at": "2022-09-04T14:35:42.246647Z",
"structure_string": "Sm2 C3 N6\n1.0\n3.742797 -0.000000 -1.001239\n-0.141600 5.294846 -0.529323\n0.015780 0.002220 7.555211\nSm C N\n2 3 6\ndirect\n0.865683 0.928913 0.731367 Sm\n0.134317 0.071088 0.268633 Sm\n0.328118 0.405373 0.656235 C\n0.671882 0.594627 0.343765 C\n-0.000000 0.500000 0.000000 C\n0.988289 0.267814 0.976575 N\n0.689738 0.828776 0.379474 N\n0.657219 0.365544 0.314438 N\n0.011712 0.732187 0.023426 N\n0.310263 0.171225 0.620527 N\n0.342782 0.634457 0.685562 N\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Sm",
"C",
"N"
],
"chemical_system": "C-N-Sm",
"density": 4.664063236619985,
"density_atomic": 0.07342437080619237,
"volume": 149.8140178692862,
"volume_molar": 8.201828212999972,
"formula_full": "Sm2 C3 N6",
"formula_reduced": "Sm2(CN2)3",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 5.650032477272727,
"spacegroup": 12
},
{
"id": "jvasp-92680",
"created_at": "2022-09-04T14:36:22.681146Z",
"updated_at": "2022-09-04T14:36:22.681163Z",
"structure_string": "U2 Rh1 C2\n1.0\n3.470024 -0.000000 -0.000000\n-0.000000 3.470024 -0.000000\n-1.735011 -1.735011 6.272637\nU Rh C\n2 1 2\ndirect\n0.645867 0.645867 0.291734 U\n0.354133 0.354133 0.708267 U\n0.000000 0.000000 0.000000 Rh\n0.829255 0.829255 0.658510 C\n0.170745 0.170745 0.341490 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Rh",
"C"
],
"chemical_system": "C-Rh-U",
"density": 13.256848461116098,
"density_atomic": 0.06619952782088713,
"volume": 75.52923962733176,
"volume_molar": 9.096954250631237,
"formula_full": "U2 Rh1 C2",
"formula_reduced": "U2RhC2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 5.650029,
"spacegroup": 139
},
{
"id": "jvasp-106729",
"created_at": "2022-09-04T14:36:49.613349Z",
"updated_at": "2022-09-04T14:36:49.613372Z",
"structure_string": "Ta2 Mn1 V3\n1.0\n4.318070 -0.005555 2.385182\n1.404822 4.083165 2.385182\n-0.007797 -0.005555 4.933027\nTa Mn V\n2 1 3\ndirect\n0.625594 0.625592 0.625595 Ta\n0.374406 0.374405 0.374407 Ta\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.499999 0.000000 V\n0.500000 -0.000001 0.000000 V\n-0.000000 -0.000001 0.500001 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"V"
],
"chemical_system": "Mn-Ta-V",
"density": 10.856740558470804,
"density_atomic": 0.06886319671281516,
"volume": 87.12926913663631,
"volume_molar": 8.745078717612461,
"formula_full": "Ta2 Mn1 V3",
"formula_reduced": "Ta2MnV3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.646596373563218,
"spacegroup": 166
},
{
"id": "jvasp-36554",
"created_at": "2022-09-04T14:37:27.543123Z",
"updated_at": "2022-09-04T14:37:27.543149Z",
"structure_string": "Cr6 N8\n1.0\n-4.025176 -4.025176 -0.000000\n-4.025176 0.000000 -4.025176\n0.000000 -4.025176 -4.025176\nCr N\n6 8\ndirect\n0.625001 0.125000 0.125000 Cr\n0.375000 0.875001 0.875001 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.752919 0.741244 0.252919 N\n0.752919 0.252919 0.741244 N\n0.752919 0.252919 0.252919 N\n0.241244 0.252919 0.252919 N\n0.247081 0.258757 0.747082 N\n0.247081 0.747082 0.258757 N\n0.247081 0.747082 0.747082 N\n0.758757 0.747082 0.747082 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 5.398352839141782,
"density_atomic": 0.10733550806751246,
"volume": 130.4321398580813,
"volume_molar": 5.610576470381229,
"formula_full": "Cr6 N8",
"formula_reduced": "Cr3N4",
"formula_anonymous": "A3B4",
"energy_above_hull": 5.644940742857143,
"spacegroup": 227
},
{
"id": "jvasp-112031",
"created_at": "2022-09-04T14:38:43.466327Z",
"updated_at": "2022-09-04T14:38:43.466353Z",
"structure_string": "H6 C13 S3 O1\n1.0\n3.574016 0.191502 1.235230\n1.101883 5.768145 1.206630\n0.678452 0.391818 12.847676\nH C S O\n6 13 3 1\ndirect\n0.450648 0.132065 0.138072 H\n0.400996 0.089082 0.783358 H\n0.893187 0.901615 0.632648 H\n0.394962 0.126090 0.980472 H\n0.454463 0.094662 0.343078 H\n0.898277 0.901858 0.430156 H\n0.078516 0.622575 0.042393 C\n0.134667 0.523294 0.645195 C\n0.139315 0.523358 0.448862 C\n0.171157 0.469487 0.755922 C\n0.166989 0.505947 0.145571 C\n0.180190 0.469714 0.341549 C\n0.995521 0.744014 0.483636 C\n0.992835 0.743922 0.592675 C\n0.331247 0.278773 0.186189 C\n0.306426 0.256003 0.815601 C\n0.336105 0.258376 0.297093 C\n0.298997 0.276158 0.923276 C\n0.154592 0.505639 0.947027 C\n0.270975 0.313708 0.555719 S\n0.030140 0.696850 0.834796 S\n0.025735 0.694516 0.244632 S\n0.923163 0.840083 0.035667 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.7775745696963254,
"density_atomic": 0.08973302549058665,
"volume": 256.3158867569086,
"volume_molar": 6.711175430757927,
"formula_full": "H6 C13 S3 O1",
"formula_reduced": "H6C13S3O",
"formula_anonymous": "AB3C6D13",
"energy_above_hull": 5.644565804347826,
"spacegroup": 1
}
]
}