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=105",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=103",
"results": [
{
"id": "jvasp-86345",
"created_at": "2022-09-04T14:36:00.257695Z",
"updated_at": "2022-09-04T14:36:00.257714Z",
"structure_string": "Re3 P4\n1.0\n2.969510 -0.000000 -0.735462\n-0.597259 5.564867 -2.411499\n-0.000467 0.013364 6.360711\nRe P\n3 4\ndirect\n0.263818 0.318760 0.527638 Re\n0.736180 0.681240 0.472362 Re\n0.000000 0.000000 0.000000 Re\n0.086313 0.436126 0.172627 P\n0.913685 0.563873 0.827373 P\n0.352022 0.024924 0.704044 P\n0.647977 0.975076 0.295956 P\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Re",
"P"
],
"chemical_system": "P-Re",
"density": 10.772218338248562,
"density_atomic": 0.06653363058646074,
"volume": 105.20995079177995,
"volume_molar": 9.051273328868175,
"formula_full": "Re3 P4",
"formula_reduced": "Re3P4",
"formula_anonymous": "A3B4",
"energy_above_hull": 5.284008,
"spacegroup": 12
},
{
"id": "jvasp-85846",
"created_at": "2022-09-04T14:36:15.839989Z",
"updated_at": "2022-09-04T14:36:15.840010Z",
"structure_string": "Re3 P4\n1.0\n2.969504 -0.000000 -0.735461\n-0.597260 5.564835 -2.411506\n-0.000457 0.013371 6.360740\nRe P\n3 4\ndirect\n0.263817 0.318756 0.527636 Re\n0.736180 0.681243 0.472363 Re\n0.000000 0.000000 0.000000 Re\n0.086312 0.436131 0.172625 P\n0.913685 0.563868 0.827374 P\n0.352023 0.024926 0.704047 P\n0.647975 0.975073 0.295952 P\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Re",
"P"
],
"chemical_system": "P-Re",
"density": 10.772243254605744,
"density_atomic": 0.06653378448008342,
"volume": 105.2097074396154,
"volume_molar": 9.051252393139757,
"formula_full": "Re3 P4",
"formula_reduced": "Re3P4",
"formula_anonymous": "A3B4",
"energy_above_hull": 5.284008,
"spacegroup": 12
},
{
"id": "jvasp-34450",
"created_at": "2022-09-04T14:37:08.948402Z",
"updated_at": "2022-09-04T14:37:08.948422Z",
"structure_string": "B12 S1\n1.0\n4.777168 -0.062155 1.848667\n1.245169 4.612456 1.848667\n-0.082263 -0.062155 5.121731\nB S\n12 1\ndirect\n0.187029 0.187028 0.715477 B\n0.670199 0.990098 0.990100 B\n0.812972 0.812971 0.284524 B\n0.990101 0.670197 0.990100 B\n0.284524 0.812971 0.812972 B\n0.009901 0.329802 0.009901 B\n0.812973 0.284522 0.812972 B\n0.187029 0.715477 0.187029 B\n0.715478 0.187028 0.187029 B\n0.329802 0.009901 0.009901 B\n0.009901 0.009901 0.329802 B\n0.990100 0.990098 0.670199 B\n0.500001 0.499999 0.500000 S\n",
"nsites": 13,
"nelements": 2,
"elements": [
"B",
"S"
],
"chemical_system": "B-S",
"density": 2.3491774144909923,
"density_atomic": 0.11366836334861902,
"volume": 114.36779431871656,
"volume_molar": 5.297991967677226,
"formula_full": "B12 S1",
"formula_reduced": "B12S",
"formula_anonymous": "AB12",
"energy_above_hull": 5.2825946923076925,
"spacegroup": 166
},
{
"id": "jvasp-42000",
"created_at": "2022-09-04T14:37:36.355507Z",
"updated_at": "2022-09-04T14:37:36.355536Z",
"structure_string": "Sc1 Tc2 W1\n1.0\n0.000000 3.159631 3.159634\n3.159629 0.000001 3.159632\n3.159629 3.159630 0.000001\nSc Tc W\n1 2 1\ndirect\n0.250001 0.250001 0.250001 Sc\n0.000000 0.000000 0.000000 Tc\n0.499999 0.500000 0.500000 Tc\n0.750000 0.750001 0.750002 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tc",
"W"
],
"chemical_system": "Sc-Tc-W",
"density": 11.18125464151886,
"density_atomic": 0.06340464909925919,
"volume": 63.08685651328263,
"volume_molar": 9.497948250722771,
"formula_full": "Sc1 Tc2 W1",
"formula_reduced": "ScTc2W",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.2820420625,
"spacegroup": 225
},
{
"id": "jvasp-104168",
"created_at": "2022-09-04T14:36:57.321819Z",
"updated_at": "2022-09-04T14:36:57.321845Z",
"structure_string": "H14 C14 N2 O2\n1.0\n5.565963 -0.003652 -0.585182\n-2.489424 6.293521 -1.688713\n-0.148970 0.117638 7.651989\nH C N O\n14 14 2 2\ndirect\n0.092780 0.455475 0.396692 H\n0.342485 0.829139 0.065603 H\n0.342488 0.829142 0.565601 H\n0.749907 0.296875 0.064495 H\n0.989138 0.669564 0.251298 H\n0.989137 0.669565 0.751300 H\n0.402946 0.058093 0.832711 H\n0.749905 0.296874 0.564497 H\n0.050573 0.218699 0.668053 H\n0.050571 0.218699 0.168053 H\n0.067919 0.965253 0.089055 H\n0.067920 0.965253 0.589055 H\n0.092779 0.455473 0.896693 H\n0.402944 0.058093 0.332710 H\n0.680862 0.774193 0.669613 C\n0.429250 0.711061 0.069642 C\n0.429250 0.711061 0.569641 C\n0.291043 0.500493 0.970016 C\n0.291044 0.500494 0.470016 C\n0.680861 0.774192 0.169613 C\n0.409306 0.350803 0.961029 C\n0.062093 0.080813 0.709180 C\n0.793820 0.622905 0.171379 C\n0.793818 0.622905 0.671379 C\n0.660161 0.414216 0.067022 C\n0.660160 0.414217 0.567023 C\n0.062092 0.080814 0.209179 C\n0.409305 0.350803 0.461029 C\n0.285448 0.142045 0.350496 N\n0.285449 0.142044 0.850496 N\n0.814246 0.987246 0.763312 O\n0.814245 0.987245 0.263312 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.497205156188024,
"density_atomic": 0.11909043759073183,
"volume": 268.70335391638855,
"volume_molar": 5.056779437401841,
"formula_full": "H14 C14 N2 O2",
"formula_reduced": "H7C7NO",
"formula_anonymous": "ABC7D7",
"energy_above_hull": 5.281771046874999,
"spacegroup": 1
},
{
"id": "jvasp-106657",
"created_at": "2022-09-04T14:37:00.809698Z",
"updated_at": "2022-09-04T14:37:00.809723Z",
"structure_string": "Ce2 Re4 Si2 C2\n1.0\n5.855599 -0.005617 0.000000\n-4.493923 3.754028 0.000000\n-0.000000 -0.000000 7.357836\nCe Re Si C\n2 4 2 2\ndirect\n0.543208 0.456792 0.250000 Ce\n0.456792 0.543208 0.750000 Ce\n0.826388 0.173612 0.061109 Re\n0.173613 0.826388 0.938892 Re\n0.173613 0.826388 0.561109 Re\n0.826388 0.173612 0.438892 Re\n0.265187 0.734814 0.250000 Si\n0.734814 0.265186 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ce",
"Re",
"Si",
"C"
],
"chemical_system": "C-Ce-Re-Si",
"density": 11.360321408109021,
"density_atomic": 0.06189848999388389,
"volume": 161.55482954411468,
"volume_molar": 9.729059239724654,
"formula_full": "Ce2 Re4 Si2 C2",
"formula_reduced": "CeRe2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 5.28069402,
"spacegroup": 63
},
{
"id": "jvasp-15266",
"created_at": "2022-09-04T14:36:01.637105Z",
"updated_at": "2022-09-04T14:36:01.637132Z",
"structure_string": "Er2 Mo2 C3\n1.0\n3.194594 0.000000 -0.912013\n-0.568730 5.280676 -1.992145\n-0.004899 -0.016802 6.033845\nEr Mo C\n2 2 3\ndirect\n0.389553 0.174041 0.779108 Er\n0.610446 0.825960 0.220895 Er\n0.155766 0.327285 0.311533 Mo\n0.844233 0.672716 0.688469 Mo\n0.751631 0.263757 0.503265 C\n0.248367 0.736244 0.496738 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Er",
"Mo",
"C"
],
"chemical_system": "C-Er-Mo",
"density": 9.187826691846968,
"density_atomic": 0.06886414853176602,
"volume": 101.64940900664737,
"volume_molar": 8.744957845840604,
"formula_full": "Er2 Mo2 C3",
"formula_reduced": "Er2Mo2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 5.280130257142858,
"spacegroup": 12
},
{
"id": "jvasp-94851",
"created_at": "2022-09-04T14:36:19.141670Z",
"updated_at": "2022-09-04T14:36:19.141691Z",
"structure_string": "Tm2 Mo2 C3\n1.0\n-0.000000 3.355373 0.000000\n0.139848 0.000000 5.629032\n5.289983 -1.677686 -1.931437\nTm Mo C\n2 2 3\ndirect\n0.614911 0.819158 0.229823 Tm\n0.385087 0.180841 0.770176 Tm\n0.851537 0.631466 0.703078 Mo\n0.148461 0.368533 0.296923 Mo\n0.000000 0.500000 0.000000 C\n0.269800 0.745750 0.539601 C\n0.730198 0.254249 0.460399 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tm",
"Mo",
"C"
],
"chemical_system": "C-Mo-Tm",
"density": 9.318513110671061,
"density_atomic": 0.06943006512849133,
"volume": 100.8208761873605,
"volume_molar": 8.67367868495453,
"formula_full": "Tm2 Mo2 C3",
"formula_reduced": "Tm2Mo2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 5.279130042857143,
"spacegroup": 12
},
{
"id": "jvasp-113080",
"created_at": "2022-09-04T14:38:46.332672Z",
"updated_at": "2022-09-04T14:38:46.332698Z",
"structure_string": "Mn8 Nb3 Al1\n1.0\n4.756686 -0.000000 0.000000\n-2.378343 4.119411 0.000000\n-0.000000 -0.000000 7.864684\nMn Nb Al\n8 3 1\ndirect\n0.333334 0.666667 0.500862 Mn\n0.333334 0.666667 0.010937 Mn\n0.504086 0.008173 0.748137 Mn\n0.504087 0.495914 0.748137 Mn\n0.991828 0.495914 0.748137 Mn\n0.159866 0.319732 0.251516 Mn\n0.159866 0.840134 0.251516 Mn\n0.680269 0.840134 0.251516 Mn\n0.666667 0.333333 0.442512 Nb\n0.666667 0.333333 0.064636 Nb\n0.000000 0.000000 0.921740 Nb\n0.000000 0.000000 0.560301 Al\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Nb",
"Al"
],
"chemical_system": "Al-Mn-Nb",
"density": 8.029786435041306,
"density_atomic": 0.07786824033092625,
"volume": 154.10647459095162,
"volume_molar": 7.733757350117283,
"formula_full": "Mn8 Nb3 Al1",
"formula_reduced": "Mn8Nb3Al",
"formula_anonymous": "AB3C8",
"energy_above_hull": 5.278395744252873,
"spacegroup": 156
},
{
"id": "jvasp-63308",
"created_at": "2022-09-04T14:35:43.576050Z",
"updated_at": "2022-09-04T14:35:43.576077Z",
"structure_string": "Zr2 B1 Ir6\n1.0\n0.000000 4.067925 4.067925\n4.067925 0.000000 4.067925\n4.067925 4.067925 -0.000000\nZr B Ir\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Zr\n0.749999 0.749999 0.749999 Zr\n0.000000 0.000000 0.000000 B\n0.258420 0.258420 0.741579 Ir\n0.741579 0.741579 0.258420 Ir\n0.258420 0.741579 0.741579 Ir\n0.741579 0.258420 0.258420 Ir\n0.741579 0.258420 0.741579 Ir\n0.258420 0.741579 0.258420 Ir\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"B",
"Ir"
],
"chemical_system": "B-Ir-Zr",
"density": 16.608343632572204,
"density_atomic": 0.06684881328237427,
"volume": 134.63215812049413,
"volume_molar": 9.008597855824362,
"formula_full": "Zr2 B1 Ir6",
"formula_reduced": "Zr2BIr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 5.27779202037037,
"spacegroup": 225
},
{
"id": "jvasp-90174",
"created_at": "2022-09-04T14:35:52.747158Z",
"updated_at": "2022-09-04T14:35:52.747182Z",
"structure_string": "Zr2 B1 Ir6\n1.0\n-4.068022 -4.068022 -0.000000\n-4.068022 0.000000 -4.068022\n0.000000 -4.068022 -4.068022\nZr B Ir\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 B\n0.741579 0.258421 0.258421 Ir\n0.741579 0.258421 0.741579 Ir\n0.741579 0.741579 0.258421 Ir\n0.258421 0.741579 0.741579 Ir\n0.258421 0.741579 0.258421 Ir\n0.258421 0.258421 0.741579 Ir\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"B",
"Ir"
],
"chemical_system": "B-Ir-Zr",
"density": 16.607155607345984,
"density_atomic": 0.06684403146437488,
"volume": 134.64178929418148,
"volume_molar": 9.009242303420244,
"formula_full": "Zr2 B1 Ir6",
"formula_reduced": "Zr2BIr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 5.2777820203703705,
"spacegroup": 225
},
{
"id": "jvasp-117221",
"created_at": "2022-09-04T14:38:49.263041Z",
"updated_at": "2022-09-04T14:38:49.263065Z",
"structure_string": "Co6 P2 W4\n1.0\n4.757280 -0.000000 0.000000\n-2.378640 4.119926 0.000000\n-0.000000 -0.000000 7.300468\nCo P W\n6 2 4\ndirect\n0.831251 0.168750 0.250000 Co\n0.831251 0.662502 0.250000 Co\n0.337499 0.168750 0.250000 Co\n0.168750 0.831251 0.750000 Co\n0.168750 0.337499 0.750000 Co\n0.662501 0.831251 0.750000 Co\n0.000000 0.000000 0.500000 P\n0.000000 0.000000 0.000000 P\n0.333334 0.666667 0.435399 W\n0.666667 0.333334 0.564601 W\n0.666667 0.333334 0.935399 W\n0.333334 0.666667 0.064601 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"P",
"W"
],
"chemical_system": "Co-P-W",
"density": 13.356429705409726,
"density_atomic": 0.08386532133401849,
"volume": 143.0865560295947,
"volume_molar": 7.18072817728205,
"formula_full": "Co6 P2 W4",
"formula_reduced": "Co3PW2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.277689700000001,
"spacegroup": 194
}
]
}