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=106",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=104",
"results": [
{
"id": "jvasp-20166",
"created_at": "2022-09-04T14:38:17.332839Z",
"updated_at": "2022-09-04T14:38:17.332861Z",
"structure_string": "Mo8 C4\n1.0\n4.748845 -0.000000 0.000000\n0.000000 5.234906 0.000000\n0.000000 0.000000 6.075019\nMo C\n8 4\ndirect\n0.244718 0.079678 0.878354 Mo\n0.744719 0.920323 0.621647 Mo\n0.255282 0.579679 0.621647 Mo\n0.755283 0.420322 0.878354 Mo\n0.244718 0.579679 0.121647 Mo\n0.744719 0.420322 0.378354 Mo\n0.255282 0.079678 0.378354 Mo\n0.755283 0.920323 0.121647 Mo\n0.500000 0.750001 0.877040 C\n0.000000 0.250000 0.622960 C\n0.500000 0.250000 0.122960 C\n0.000000 0.750001 0.377040 C\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mo",
"C"
],
"chemical_system": "C-Mo",
"density": 8.967305853359289,
"density_atomic": 0.07945783418110336,
"volume": 151.02349722557423,
"volume_molar": 7.579039652998979,
"formula_full": "Mo8 C4",
"formula_reduced": "Mo2C",
"formula_anonymous": "AB2",
"energy_above_hull": 5.277277266666667,
"spacegroup": 60
},
{
"id": "jvasp-35050",
"created_at": "2022-09-04T14:37:31.926608Z",
"updated_at": "2022-09-04T14:37:31.926633Z",
"structure_string": "Re2 N4\n1.0\n4.403961 -0.000000 0.000000\n-0.000000 4.403961 0.000000\n-0.000000 -0.000000 2.669751\nRe N\n2 4\ndirect\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.500000 Re\n0.114365 0.614365 0.000000 N\n0.885635 0.385635 0.000000 N\n0.614365 0.885635 0.000000 N\n0.385635 0.114365 0.000000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Re",
"N"
],
"chemical_system": "N-Re",
"density": 13.739857624116214,
"density_atomic": 0.11587601833912366,
"volume": 51.77948022377118,
"volume_molar": 5.197055306453106,
"formula_full": "Re2 N4",
"formula_reduced": "ReN2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.276044833333332,
"spacegroup": 127
},
{
"id": "jvasp-105850",
"created_at": "2022-09-04T14:35:42.479426Z",
"updated_at": "2022-09-04T14:35:42.479447Z",
"structure_string": "Ta2 Fe1 Ru1\n1.0\n3.828884 -0.000000 2.210607\n1.276295 3.609906 2.210607\n0.000000 0.000000 4.421215\nTa Fe Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750001 0.750000 Ta\n0.500000 0.500001 0.500000 Fe\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"Ru"
],
"chemical_system": "Fe-Ru-Ta",
"density": 14.097702285462054,
"density_atomic": 0.06545611936418992,
"volume": 61.10964167833544,
"volume_molar": 9.200271599502468,
"formula_full": "Ta2 Fe1 Ru1",
"formula_reduced": "Ta2FeRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.2758161,
"spacegroup": 225
},
{
"id": "jvasp-10103",
"created_at": "2022-09-04T14:37:51.500009Z",
"updated_at": "2022-09-04T14:37:51.500028Z",
"structure_string": "Nb6 Co7\n1.0\n4.703859 0.001818 7.838384\n2.172817 4.171949 7.838384\n0.002995 0.001818 9.141474\nNb Co\n6 7\ndirect\n0.165523 0.165523 0.165523 Nb\n0.834476 0.834478 0.834475 Nb\n0.343244 0.343244 0.343243 Nb\n0.656756 0.656757 0.656755 Nb\n0.448945 0.448946 0.448944 Nb\n0.551055 0.551056 0.551054 Nb\n0.089265 0.593686 0.089264 Co\n0.089265 0.089266 0.593686 Co\n0.593686 0.089266 0.089265 Co\n0.406313 0.910736 0.910734 Co\n0.910734 0.406315 0.910734 Co\n0.910735 0.910736 0.406312 Co\n0.000000 0.000000 0.000000 Co\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Nb",
"Co"
],
"chemical_system": "Co-Nb",
"density": 8.986904049747391,
"density_atomic": 0.07253469156663436,
"volume": 179.22458508088482,
"volume_molar": 8.302428300074496,
"formula_full": "Nb6 Co7",
"formula_reduced": "Nb6Co7",
"formula_anonymous": "A6B7",
"energy_above_hull": 5.275401746153846,
"spacegroup": 166
},
{
"id": "jvasp-11980",
"created_at": "2022-09-04T14:36:46.519334Z",
"updated_at": "2022-09-04T14:36:46.519359Z",
"structure_string": "Nb6 Co7\n1.0\n4.703890 0.001824 7.838454\n2.172836 4.171974 7.838454\n0.003004 0.001824 9.141549\nNb Co\n6 7\ndirect\n0.165525 0.165524 0.165524 Nb\n0.834477 0.834473 0.834476 Nb\n0.343244 0.343243 0.343244 Nb\n0.656757 0.656754 0.656756 Nb\n0.448945 0.448943 0.448945 Nb\n0.551056 0.551054 0.551056 Nb\n0.089267 0.593686 0.089266 Co\n0.089266 0.089265 0.593687 Co\n0.593687 0.089265 0.089266 Co\n0.406314 0.910732 0.910734 Co\n0.910734 0.406311 0.910735 Co\n0.910735 0.910732 0.406313 Co\n0.000000 0.000000 0.000000 Co\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Nb",
"Co"
],
"chemical_system": "Co-Nb",
"density": 8.986743880412135,
"density_atomic": 0.07253339881517437,
"volume": 179.22777937272576,
"volume_molar": 8.30257627295984,
"formula_full": "Nb6 Co7",
"formula_reduced": "Nb6Co7",
"formula_anonymous": "A6B7",
"energy_above_hull": 5.275401746153846,
"spacegroup": 166
},
{
"id": "jvasp-123544",
"created_at": "2022-09-04T14:38:54.914273Z",
"updated_at": "2022-09-04T14:38:54.914305Z",
"structure_string": "Y1 U3\n1.0\n2.922011 0.000000 0.000000\n0.000000 5.947741 0.000000\n0.000000 0.000000 5.140437\nY U\n1 3\ndirect\n0.000000 0.107271 0.750000 Y\n0.500000 0.410078 0.250000 U\n0.500000 0.607011 0.750000 U\n0.000000 0.875639 0.250000 U\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"U"
],
"chemical_system": "U-Y",
"density": 14.925424563610994,
"density_atomic": 0.04477401654490438,
"volume": 89.3375289658982,
"volume_molar": 13.450079364580406,
"formula_full": "Y1 U3",
"formula_reduced": "YU3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.2753108625000005,
"spacegroup": 25
},
{
"id": "jvasp-39322",
"created_at": "2022-09-04T14:37:57.476875Z",
"updated_at": "2022-09-04T14:37:57.476903Z",
"structure_string": "Lu2 Mo2 C3\n1.0\n5.616731 1.666651 0.035570\n-5.616731 1.666651 -0.035570\n-1.876413 0.000000 5.271414\nLu Mo C\n2 2 3\ndirect\n0.615847 0.384150 0.817849 Lu\n0.384150 0.615848 0.182151 Lu\n0.852542 0.147455 0.634716 Mo\n0.147456 0.852542 0.365282 Mo\n0.268923 0.731074 0.747931 C\n0.731075 0.268922 0.252069 C\n0.999998 0.999998 0.500000 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Lu",
"Mo",
"C"
],
"chemical_system": "C-Lu-Mo",
"density": 9.700585887469911,
"density_atomic": 0.07076764138808067,
"volume": 98.91526498124895,
"volume_molar": 8.50973784328257,
"formula_full": "Lu2 Mo2 C3",
"formula_reduced": "Lu2Mo2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 5.273943328571429,
"spacegroup": 12
},
{
"id": "jvasp-27011",
"created_at": "2022-09-04T14:38:35.416984Z",
"updated_at": "2022-09-04T14:38:35.417010Z",
"structure_string": "Ta12 Al8 Co4 C4\n1.0\n7.109739 0.000000 4.104810\n2.369913 6.703126 4.104810\n0.000000 0.000000 8.209619\nTa Al Co C\n12 8 4 4\ndirect\n0.313787 0.936213 0.936213 Ta\n0.063788 0.063788 0.686213 Ta\n0.686212 0.686213 0.063788 Ta\n0.063787 0.686213 0.686213 Ta\n0.063787 0.686213 0.063788 Ta\n0.686212 0.063788 0.686212 Ta\n0.936212 0.313788 0.936213 Ta\n0.936212 0.936213 0.313788 Ta\n0.313787 0.313788 0.936213 Ta\n0.313787 0.936213 0.313788 Ta\n0.686212 0.063788 0.063788 Ta\n0.936212 0.313788 0.313788 Ta\n0.706933 0.706934 0.706934 Al\n0.293066 0.293067 0.620801 Al\n0.293066 0.620802 0.293067 Al\n0.620801 0.293067 0.293067 Al\n0.706933 0.706934 0.379199 Al\n0.379198 0.706934 0.706934 Al\n0.293066 0.293067 0.293067 Al\n0.706933 0.379199 0.706933 Al\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 -0.000000 0.500000 Co\n0.500000 -0.000000 -0.000000 C\n0.000000 0.000000 0.000000 C\n-0.000000 -0.000000 0.500000 C\n-0.000000 0.500000 0.000000 C\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ta",
"Al",
"Co",
"C"
],
"chemical_system": "Al-C-Co-Ta",
"density": 11.336248051392719,
"density_atomic": 0.07156554582271987,
"volume": 391.24972328668883,
"volume_molar": 8.414860378369609,
"formula_full": "Ta12 Al8 Co4 C4",
"formula_reduced": "Ta3Al2CoC",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 5.271764871428571,
"spacegroup": 227
},
{
"id": "jvasp-117913",
"created_at": "2022-09-04T14:38:29.434387Z",
"updated_at": "2022-09-04T14:38:29.434419Z",
"structure_string": "C1 S1 N1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nC S N\n1 1 1\ndirect\n-0.091979 -0.070757 0.000000 C\n-0.017897 0.292438 0.000000 S\n0.261240 -0.023433 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"C",
"S",
"N"
],
"chemical_system": "C-N-S",
"density": 0.4827083059194001,
"density_atomic": 0.015014551905253628,
"volume": 199.80616264347475,
"volume_molar": 40.10869453848196,
"formula_full": "C1 S1 N1",
"formula_reduced": "CSN",
"formula_anonymous": "ABC",
"energy_above_hull": 5.270844416666666,
"spacegroup": 6
},
{
"id": "jvasp-54348",
"created_at": "2022-09-04T14:37:29.677829Z",
"updated_at": "2022-09-04T14:37:29.677849Z",
"structure_string": "Np3 In1\n1.0\n4.596078 -0.000000 0.000000\n-0.000000 4.596163 0.000000\n0.000000 0.000000 4.596240\nNp In\n3 1\ndirect\n0.500000 0.000000 0.500000 Np\n0.500000 0.500000 0.000000 Np\n0.000000 0.500000 0.500000 Np\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Np",
"In"
],
"chemical_system": "In-Np",
"density": 14.123682025947419,
"density_atomic": 0.04119784322411498,
"volume": 97.09246132716524,
"volume_molar": 14.617611721176138,
"formula_full": "Np3 In1",
"formula_reduced": "Np3In",
"formula_anonymous": "AB3",
"energy_above_hull": 5.268737492500001,
"spacegroup": 221
},
{
"id": "jvasp-102006",
"created_at": "2022-09-04T14:37:00.632289Z",
"updated_at": "2022-09-04T14:37:00.632314Z",
"structure_string": "H20 C22 O6\n1.0\n7.108814 0.111428 0.029809\n0.324282 7.339607 2.523527\n-0.019553 0.201025 8.151651\nH C O\n20 22 6\ndirect\n0.919294 0.753965 0.827258 H\n0.790371 0.254884 0.728190 H\n0.209629 0.745117 0.271810 H\n0.864906 0.399670 0.839613 H\n0.135093 0.600331 0.160387 H\n0.199004 0.505017 0.386055 H\n0.893328 -0.002479 0.320070 H\n0.106672 0.002480 0.679930 H\n0.849518 0.841430 0.206074 H\n0.150482 0.158572 0.793926 H\n0.800995 0.494984 0.613945 H\n0.125546 0.240982 0.559204 H\n0.498668 0.655569 0.557117 H\n0.501331 0.344432 0.442883 H\n0.751474 0.130531 0.041312 H\n0.248525 0.869470 0.958687 H\n0.278334 0.985227 0.382990 H\n0.721665 0.014774 0.617010 H\n0.080706 0.246036 0.172742 H\n0.874454 0.759020 0.440796 H\n0.566606 0.420199 0.786536 C\n0.550361 0.440964 0.320829 C\n0.449638 0.559038 0.679171 C\n0.742477 0.409263 0.279194 C\n0.766427 0.391671 0.739093 C\n0.177273 0.126348 0.674456 C\n0.822726 0.873653 0.325544 C\n0.233572 0.608330 0.260907 C\n0.433393 0.579802 0.213464 C\n0.257522 0.590738 0.720806 C\n0.494615 0.299080 0.949245 C\n0.225669 0.215948 0.142914 C\n0.605141 0.154124 0.070519 C\n0.394859 0.845877 0.929481 C\n0.526373 0.042745 0.224462 C\n0.473627 0.957256 0.775538 C\n0.335839 0.073346 0.260430 C\n0.664161 0.926655 0.739570 C\n0.774330 0.784054 0.857085 C\n0.305810 0.328182 0.989082 C\n0.694189 0.671820 0.010918 C\n0.505384 0.700921 0.050755 C\n0.855867 0.286621 0.368786 O\n0.808648 0.529016 0.121600 O\n0.191351 0.470985 0.878400 O\n0.376836 0.101125 0.651227 O\n0.623163 0.898877 0.348772 O\n0.144133 0.713381 0.631213 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4988703890345891,
"density_atomic": 0.11390071321697127,
"volume": 421.4196614253331,
"volume_molar": 5.287184416947705,
"formula_full": "H20 C22 O6",
"formula_reduced": "H10C11O3",
"formula_anonymous": "A3B10C11",
"energy_above_hull": 5.268389604166667,
"spacegroup": 2
},
{
"id": "jvasp-116738",
"created_at": "2022-09-04T14:38:44.936017Z",
"updated_at": "2022-09-04T14:38:44.936044Z",
"structure_string": "Mn4 Ir2 N6\n1.0\n5.318569 -0.020745 0.000000\n-2.815457 4.713509 0.000000\n-0.000000 -0.000000 4.949324\nMn Ir N\n4 2 6\ndirect\n0.373667 0.346914 0.494979 Mn\n0.626333 0.973248 0.494979 Mn\n0.626333 0.653087 0.994979 Mn\n0.373667 0.026754 0.994979 Mn\n-0.000000 0.596697 0.494201 Ir\n-0.000000 0.403304 0.994200 Ir\n0.317994 0.314982 0.865117 N\n0.682007 -0.003012 0.865117 N\n0.682006 0.685019 0.365117 N\n0.317994 0.003013 0.365117 N\n-0.000000 0.750431 0.873603 N\n-0.000000 0.249569 0.373604 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Ir",
"N"
],
"chemical_system": "Ir-Mn-N",
"density": 9.23226792540665,
"density_atomic": 0.09694138780331933,
"volume": 123.78613791197564,
"volume_molar": 6.212146222022416,
"formula_full": "Mn4 Ir2 N6",
"formula_reduced": "Mn2IrN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.26738255545977,
"spacegroup": 36
}
]
}