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=4578",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4576",
"results": [
{
"id": "jvasp-20140",
"created_at": "2022-09-04T14:37:32.693607Z",
"updated_at": "2022-09-04T14:37:32.693635Z",
"structure_string": "Si6 Mo10\n1.0\n4.643276 0.000000 1.672363\n2.321638 6.870356 0.836181\n-0.006451 0.000000 7.300065\nSi Mo\n6 10\ndirect\n0.832639 0.500000 0.834724 Si\n0.667363 0.165276 0.500000 Si\n0.332638 0.834725 0.500000 Si\n0.167363 0.500000 0.165275 Si\n0.750001 0.000000 -0.000000 Si\n0.250000 0.000000 -0.000000 Si\n0.275088 0.148190 0.301634 Mo\n0.724913 0.851811 0.698366 Mo\n0.423278 0.301634 0.851811 Mo\n0.576723 0.698366 0.148189 Mo\n0.923278 0.851811 0.301633 Mo\n0.224913 0.698366 0.851811 Mo\n0.775089 0.301634 0.148189 Mo\n0.076723 0.148190 0.698366 Mo\n0.750001 0.500000 0.500000 Mo\n0.250000 0.500000 0.500000 Mo\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Si",
"Mo"
],
"chemical_system": "Mo-Si",
"density": 8.039999609336824,
"density_atomic": 0.06868332486566407,
"volume": 232.9531954268956,
"volume_molar": 8.76798083345346,
"formula_full": "Si6 Mo10",
"formula_reduced": "Si3Mo5",
"formula_anonymous": "A3B5",
"energy_above_hull": 5.6895806625,
"spacegroup": 140
},
{
"id": "jvasp-35080",
"created_at": "2022-09-04T14:37:29.263169Z",
"updated_at": "2022-09-04T14:37:29.263191Z",
"structure_string": "Ta2 N3 O1\n1.0\n5.433967 -0.000360 0.000000\n-2.717297 4.705774 0.000000\n0.000000 0.000000 2.798512\nTa N O\n2 3 1\ndirect\n0.666681 0.333368 0.500000 Ta\n0.333368 0.666680 0.500000 Ta\n0.500013 0.500013 0.000000 N\n0.500019 0.000024 0.000000 N\n0.000023 0.500018 0.000000 N\n0.999994 0.999994 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Ta",
"density": 9.744333365745044,
"density_atomic": 0.08384798470219021,
"volume": 71.55807049281738,
"volume_molar": 7.182212883695813,
"formula_full": "Ta2 N3 O1",
"formula_reduced": "Ta2N3O",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.689686941666666,
"spacegroup": 191
},
{
"id": "jvasp-39656",
"created_at": "2022-09-04T14:37:46.748683Z",
"updated_at": "2022-09-04T14:37:46.748708Z",
"structure_string": "Ti1 Nb1 Re2\n1.0\n0.000000 3.168164 3.168164\n3.168164 0.000000 3.168164\n3.168164 3.168164 -0.000000\nTi Nb Re\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Ti\n0.250001 0.250001 0.250001 Nb\n0.000000 0.000000 0.000000 Re\n0.499999 0.499999 0.499999 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Nb",
"Re"
],
"chemical_system": "Nb-Re-Ti",
"density": 13.398991310357442,
"density_atomic": 0.06289368358269005,
"volume": 63.59939141966399,
"volume_molar": 9.57511218448882,
"formula_full": "Ti1 Nb1 Re2",
"formula_reduced": "TiNbRe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.692888433333333,
"spacegroup": 225
},
{
"id": "jvasp-97386",
"created_at": "2022-09-04T14:37:51.793472Z",
"updated_at": "2022-09-04T14:37:51.793495Z",
"structure_string": "Y4 B28 Mo12\n1.0\n3.102607 0.000000 0.000000\n0.000000 11.030774 0.000019\n0.000000 0.000022 12.932641\nY B Mo\n4 28 12\ndirect\n0.750001 0.949845 0.308238 Y\n0.250000 0.050155 0.691762 Y\n0.750001 0.449845 0.191762 Y\n0.250000 0.550154 0.808238 Y\n0.250000 0.314554 0.067053 B\n0.750001 0.185446 0.567053 B\n0.250000 0.814554 0.432947 B\n0.750001 0.568032 0.384178 B\n0.250000 0.431967 0.615822 B\n0.750001 0.068033 0.115822 B\n0.250000 0.931967 0.884178 B\n0.750001 0.537435 0.981735 B\n0.750001 0.037435 0.518265 B\n0.750001 0.685445 0.932947 B\n0.250000 0.962564 0.481735 B\n0.750001 0.750688 0.173455 B\n0.250000 0.249311 0.826545 B\n0.750001 0.250688 0.326544 B\n0.250000 0.749311 0.673456 B\n0.750001 0.731001 0.418272 B\n0.250000 0.268998 0.581728 B\n0.250000 0.462564 0.018265 B\n0.250000 0.834945 0.167244 B\n0.250000 0.334945 0.332756 B\n0.750001 0.231002 0.081728 B\n0.750001 0.165054 0.832756 B\n0.750001 0.510038 0.637711 B\n0.250000 0.489961 0.362289 B\n0.250000 0.768998 0.918272 B\n0.250000 0.989961 0.137710 B\n0.750001 0.665055 0.667244 B\n0.750001 0.010039 0.862290 B\n0.250000 0.617636 0.526826 Mo\n0.750001 0.382363 0.473174 Mo\n0.250000 0.117637 0.973174 Mo\n0.250000 0.660244 0.064607 Mo\n0.750001 0.339756 0.935393 Mo\n0.250000 0.160244 0.435393 Mo\n0.750001 0.839756 0.564607 Mo\n0.250000 0.685128 0.297651 Mo\n0.750001 0.314871 0.702349 Mo\n0.250000 0.185128 0.202349 Mo\n0.750001 0.814871 0.797651 Mo\n0.750001 0.882363 0.026826 Mo\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Y",
"B",
"Mo"
],
"chemical_system": "B-Mo-Y",
"density": 6.789134992791926,
"density_atomic": 0.09941060105456885,
"volume": 442.6087311940439,
"volume_molar": 6.057845638308034,
"formula_full": "Y4 B28 Mo12",
"formula_reduced": "YB7Mo3",
"formula_anonymous": "AB3C7",
"energy_above_hull": 5.694214657575758,
"spacegroup": 62
},
{
"id": "jvasp-51211",
"created_at": "2022-09-04T14:36:32.537382Z",
"updated_at": "2022-09-04T14:36:32.537419Z",
"structure_string": "Nb1 Cr1 W1\n1.0\n0.000017 3.020640 3.020631\n3.020650 0.000011 3.020637\n3.020645 3.020642 0.000015\nNb Cr W\n1 1 1\ndirect\n0.499998 0.500003 0.500001 Nb\n0.000000 1.000000 0.999998 Cr\n0.250001 0.250002 0.250000 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Nb",
"Cr",
"W"
],
"chemical_system": "Cr-Nb-W",
"density": 9.903318652656534,
"density_atomic": 0.054424830284824664,
"volume": 55.12189903578796,
"volume_molar": 11.065061165067448,
"formula_full": "Nb1 Cr1 W1",
"formula_reduced": "NbCrW",
"formula_anonymous": "ABC",
"energy_above_hull": 5.696712266666667,
"spacegroup": 216
},
{
"id": "jvasp-104134",
"created_at": "2022-09-04T14:37:02.863822Z",
"updated_at": "2022-09-04T14:37:02.863838Z",
"structure_string": "H10 C15 S2\n1.0\n3.891676 0.050191 0.132330\n-1.440103 5.684211 -0.019428\n0.164300 -0.751073 12.676510\nH C S\n10 15 2\ndirect\n0.581787 0.857071 0.142529 H\n0.829152 0.894359 0.319239 H\n0.438470 0.149330 0.349104 H\n0.924529 0.327017 0.049488 H\n0.078247 0.909797 0.475958 H\n0.182534 0.115763 0.173772 H\n0.079537 0.865585 0.679248 H\n0.588682 0.056630 0.745625 H\n0.082115 0.628943 0.036052 H\n0.273427 0.031582 0.934625 H\n0.330218 0.286651 0.204757 C\n0.694219 0.721643 0.287175 C\n0.553148 0.700305 0.187377 C\n0.648009 0.525541 0.349370 C\n0.361340 0.483834 0.145419 C\n0.472001 0.306294 0.304383 C\n0.168778 0.465092 0.043179 C\n0.943847 0.750919 0.513872 C\n0.749677 0.554674 0.459359 C\n0.644411 0.433590 0.760025 C\n0.357431 0.410623 0.941960 C\n0.945017 0.727845 0.623977 C\n0.545937 0.207790 0.794227 C\n0.382367 0.195415 0.896616 C\n0.752693 0.512139 0.655524 C\n0.540452 0.630495 0.857816 S\n0.571453 0.338118 0.546860 S\n",
"nsites": 27,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.5015826861327033,
"density_atomic": 0.09598385742513775,
"volume": 281.2973006534828,
"volume_molar": 6.274118296086346,
"formula_full": "H10 C15 S2",
"formula_reduced": "H10C15S2",
"formula_anonymous": "A2B10C15",
"energy_above_hull": 5.698705185185185,
"spacegroup": 1
},
{
"id": "jvasp-104127",
"created_at": "2022-09-04T14:36:58.771897Z",
"updated_at": "2022-09-04T14:36:58.771913Z",
"structure_string": "H10 C15 S2\n1.0\n3.811460 0.000000 -0.219773\n0.000000 6.223086 0.000000\n0.325839 0.000000 12.481082\nH C S\n10 15 2\ndirect\n0.876391 0.165743 0.089742 H\n0.885725 0.855462 0.091154 H\n0.668380 0.728822 0.575822 H\n0.331620 0.728822 0.424178 H\n0.507832 0.832817 0.230715 H\n0.114275 0.855462 0.908846 H\n0.275460 0.177638 0.483801 H\n0.724541 0.177638 0.516199 H\n0.123609 0.165743 0.910258 H\n0.492168 0.832817 0.769285 H\n0.933542 0.703705 0.051027 C\n0.067545 0.317916 0.949090 C\n0.932456 0.317916 0.050910 C\n0.137574 0.510594 0.895214 C\n0.862426 0.510594 0.104786 C\n0.066458 0.703705 0.948973 C\n0.500000 0.286754 0.500000 C\n0.434112 0.676922 0.733457 C\n0.726315 0.512362 0.212360 C\n0.565893 0.414864 0.400605 C\n0.434107 0.414864 0.599395 C\n0.565888 0.676922 0.266543 C\n0.473363 0.621515 0.372196 C\n0.526638 0.621515 0.627804 C\n0.273686 0.512362 0.787640 C\n0.238082 0.287097 0.705248 S\n0.761919 0.287097 0.294752 S\n",
"nsites": 27,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.424662992366054,
"density_atomic": 0.09106701269333133,
"volume": 296.48496421994923,
"volume_molar": 6.612867362059623,
"formula_full": "H10 C15 S2",
"formula_reduced": "H10C15S2",
"formula_anonymous": "A2B10C15",
"energy_above_hull": 5.69885037037037,
"spacegroup": 3
},
{
"id": "jvasp-111527",
"created_at": "2022-09-04T14:38:40.959903Z",
"updated_at": "2022-09-04T14:38:40.959927Z",
"structure_string": "Cr9 Fe1 B6\n1.0\n4.870102 -0.000314 -4.000431\n-1.088357 4.746934 -4.000431\n0.000250 0.000314 6.302487\nCr Fe B\n9 1 6\ndirect\n0.522444 0.025128 0.843415 Cr\n0.181713 0.679029 0.156585 Cr\n0.025128 0.181713 0.502684 Cr\n0.679029 0.522444 0.497316 Cr\n0.477554 0.974871 0.156585 Cr\n0.818286 0.320970 0.843415 Cr\n0.974870 0.818286 0.497316 Cr\n0.320970 0.477555 0.502683 Cr\n0.499999 0.500000 -0.000000 Cr\n0.000000 0.000000 0.000000 Fe\n0.885452 0.377572 0.263025 B\n0.114547 0.622427 0.736975 B\n0.377572 0.114547 0.492120 B\n0.622427 0.885452 0.507879 B\n0.252047 0.252048 -0.000000 B\n0.747951 0.747952 -0.000000 B\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"B"
],
"chemical_system": "B-Cr-Fe",
"density": 6.708603190398889,
"density_atomic": 0.10980616731081703,
"volume": 145.7113055836877,
"volume_molar": 5.484337453427134,
"formula_full": "Cr9 Fe1 B6",
"formula_reduced": "Cr9FeB6",
"formula_anonymous": "AB6C9",
"energy_above_hull": 5.700626725,
"spacegroup": 87
},
{
"id": "jvasp-14099",
"created_at": "2022-09-04T14:37:05.496663Z",
"updated_at": "2022-09-04T14:37:05.496700Z",
"structure_string": "U4 Cr4 C8\n1.0\n3.731027 -0.000000 0.000000\n-0.000000 5.269821 0.000000\n0.000000 0.000000 10.401259\nU Cr C\n4 4 8\ndirect\n0.250000 0.605349 0.643951 U\n0.750001 0.394651 0.356049 U\n0.250000 0.105349 0.856049 U\n0.750001 0.894651 0.143951 U\n0.750001 0.597926 0.928546 Cr\n0.750001 0.097926 0.571454 Cr\n0.250000 0.402074 0.071454 Cr\n0.250000 0.902074 0.428546 Cr\n0.250000 0.253434 0.499906 C\n0.750001 0.746566 0.500094 C\n0.250000 0.753434 0.000094 C\n0.750001 0.246566 0.999906 C\n0.250000 0.102466 0.624666 C\n0.750001 0.397534 0.124666 C\n0.250000 0.602466 0.875335 C\n0.750001 0.897534 0.375334 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"U",
"Cr",
"C"
],
"chemical_system": "C-Cr-U",
"density": 10.199825820253338,
"density_atomic": 0.07823657253496405,
"volume": 204.50793639828194,
"volume_molar": 7.697347372047383,
"formula_full": "U4 Cr4 C8",
"formula_reduced": "UCrC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.701588350000001,
"spacegroup": 62
},
{
"id": "jvasp-38854",
"created_at": "2022-09-04T14:37:58.517990Z",
"updated_at": "2022-09-04T14:37:58.518013Z",
"structure_string": "Zr1 Tc2 W1\n1.0\n-0.000000 3.197500 3.197500\n3.197500 0.000000 3.197500\n3.197500 3.197500 -0.000000\nZr Tc W\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Tc\n0.499999 0.499999 0.499999 Tc\n0.250000 0.250000 0.250000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"W"
],
"chemical_system": "Tc-W-Zr",
"density": 11.963750789090565,
"density_atomic": 0.06117843120625859,
"volume": 65.38251996874999,
"volume_molar": 9.843568462383082,
"formula_full": "Zr1 Tc2 W1",
"formula_reduced": "ZrTc2W",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.7016968750000006,
"spacegroup": 225
},
{
"id": "jvasp-117139",
"created_at": "2022-09-04T14:38:48.664421Z",
"updated_at": "2022-09-04T14:38:48.664439Z",
"structure_string": "Nb6 B4 Ru10\n1.0\n9.483391 0.000000 0.000000\n0.000000 9.483391 0.000000\n-0.000000 0.000000 3.013058\nNb B Ru\n6 4 10\ndirect\n0.823323 0.676677 -0.000000 Nb\n0.176677 0.323323 -0.000000 Nb\n0.323323 0.823323 -0.000000 Nb\n0.676677 0.176677 -0.000000 Nb\n0.500000 0.500000 -0.000000 Nb\n0.000000 0.000000 0.000000 Nb\n0.121198 0.621198 -0.000000 B\n0.878802 0.378802 -0.000000 B\n0.621198 0.878802 -0.000000 B\n0.378802 0.121198 -0.000000 B\n0.500000 0.000000 0.500000 Ru\n0.570976 0.719134 0.500000 Ru\n0.429024 0.280866 0.500000 Ru\n0.070976 0.780866 0.500000 Ru\n0.929024 0.219134 0.500000 Ru\n0.280866 0.570976 0.500000 Ru\n0.719134 0.429024 0.500000 Ru\n0.219134 0.070976 0.500000 Ru\n0.780866 0.929024 0.500000 Ru\n-0.000000 0.500000 0.500000 Ru\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"B",
"Ru"
],
"chemical_system": "B-Nb-Ru",
"density": 9.8744490997412,
"density_atomic": 0.07380659842758944,
"volume": 270.97848195269023,
"volume_molar": 8.1593528062511,
"formula_full": "Nb6 B4 Ru10",
"formula_reduced": "Nb3B2Ru5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 5.701707586666666,
"spacegroup": 127
},
{
"id": "jvasp-112069",
"created_at": "2022-09-04T14:38:43.692504Z",
"updated_at": "2022-09-04T14:38:43.692532Z",
"structure_string": "H12 C24 S2 O4\n1.0\n5.882047 -0.048570 -0.416230\n-0.832689 7.269382 -1.850950\n0.047842 -0.104795 10.111583\nH C S O\n12 24 2 4\ndirect\n0.307109 0.018716 0.760121 H\n0.144539 0.859270 0.523112 H\n0.682392 0.762307 0.841005 H\n0.682393 0.262307 0.841006 H\n0.520566 0.603140 0.603347 H\n0.520567 0.103140 0.603347 H\n0.144538 0.359270 0.523112 H\n0.354433 0.030927 0.172289 H\n0.164124 0.589561 0.401377 H\n0.164125 0.089561 0.401377 H\n0.307108 0.518716 0.760120 H\n0.354433 0.530928 0.172289 H\n0.690978 0.081572 0.639489 C\n0.690977 0.581571 0.639489 C\n0.010021 0.154013 0.815024 C\n0.010020 0.654013 0.815023 C\n0.820958 0.973164 0.546864 C\n0.135559 0.037266 0.724281 C\n0.135557 0.537265 0.724281 C\n0.043143 0.947833 0.591855 C\n0.043142 0.447833 0.591855 C\n0.783469 0.671476 0.773515 C\n0.820957 0.473164 0.546864 C\n0.783470 0.171477 0.773515 C\n0.144349 0.275046 0.941482 C\n0.720803 0.883697 0.402300 C\n0.186778 0.965901 0.183498 C\n0.186778 0.465902 0.183499 C\n0.720802 0.383697 0.402299 C\n0.083784 0.496039 0.306258 C\n0.052752 0.839793 0.074986 C\n0.083784 0.996039 0.306258 C\n0.870269 0.892225 0.293320 C\n0.870268 0.392226 0.293320 C\n0.144349 0.775045 0.941482 C\n0.052753 0.339793 0.074986 C\n0.793680 0.762379 0.125234 S\n0.793680 0.262379 0.125234 S\n0.349021 0.326392 0.933435 O\n0.521034 0.805200 0.377515 O\n0.521033 0.305200 0.377515 O\n0.349020 0.826391 0.933434 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.651125887846415,
"density_atomic": 0.09746532800018562,
"volume": 430.92247121889346,
"volume_molar": 6.178751853160061,
"formula_full": "H12 C24 S2 O4",
"formula_reduced": "H6C12SO2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 5.703145571428571,
"spacegroup": 1
}
]
}