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=388",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=386",
"results": [
{
"id": "jvasp-32159",
"created_at": "2022-09-04T14:37:47.093921Z",
"updated_at": "2022-09-04T14:37:47.093950Z",
"structure_string": "Ti2 Mn4 P24\n1.0\n5.831570 0.000000 -0.000000\n-2.915784 7.315936 -3.450994\n-0.000000 -0.004028 10.716430\nTi Mn P\n2 4 24\ndirect\n0.302693 -0.000000 0.750000 Ti\n0.697307 -0.000000 0.250000 Ti\n0.372017 0.364653 0.546475 Mn\n0.992637 0.364654 0.046475 Mn\n0.627984 0.635347 0.453525 Mn\n0.007364 0.635347 0.953525 Mn\n0.416007 0.124884 0.167336 P\n0.291124 0.875116 0.332664 P\n0.647385 0.642979 0.663675 P\n0.004405 0.357021 0.836326 P\n0.352616 0.357021 0.336326 P\n0.995596 0.642979 0.163675 P\n0.431906 0.764977 0.992903 P\n0.666929 0.235023 0.507098 P\n0.568095 0.235023 0.007098 P\n0.594998 0.547315 0.925033 P\n0.983174 0.065431 0.927657 P\n0.082258 0.065431 0.427657 P\n0.016826 0.934569 0.072344 P\n0.331097 0.312122 0.743070 P\n0.018975 0.687878 0.756930 P\n0.668904 0.687879 0.256931 P\n0.981026 0.312122 0.243070 P\n0.708877 0.124884 0.667336 P\n0.583994 0.875116 0.832664 P\n0.952318 0.547316 0.425033 P\n0.405003 0.452685 0.074968 P\n0.047683 0.452685 0.574967 P\n0.917743 0.934569 0.572344 P\n0.333072 0.764977 0.492903 P\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"P"
],
"chemical_system": "Mn-P-Ti",
"density": 3.8464286180701177,
"density_atomic": 0.06562853966336282,
"volume": 457.11820122591456,
"volume_molar": 9.176100505801541,
"formula_full": "Ti2 Mn4 P24",
"formula_reduced": "Ti(MnP6)2",
"formula_anonymous": "AB2C12",
"energy_above_hull": 3.949280587739464,
"spacegroup": 15
},
{
"id": "jvasp-80082",
"created_at": "2022-09-04T14:37:16.541731Z",
"updated_at": "2022-09-04T14:37:16.541750Z",
"structure_string": "Sc1 Pa1 Ru2\n1.0\n-0.000000 3.337278 3.337278\n3.337278 0.000000 3.337278\n3.337278 3.337278 0.000000\nSc Pa Ru\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Sc\n0.250000 0.250000 0.250000 Pa\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Pa",
"Ru"
],
"chemical_system": "Pa-Ru-Sc",
"density": 10.680450390069936,
"density_atomic": 0.05380874204777866,
"volume": 74.33736318251522,
"volume_molar": 11.191751620308706,
"formula_full": "Sc1 Pa1 Ru2",
"formula_reduced": "ScPaRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.9489923375,
"spacegroup": 225
},
{
"id": "jvasp-38484",
"created_at": "2022-09-04T14:37:48.182212Z",
"updated_at": "2022-09-04T14:37:48.182238Z",
"structure_string": "Hf3 Tl1\n1.0\n-2.156647 2.156647 4.701771\n2.156647 -2.156647 4.701771\n2.156647 2.156647 -4.701771\nHf Tl\n3 1\ndirect\n0.750001 0.250000 0.500001 Hf\n0.250000 0.750001 0.500001 Hf\n0.500000 0.500000 0.000000 Hf\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Tl"
],
"chemical_system": "Hf-Tl",
"density": 14.044785708041305,
"density_atomic": 0.04572780928710593,
"volume": 87.4741226916352,
"volume_molar": 13.169536992663431,
"formula_full": "Hf3 Tl1",
"formula_reduced": "Hf3Tl",
"formula_anonymous": "AB3",
"energy_above_hull": 3.948742899999999,
"spacegroup": 139
},
{
"id": "jvasp-37146",
"created_at": "2022-09-04T14:38:07.026916Z",
"updated_at": "2022-09-04T14:38:07.026936Z",
"structure_string": "Nb1 Fe3\n1.0\n3.559440 0.000000 0.000000\n0.000000 3.559440 -0.000000\n-1.779720 -1.779720 4.124313\nNb Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.000000 Fe\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"Fe"
],
"chemical_system": "Fe-Nb",
"density": 8.27645036786863,
"density_atomic": 0.07654996932619999,
"volume": 52.25345006939095,
"volume_molar": 7.866940787837602,
"formula_full": "Nb1 Fe3",
"formula_reduced": "NbFe3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.948618975,
"spacegroup": 139
},
{
"id": "jvasp-79878",
"created_at": "2022-09-04T14:36:52.512658Z",
"updated_at": "2022-09-04T14:36:52.512678Z",
"structure_string": "Ta1 Mn2 Ge1\n1.0\n-0.000030 2.975989 2.976018\n2.975972 0.000022 2.975975\n2.975993 2.975958 -0.000001\nTa Mn Ge\n1 2 1\ndirect\n0.750001 0.750000 0.749999 Ta\n0.499993 0.500008 0.499999 Mn\n0.000010 0.999997 0.999996 Mn\n0.250002 0.249995 0.250001 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Ta",
"density": 11.449537986015722,
"density_atomic": 0.0758817765761833,
"volume": 52.7135786809644,
"volume_molar": 7.93621476950257,
"formula_full": "Ta1 Mn2 Ge1",
"formula_reduced": "TaMn2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.948097408189655,
"spacegroup": 225
},
{
"id": "jvasp-38615",
"created_at": "2022-09-04T14:38:01.872963Z",
"updated_at": "2022-09-04T14:38:01.872988Z",
"structure_string": "Hf2 V4 H8\n1.0\n2.699297 2.699297 3.949311\n-5.398595 0.000000 0.000000\n-0.000000 -5.398595 0.000000\nHf V H\n2 4 8\ndirect\n0.750000 0.874998 0.124998 Hf\n0.250001 0.125000 0.874999 Hf\n-0.000000 0.499999 0.000001 V\n-0.000000 0.499999 0.499999 V\n0.499999 0.499999 0.499999 V\n0.499999 0.999998 0.499999 V\n0.372480 0.505674 0.116965 H\n0.127522 0.883035 0.133196 H\n0.627521 0.133195 0.244485 H\n0.127522 0.244484 0.494325 H\n0.872479 0.755515 0.505673 H\n0.372480 0.866804 0.755516 H\n0.872479 0.116963 0.866802 H\n0.627521 0.494325 0.883035 H\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hf",
"V",
"H"
],
"chemical_system": "H-Hf-V",
"density": 8.20603042385414,
"density_atomic": 0.12163125967813934,
"volume": 115.10198971092466,
"volume_molar": 4.951145598537573,
"formula_full": "Hf2 V4 H8",
"formula_reduced": "Hf(VH2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.948071628571429,
"spacegroup": 88
},
{
"id": "jvasp-109101",
"created_at": "2022-09-04T14:37:50.884005Z",
"updated_at": "2022-09-04T14:37:50.884027Z",
"structure_string": "Ho2 Mn4 Si2 C2\n1.0\n5.578188 0.000934 0.000000\n-4.360960 3.478248 0.000000\n-0.000000 -0.000000 6.952551\nHo Mn Si C\n2 4 2 2\ndirect\n0.543592 0.456408 0.250000 Ho\n0.456408 0.543592 0.750000 Ho\n0.831620 0.168379 0.061560 Mn\n0.168380 0.831621 0.938440 Mn\n0.168380 0.831621 0.561559 Mn\n0.831620 0.168379 0.438440 Mn\n0.264698 0.735302 0.250000 Si\n0.735302 0.264697 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ho",
"Mn",
"Si",
"C"
],
"chemical_system": "C-Ho-Mn-Si",
"density": 7.7511531310357125,
"density_atomic": 0.07411582778488701,
"volume": 134.9239467313769,
"volume_molar": 8.125309991110937,
"formula_full": "Ho2 Mn4 Si2 C2",
"formula_reduced": "HoMn2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.9479497298850577,
"spacegroup": 63
},
{
"id": "jvasp-16889",
"created_at": "2022-09-04T14:38:12.644126Z",
"updated_at": "2022-09-04T14:38:12.644155Z",
"structure_string": "Pr1 B2 Pt2 C1\n1.0\n3.678072 0.000000 -1.235381\n-0.414936 3.654592 -1.235381\n-0.014011 -0.015693 6.051296\nPr B Pt C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.636932 0.636933 0.273867 B\n0.363066 0.363067 0.726134 B\n0.249999 0.750000 0.500000 Pt\n0.750000 0.250000 0.500000 Pt\n0.499999 0.500000 -0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Pr",
"B",
"Pt",
"C"
],
"chemical_system": "B-C-Pr-Pt",
"density": 11.548560757054826,
"density_atomic": 0.07389342673445182,
"volume": 81.1980207869096,
"volume_molar": 8.149765176869593,
"formula_full": "Pr1 B2 Pt2 C1",
"formula_reduced": "PrB2Pt2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.947251302777778,
"spacegroup": 139
},
{
"id": "jvasp-56514",
"created_at": "2022-09-04T14:36:50.094767Z",
"updated_at": "2022-09-04T14:36:50.094778Z",
"structure_string": "Ta3 N3\n1.0\n2.660394 -4.607937 0.000000\n2.660394 4.607937 -0.000000\n-0.000000 -0.000000 3.174026\nTa N\n3 3\ndirect\n0.499999 0.499999 0.000000 Ta\n0.500000 -0.000001 0.000000 Ta\n-0.000001 0.500000 0.000000 Ta\n0.666666 0.333332 0.500001 N\n0.000000 0.000000 0.000000 N\n0.333332 0.666666 0.500001 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 12.479891984980885,
"density_atomic": 0.07710069312464768,
"volume": 77.8203120729392,
"volume_molar": 7.810747888172789,
"formula_full": "Ta3 N3",
"formula_reduced": "TaN",
"formula_anonymous": "AB",
"energy_above_hull": 3.947016225,
"spacegroup": 191
},
{
"id": "jvasp-64990",
"created_at": "2022-09-04T14:37:41.193201Z",
"updated_at": "2022-09-04T14:37:41.193219Z",
"structure_string": "Li1 Be1 Ir4\n1.0\n0.000000 3.629012 3.629012\n3.629012 0.000000 3.629012\n3.629012 3.629012 0.000000\nLi Be Ir\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Be\n0.625088 0.124736 0.625088 Ir\n0.124736 0.625088 0.625088 Ir\n0.625088 0.625088 0.625088 Ir\n0.625088 0.625088 0.124736 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Be",
"Ir"
],
"chemical_system": "Be-Ir-Li",
"density": 13.63404129070862,
"density_atomic": 0.06277056559516268,
"volume": 95.58620259528745,
"volume_molar": 9.593892779044973,
"formula_full": "Li1 Be1 Ir4",
"formula_reduced": "LiBeIr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.94692675,
"spacegroup": 216
},
{
"id": "jvasp-88328",
"created_at": "2022-09-04T14:35:57.024266Z",
"updated_at": "2022-09-04T14:35:57.024287Z",
"structure_string": "H16 C4 S4 N8 O8\n1.0\n10.096981 0.000000 -0.000000\n0.000000 10.940123 0.000000\n-0.000000 0.000000 3.627706\nH C S N O\n16 4 4 8 8\ndirect\n0.128674 0.752397 0.222334 H\n0.452637 0.617159 0.374982 H\n0.547363 0.882841 0.874982 H\n0.952637 0.382841 0.625020 H\n0.952637 0.882841 0.874982 H\n0.547363 0.382841 0.625020 H\n0.452637 0.117159 0.125019 H\n0.047363 0.117159 0.125019 H\n0.047363 0.617159 0.374982 H\n0.371326 0.752397 0.222334 H\n0.628674 0.747602 0.722335 H\n0.871326 0.247603 0.777667 H\n0.871326 0.747602 0.722335 H\n0.628674 0.247603 0.777667 H\n0.371326 0.252397 0.277666 H\n0.128674 0.252397 0.277666 H\n0.750000 0.387701 0.613702 C\n0.750000 0.887701 0.886300 C\n0.250000 0.612299 0.386299 C\n0.250000 0.112299 0.113701 C\n0.250000 0.961384 0.862130 S\n0.250000 0.461384 0.637872 S\n0.750000 0.038616 0.137871 S\n0.750000 0.538616 0.362130 S\n0.134538 0.164105 0.173267 N\n0.365462 0.664105 0.326734 N\n0.634538 0.835895 0.826734 N\n0.865461 0.335895 0.673267 N\n0.634538 0.335895 0.673267 N\n0.365462 0.164105 0.173267 N\n0.134538 0.664105 0.326734 N\n0.865461 0.835895 0.826734 N\n0.373121 0.902925 0.018919 O\n0.126879 0.902925 0.018919 O\n0.373121 0.402925 0.481082 O\n0.626878 0.097074 0.981082 O\n0.873121 0.597074 0.518920 O\n0.873121 0.097074 0.981082 O\n0.626878 0.597074 0.518920 O\n0.126879 0.402925 0.481082 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.7921234926777323,
"density_atomic": 0.0998192182248609,
"volume": 400.72443675017314,
"volume_molar": 6.033047410203149,
"formula_full": "H16 C4 S4 N8 O8",
"formula_reduced": "H4CS(NO)2",
"formula_anonymous": "ABC2D2E4",
"energy_above_hull": 3.94656235,
"spacegroup": 62
},
{
"id": "jvasp-21834",
"created_at": "2022-09-04T14:37:33.018932Z",
"updated_at": "2022-09-04T14:37:33.018956Z",
"structure_string": "Zr2 U6 Sb10\n1.0\n4.573067 -7.920785 -0.000000\n4.573067 7.920785 0.000000\n0.000000 0.000000 6.143922\nZr U Sb\n2 6 10\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.383757 -0.000000 0.250000 U\n-0.000000 0.616244 0.750000 U\n0.383757 0.383757 0.750000 U\n0.616244 0.616244 0.250000 U\n-0.000000 0.383757 0.250000 U\n0.616244 -0.000000 0.750000 U\n-0.000000 0.724748 0.250000 Sb\n0.275253 -0.000000 0.750000 Sb\n0.333333 0.666667 0.000000 Sb\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.500000 Sb\n0.724748 -0.000000 0.250000 Sb\n0.666667 0.333333 0.000000 Sb\n0.275253 0.275253 0.250000 Sb\n-0.000000 0.275253 0.750000 Sb\n0.724748 0.724748 0.750000 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"U",
"Sb"
],
"chemical_system": "Sb-U-Zr",
"density": 10.55142295847069,
"density_atomic": 0.040440919974172346,
"volume": 445.09373207868975,
"volume_molar": 14.89120614428665,
"formula_full": "Zr2 U6 Sb10",
"formula_reduced": "ZrU3Sb5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.946420333333334,
"spacegroup": 193
}
]
}