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=4433",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4431",
"results": [
{
"id": "jvasp-65079",
"created_at": "2022-09-04T14:36:05.250635Z",
"updated_at": "2022-09-04T14:36:05.250664Z",
"structure_string": "Be1 Nb4 Pb1\n1.0\n0.000000 3.887222 3.887222\n3.887222 0.000000 3.887222\n3.887222 3.887222 0.000000\nBe Nb Pb\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.120400 0.626533 0.626533 Nb\n0.626533 0.626533 0.626533 Nb\n0.626533 0.120400 0.626533 Nb\n0.626533 0.626533 0.120400 Nb\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Pb"
],
"chemical_system": "Be-Nb-Pb",
"density": 8.309186497883216,
"density_atomic": 0.0510743940428339,
"volume": 117.47569623573132,
"volume_molar": 11.790919643509602,
"formula_full": "Be1 Nb4 Pb1",
"formula_reduced": "BeNb4Pb",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.554777420000001,
"spacegroup": 216
},
{
"id": "jvasp-38859",
"created_at": "2022-09-04T14:38:05.680894Z",
"updated_at": "2022-09-04T14:38:05.680922Z",
"structure_string": "Zr1 Sc1 Os2\n1.0\n0.000000 3.250344 3.250344\n3.250344 -0.000000 3.250344\n3.250344 3.250344 -0.000000\nZr Sc Os\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Zr\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Sc",
"Os"
],
"chemical_system": "Os-Sc-Zr",
"density": 12.491628925443527,
"density_atomic": 0.05824276908494447,
"volume": 68.67805330763342,
"volume_molar": 10.339722603533803,
"formula_full": "Zr1 Sc1 Os2",
"formula_reduced": "ZrScOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5551899375,
"spacegroup": 225
},
{
"id": "jvasp-36570",
"created_at": "2022-09-04T14:37:29.671623Z",
"updated_at": "2022-09-04T14:37:29.671646Z",
"structure_string": "Cr3 N6\n1.0\n1.975852 -3.422275 -0.000000\n1.975852 3.422275 0.000000\n-0.000000 0.000000 7.762171\nCr N\n3 6\ndirect\n0.500000 0.500000 0.333333 Cr\n0.500000 -0.000001 0.000000 Cr\n-0.000001 0.500000 0.666667 Cr\n0.406266 0.593733 0.833333 N\n0.406266 0.812535 0.500000 N\n0.187464 0.593733 0.166667 N\n0.593733 0.406266 0.833333 N\n0.593733 0.187464 0.500000 N\n0.812535 0.406266 0.166667 N\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 3.7969020295659868,
"density_atomic": 0.08573536323265815,
"volume": 104.97418638767412,
"volume_molar": 7.024103628811662,
"formula_full": "Cr3 N6",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.555437966666666,
"spacegroup": 180
},
{
"id": "jvasp-71053",
"created_at": "2022-09-04T14:35:55.843232Z",
"updated_at": "2022-09-04T14:35:55.843260Z",
"structure_string": "Be1 Ir1 Os2\n1.0\n2.781601 0.000000 0.000000\n0.000000 2.781601 0.000000\n0.000000 0.000000 6.626394\nBe Ir Os\n1 1 2\ndirect\n0.000000 0.000000 0.505833 Be\n0.500000 0.500000 0.710017 Ir\n0.000000 0.000000 0.005012 Os\n0.500000 0.500000 0.279137 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ir",
"Os"
],
"chemical_system": "Be-Ir-Os",
"density": 18.839664381244674,
"density_atomic": 0.07801768664435736,
"volume": 51.27042561815438,
"volume_molar": 7.718942997440892,
"formula_full": "Be1 Ir1 Os2",
"formula_reduced": "BeIrOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.555639299999999,
"spacegroup": 99
},
{
"id": "jvasp-30634",
"created_at": "2022-09-04T14:37:28.044885Z",
"updated_at": "2022-09-04T14:37:28.044906Z",
"structure_string": "W3 O8\n1.0\n4.611859 -0.396860 -2.177143\n-0.897274 5.332827 -2.872794\n-0.785637 -0.134174 6.522553\nW O\n3 8\ndirect\n0.500001 1.000000 0.000002 W\n1.000000 0.720617 0.000002 W\n1.000000 0.279384 0.000001 W\n-0.032326 0.372335 0.744669 O\n0.032327 0.627666 0.255332 O\n0.022776 0.890563 0.781124 O\n0.977225 0.109437 0.218877 O\n0.457998 0.332481 0.211245 O\n0.457999 0.878764 0.211246 O\n0.542003 0.121237 0.788756 O\n0.542004 0.667520 0.788756 O\n",
"nsites": 11,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 7.726510089767404,
"density_atomic": 0.07532303103189053,
"volume": 146.037670673964,
"volume_molar": 7.995085536919411,
"formula_full": "W3 O8",
"formula_reduced": "W3O8",
"formula_anonymous": "A3B8",
"energy_above_hull": 4.555870727272727,
"spacegroup": 12
},
{
"id": "jvasp-107746",
"created_at": "2022-09-04T14:36:02.734728Z",
"updated_at": "2022-09-04T14:36:02.734748Z",
"structure_string": "Nb2 Ru1\n1.0\n6.752170 0.005437 1.894604\n6.219734 2.630641 0.946789\n-0.001004 0.004950 2.841393\nNb Ru\n2 1\ndirect\n0.339430 0.339431 0.660568 Nb\n0.660569 0.660570 0.339430 Nb\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Nb",
"Ru"
],
"chemical_system": "Nb-Ru",
"density": 9.450870639727444,
"density_atomic": 0.059516793532652525,
"volume": 50.405941280323155,
"volume_molar": 10.118389117680023,
"formula_full": "Nb2 Ru1",
"formula_reduced": "Nb2Ru",
"formula_anonymous": "AB2",
"energy_above_hull": 4.5561631,
"spacegroup": 69
},
{
"id": "jvasp-103808",
"created_at": "2022-09-04T14:36:48.043875Z",
"updated_at": "2022-09-04T14:36:48.043885Z",
"structure_string": "H10 C6 S2 N2\n1.0\n4.954190 -0.018110 -0.558214\n-0.834976 6.130692 -1.431634\n-0.015474 0.100291 6.362039\nH C S N\n10 6 2 2\ndirect\n0.864470 0.172257 0.054629 H\n0.187914 0.844906 0.986030 H\n0.724919 0.109859 0.491060 H\n0.725356 0.610853 0.991363 H\n0.725201 0.850678 0.749854 H\n0.185341 0.347737 0.488834 H\n0.863242 0.914083 0.313513 H\n0.860674 0.412963 0.813924 H\n0.861890 0.672677 0.553499 H\n0.724774 0.350366 0.248855 H\n0.923647 0.304558 0.201531 C\n0.923057 0.804079 0.700914 C\n0.922756 0.560475 0.945113 C\n0.923340 0.061096 0.445596 C\n0.066559 0.498166 0.139047 C\n0.066559 0.997972 0.639244 C\n0.346488 0.640369 0.281225 S\n0.346490 0.139518 0.782076 S\n0.081602 0.722642 0.863882 N\n0.081737 0.224812 0.366043 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.493035439831726,
"density_atomic": 0.10317774224632195,
"volume": 193.8402562856327,
"volume_molar": 5.836666541532775,
"formula_full": "H10 C6 S2 N2",
"formula_reduced": "H5C3SN",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 4.556550324999999,
"spacegroup": 6
},
{
"id": "jvasp-11399",
"created_at": "2022-09-04T14:38:15.715045Z",
"updated_at": "2022-09-04T14:38:15.715064Z",
"structure_string": "Sc8 C6\n1.0\n5.874073 -0.000000 -2.076799\n-2.937037 5.087097 -2.076799\n0.000000 0.000000 6.230396\nSc C\n8 6\ndirect\n0.399478 0.500000 -0.000000 Sc\n0.600521 0.600522 0.600521 Sc\n0.500000 0.000000 0.399479 Sc\n-0.000000 0.399479 0.500000 Sc\n0.500000 0.000000 0.899479 Sc\n-0.000000 0.899479 0.500000 Sc\n0.899478 0.500000 -0.000000 Sc\n0.100521 0.100521 0.100521 Sc\n0.749999 0.875001 0.125000 C\n0.625000 0.375000 0.250000 C\n0.874999 0.125000 0.750000 C\n0.125000 0.750000 0.875000 C\n0.375000 0.250000 0.625000 C\n0.250000 0.625000 0.375000 C\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sc",
"C"
],
"chemical_system": "C-Sc",
"density": 3.850505090290692,
"density_atomic": 0.07519743491467414,
"volume": 186.1765632815225,
"volume_molar": 8.008439073531257,
"formula_full": "Sc8 C6",
"formula_reduced": "Sc4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.556664428571429,
"spacegroup": 220
},
{
"id": "jvasp-92659",
"created_at": "2022-09-04T14:36:12.304170Z",
"updated_at": "2022-09-04T14:36:12.304194Z",
"structure_string": "Hf2 S1 N2\n1.0\n-0.000000 -3.508239 0.000000\n-4.138633 -0.000000 -0.000000\n2.069317 1.754119 -5.722066\nHf S N\n2 1 2\ndirect\n0.673869 0.173868 0.347738 Hf\n0.326131 0.826130 0.652263 Hf\n0.000000 0.000000 0.000000 S\n0.279258 0.279258 0.558517 N\n0.720742 0.720741 0.441484 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Hf",
"S",
"N"
],
"chemical_system": "Hf-N-S",
"density": 8.335794872478566,
"density_atomic": 0.06018261481593463,
"volume": 83.08047125058022,
"volume_molar": 10.006445845562544,
"formula_full": "Hf2 S1 N2",
"formula_reduced": "Hf2SN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.556868499999999,
"spacegroup": 71
},
{
"id": "jvasp-23846",
"created_at": "2022-09-04T14:37:42.353168Z",
"updated_at": "2022-09-04T14:37:42.353194Z",
"structure_string": "Co4 B4 W4\n1.0\n3.258808 0.000000 0.000000\n-0.000000 5.744426 0.000000\n0.000000 0.000000 6.625721\nCo B W\n4 4 4\ndirect\n0.750000 0.856783 0.558009 Co\n0.250000 0.143217 0.441991 Co\n0.750000 0.356783 0.941991 Co\n0.250000 0.643218 0.058009 Co\n0.750000 0.230883 0.625868 B\n0.250000 0.769118 0.374131 B\n0.750000 0.730883 0.874131 B\n0.250000 0.269117 0.125868 B\n0.750000 0.972194 0.174764 W\n0.250000 0.027806 0.825236 W\n0.750000 0.472194 0.325236 W\n0.250000 0.527807 0.674764 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"B",
"W"
],
"chemical_system": "B-Co-W",
"density": 13.579779351230263,
"density_atomic": 0.09674815432142132,
"volume": 124.03337390947044,
"volume_molar": 6.224553638504521,
"formula_full": "Co4 B4 W4",
"formula_reduced": "CoBW",
"formula_anonymous": "ABC",
"energy_above_hull": 4.556917827777778,
"spacegroup": 62
},
{
"id": "jvasp-75842",
"created_at": "2022-09-04T14:35:50.657314Z",
"updated_at": "2022-09-04T14:35:50.657341Z",
"structure_string": "Nb2 Cr1 As1\n1.0\n0.000000 3.156759 3.156759\n3.156759 0.000000 3.156759\n3.156759 3.156759 0.000000\nNb Cr As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Nb\n0.750000 0.750000 0.750000 Cr\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Cr",
"As"
],
"chemical_system": "As-Cr-Nb",
"density": 8.25401024286417,
"density_atomic": 0.0635778318929182,
"volume": 62.915011111688315,
"volume_molar": 9.472076320788778,
"formula_full": "Nb2 Cr1 As1",
"formula_reduced": "Nb2CrAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5570744875,
"spacegroup": 216
},
{
"id": "jvasp-101786",
"created_at": "2022-09-04T14:36:52.709630Z",
"updated_at": "2022-09-04T14:36:52.709667Z",
"structure_string": "H12 C12 O4\n1.0\n4.454815 0.007912 -0.823621\n-2.092414 5.316831 -0.423419\n-0.242467 -0.121704 10.195111\nH C O\n12 12 4\ndirect\n0.540024 0.593849 0.906958 H\n0.764398 0.240083 0.514576 H\n0.235601 0.759917 0.485424 H\n0.187567 0.356187 0.581481 H\n0.066021 0.077556 0.369369 H\n0.933978 0.922444 0.630631 H\n0.812432 0.643813 0.418519 H\n0.742718 0.605417 0.660285 H\n0.987629 0.620977 0.105796 H\n0.012370 0.379024 0.894204 H\n0.459975 0.406151 0.093041 H\n0.257281 0.394583 0.339715 H\n0.518048 0.016329 0.223014 C\n0.996143 0.365109 0.498271 C\n0.003856 0.634891 0.501729 C\n0.046307 0.262457 0.366389 C\n0.953692 0.737543 0.633611 C\n0.481951 0.983672 0.776986 C\n0.989999 0.785239 0.058263 C\n0.739571 0.771487 0.949497 C\n0.252652 0.013079 0.108471 C\n0.747347 0.986921 0.891529 C\n0.010000 0.214761 0.941737 C\n0.260428 0.228513 0.050503 C\n0.226207 0.762410 0.748007 O\n0.494316 0.163024 0.716549 O\n0.505683 0.836976 0.283450 O\n0.773793 0.237590 0.251992 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5227730852728532,
"density_atomic": 0.11659631998788086,
"volume": 240.14480047835426,
"volume_molar": 5.164949254509874,
"formula_full": "H12 C12 O4",
"formula_reduced": "H3C3O",
"formula_anonymous": "AB3C3",
"energy_above_hull": 4.557783357142856,
"spacegroup": 2
}
]
}