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=80",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=78",
"results": [
{
"id": "jvasp-103091",
"created_at": "2022-09-04T14:36:45.279083Z",
"updated_at": "2022-09-04T14:36:45.279101Z",
"structure_string": "Hf1 Ta1 C1 N1\n1.0\n3.057540 -0.000228 4.632408\n1.390771 2.722922 4.632408\n-0.000373 -0.000228 5.550473\nHf Ta C N\n1 1 1 1\ndirect\n0.747459 0.747456 0.747458 Hf\n0.253307 0.253306 0.253307 Ta\n0.997840 0.997837 0.997840 C\n0.501398 0.501396 0.501398 N\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Hf",
"Ta",
"C",
"N"
],
"chemical_system": "C-Hf-N-Ta",
"density": 13.84868232534936,
"density_atomic": 0.08654567070151306,
"volume": 46.21837195988209,
"volume_molar": 6.958338541011176,
"formula_full": "Hf1 Ta1 C1 N1",
"formula_reduced": "HfTaCN",
"formula_anonymous": "ABCD",
"energy_above_hull": 5.5294863625,
"spacegroup": 160
},
{
"id": "jvasp-98746",
"created_at": "2022-09-04T14:36:14.257866Z",
"updated_at": "2022-09-04T14:36:14.257885Z",
"structure_string": "Ho4 B28 Mo12\n1.0\n3.098765 -0.000000 0.000000\n-0.000000 11.025176 0.000000\n0.000000 0.000000 12.906663\nHo B Mo\n4 28 12\ndirect\n0.750001 0.949629 0.308291 Ho\n0.250000 0.050372 0.691709 Ho\n0.750001 0.449629 0.191709 Ho\n0.250000 0.550372 0.808291 Ho\n0.250000 0.314760 0.067191 B\n0.750001 0.185240 0.567191 B\n0.250000 0.814761 0.432809 B\n0.750001 0.567945 0.383921 B\n0.250000 0.432055 0.616079 B\n0.750001 0.067945 0.116079 B\n0.250000 0.932055 0.883921 B\n0.750001 0.537394 0.981655 B\n0.750001 0.037393 0.518345 B\n0.750001 0.685240 0.932808 B\n0.250000 0.962607 0.481655 B\n0.750001 0.751127 0.173580 B\n0.250000 0.248873 0.826420 B\n0.750001 0.251127 0.326420 B\n0.250000 0.748873 0.673580 B\n0.750001 0.731145 0.418266 B\n0.250000 0.268855 0.581734 B\n0.250000 0.462607 0.018345 B\n0.250000 0.835232 0.167623 B\n0.250000 0.335232 0.332376 B\n0.750001 0.231145 0.081734 B\n0.750001 0.164768 0.832376 B\n0.750001 0.510016 0.638319 B\n0.250000 0.489985 0.361681 B\n0.250000 0.768855 0.918266 B\n0.250000 0.989985 0.138319 B\n0.750001 0.664768 0.667623 B\n0.750001 0.010016 0.861681 B\n0.250000 0.617543 0.526955 Mo\n0.750001 0.382458 0.473045 Mo\n0.250000 0.117543 0.973045 Mo\n0.250000 0.660021 0.064834 Mo\n0.750001 0.339979 0.935166 Mo\n0.250000 0.160021 0.435166 Mo\n0.750001 0.839979 0.564834 Mo\n0.250000 0.685142 0.297527 Mo\n0.750001 0.314858 0.702473 Mo\n0.250000 0.185142 0.202473 Mo\n0.750001 0.814858 0.797527 Mo\n0.750001 0.882458 0.026955 Mo\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Ho",
"B",
"Mo"
],
"chemical_system": "B-Ho-Mo",
"density": 7.959874271260049,
"density_atomic": 0.09978483254990585,
"volume": 440.94877824236545,
"volume_molar": 6.035126387558069,
"formula_full": "Ho4 B28 Mo12",
"formula_reduced": "HoB7Mo3",
"formula_anonymous": "AB3C7",
"energy_above_hull": 5.528161031818181,
"spacegroup": 62
},
{
"id": "jvasp-74811",
"created_at": "2022-09-04T14:36:04.834185Z",
"updated_at": "2022-09-04T14:36:04.834212Z",
"structure_string": "Ti1 Be1 Os4\n1.0\n-0.000000 3.615391 3.615391\n3.615391 -0.000000 3.615391\n3.615391 3.615391 0.000000\nTi Be Os\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Be\n0.124188 0.625270 0.625270 Os\n0.625270 0.625270 0.625270 Os\n0.625270 0.124188 0.625270 Os\n0.625270 0.625270 0.124188 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Os"
],
"chemical_system": "Be-Os-Ti",
"density": 14.368120311243546,
"density_atomic": 0.06348270693244014,
"volume": 94.51392812195843,
"volume_molar": 9.486269648849268,
"formula_full": "Ti1 Be1 Os4",
"formula_reduced": "TiBeOs4",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.524757405555556,
"spacegroup": 216
},
{
"id": "jvasp-36251",
"created_at": "2022-09-04T14:37:28.749910Z",
"updated_at": "2022-09-04T14:37:28.749936Z",
"structure_string": "Os1 C2\n1.0\n1.442596 -2.498649 -0.000000\n1.442596 2.498649 0.000000\n0.000000 -0.000000 4.013758\nOs C\n1 2\ndirect\n0.666668 0.333334 0.500000 Os\n0.000000 0.000000 0.820713 C\n0.000000 0.000000 0.179287 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Os",
"C"
],
"chemical_system": "C-Os",
"density": 12.295370214575415,
"density_atomic": 0.10367883265277063,
"volume": 28.93551097404095,
"volume_molar": 5.808457334939977,
"formula_full": "Os1 C2",
"formula_reduced": "OsC2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.522821666666667,
"spacegroup": 187
},
{
"id": "jvasp-120052",
"created_at": "2022-09-04T14:38:51.930545Z",
"updated_at": "2022-09-04T14:38:51.930572Z",
"structure_string": "Os1 C1 N1\n1.0\n2.419316 1.396793 1.698732\n-2.419316 1.396793 1.698732\n0.000000 -2.793585 1.698732\nOs C N\n1 1 1\ndirect\n0.978648 0.978648 0.978651 Os\n0.602993 0.602993 0.602995 C\n0.363358 0.363358 0.363359 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Os",
"C",
"N"
],
"chemical_system": "C-N-Os",
"density": 10.42555850608045,
"density_atomic": 0.0871004888571081,
"volume": 34.44297545702209,
"volume_molar": 6.914014879847079,
"formula_full": "Os1 C1 N1",
"formula_reduced": "OsCN",
"formula_anonymous": "ABC",
"energy_above_hull": 5.522816083333333,
"spacegroup": 160
},
{
"id": "jvasp-39037",
"created_at": "2022-09-04T14:38:02.418520Z",
"updated_at": "2022-09-04T14:38:02.418539Z",
"structure_string": "Sm1 Ta3\n1.0\n0.000000 3.441941 3.441941\n3.441941 0.000000 3.441941\n3.441941 3.441941 -0.000000\nSm Ta\n1 3\ndirect\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Ta\n0.499999 0.499999 0.499999 Ta\n0.249999 0.249999 0.249999 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Ta"
],
"chemical_system": "Sm-Ta",
"density": 14.114635637319992,
"density_atomic": 0.049047822434070076,
"volume": 81.55305988103319,
"volume_molar": 12.278100150307269,
"formula_full": "Sm1 Ta3",
"formula_reduced": "SmTa3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.52232911875,
"spacegroup": 225
},
{
"id": "jvasp-36663",
"created_at": "2022-09-04T14:37:32.252481Z",
"updated_at": "2022-09-04T14:37:32.252510Z",
"structure_string": "Zr1 Os3\n1.0\n3.999235 -0.000000 0.000000\n-0.000000 3.999235 -0.000000\n0.000000 -0.000000 3.999235\nZr Os\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500001 0.500001 0.000000 Os\n0.500001 0.000000 0.500001 Os\n0.000000 0.500001 0.500001 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Os"
],
"chemical_system": "Os-Zr",
"density": 17.183826956033272,
"density_atomic": 0.06253587309558424,
"volume": 63.9632870222523,
"volume_molar": 9.629897948007116,
"formula_full": "Zr1 Os3",
"formula_reduced": "ZrOs3",
"formula_anonymous": "AB3",
"energy_above_hull": 5.522324875000001,
"spacegroup": 221
},
{
"id": "jvasp-75856",
"created_at": "2022-09-04T14:36:06.613814Z",
"updated_at": "2022-09-04T14:36:06.613840Z",
"structure_string": "Ti1 As1 W2\n1.0\n0.000000 3.164568 3.164568\n3.164568 0.000000 3.164568\n3.164568 3.164568 -0.000000\nTi As W\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ti\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 W\n0.750000 0.750000 0.750000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"As",
"W"
],
"chemical_system": "As-Ti-W",
"density": 12.849523237166208,
"density_atomic": 0.06310833163211443,
"volume": 63.383073146628526,
"volume_molar": 9.542544707259328,
"formula_full": "Ti1 As1 W2",
"formula_reduced": "TiAsW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.522087520833333,
"spacegroup": 216
},
{
"id": "jvasp-97659",
"created_at": "2022-09-04T14:35:48.920204Z",
"updated_at": "2022-09-04T14:35:48.920239Z",
"structure_string": "Li2 B26 C4\n1.0\n5.229134 0.000012 2.198589\n1.859493 6.454275 2.895220\n0.001515 0.002896 7.314267\nLi B C\n2 26 4\ndirect\n0.748807 0.945549 0.556392 Li\n0.248823 0.058847 0.443145 Li\n0.089109 0.912054 0.228689 B\n0.247960 0.388034 0.113860 B\n0.571723 0.605369 0.249050 B\n0.322747 0.879067 0.979308 B\n0.071723 0.751477 0.102939 B\n0.227950 0.092277 0.770789 B\n0.727950 0.273218 0.589847 B\n0.924234 0.252856 0.896536 B\n0.165145 0.847322 0.820264 B\n0.768013 0.912054 0.228711 B\n0.747962 0.616291 0.885606 B\n0.316745 0.481731 0.376639 B\n0.830826 0.157006 0.179215 B\n0.906875 0.092281 0.770766 B\n0.589105 0.731124 0.409624 B\n0.424231 0.398967 0.750424 B\n0.330822 0.681645 0.654576 B\n0.406872 0.273197 0.589850 B\n0.673215 0.125261 0.020171 B\n0.679218 0.522599 0.622830 B\n0.268014 0.731147 0.409621 B\n0.816746 0.879069 0.979300 B\n0.173215 0.522610 0.622823 B\n0.179220 0.125258 0.020165 B\n0.822746 0.481738 0.376640 B\n0.665145 0.322689 0.344898 B\n0.378571 0.251175 0.989544 C\n0.617397 0.753147 0.009926 C\n0.117396 0.512352 0.250722 C\n0.878564 0.491981 0.748742 C\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"B",
"C"
],
"chemical_system": "B-C-Li",
"density": 2.30782710192494,
"density_atomic": 0.12965711551788087,
"volume": 246.80481184688176,
"volume_molar": 4.644666616210118,
"formula_full": "Li2 B26 C4",
"formula_reduced": "LiB13C2",
"formula_anonymous": "AB2C13",
"energy_above_hull": 5.5216464739583335,
"spacegroup": 74
},
{
"id": "jvasp-103766",
"created_at": "2022-09-04T14:36:31.897101Z",
"updated_at": "2022-09-04T14:36:31.897122Z",
"structure_string": "H10 C14 N2 O2\n1.0\n5.059188 -0.040573 0.381828\n0.010876 5.024006 0.349126\n0.228231 0.120739 9.762235\nH C N O\n10 14 2 2\ndirect\n0.602992 0.370538 0.020895 H\n0.032542 0.795762 0.981985 H\n0.810431 0.675623 0.758175 H\n0.927632 0.002457 0.555675 H\n0.249905 0.472215 0.680776 H\n0.423432 0.751811 0.921803 H\n0.889530 0.642712 0.214784 H\n0.174286 -0.001513 0.388679 H\n0.221819 0.361140 0.202261 H\n0.300049 0.550627 0.457896 H\n0.371483 0.295657 0.693811 C\n0.090776 0.189562 0.914543 C\n0.751847 0.030591 0.625865 C\n0.686354 0.848237 0.738719 C\n0.465995 0.890999 0.831058 C\n0.308859 0.116698 0.810205 C\n0.593440 0.254166 0.601402 C\n0.342231 0.001190 0.310427 C\n0.582685 0.211991 0.103257 C\n0.369973 0.204951 0.205050 C\n0.532335 0.799971 0.315819 C\n0.744832 0.801015 0.212913 C\n0.768468 0.006141 0.106373 C\n0.685482 0.450350 0.482956 C\n0.976718 0.986104 0.000252 N\n0.494208 0.597223 0.425261 N\n0.025208 0.427866 0.922242 O\n0.926920 0.476245 0.443395 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.5985432644593078,
"density_atomic": 0.11313997965081529,
"volume": 247.48104150642942,
"volume_molar": 5.322734526368286,
"formula_full": "H10 C14 N2 O2",
"formula_reduced": "H5C7NO",
"formula_anonymous": "ABC5D7",
"energy_above_hull": 5.521173339285714,
"spacegroup": 1
},
{
"id": "jvasp-92491",
"created_at": "2022-09-04T14:36:04.019395Z",
"updated_at": "2022-09-04T14:36:04.019415Z",
"structure_string": "U2 N3\n1.0\n-1.848183 -3.201170 -0.000051\n-1.848204 3.201182 0.000000\n-0.000085 -0.000049 -5.785030\nU N\n2 3\ndirect\n0.333326 0.666662 0.242196 U\n0.666672 0.333334 0.757804 U\n0.000000 0.000000 0.000000 N\n0.333336 0.666666 0.643021 N\n0.666662 0.333330 0.356978 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"U",
"N"
],
"chemical_system": "N-U",
"density": 12.567577706091537,
"density_atomic": 0.0730427982575245,
"volume": 68.45301822051876,
"volume_molar": 8.244674223416173,
"formula_full": "U2 N3",
"formula_reduced": "U2N3",
"formula_anonymous": "A2B3",
"energy_above_hull": 5.51933835,
"spacegroup": 164
},
{
"id": "jvasp-19924",
"created_at": "2022-09-04T14:35:54.041406Z",
"updated_at": "2022-09-04T14:35:54.041430Z",
"structure_string": "U2 N3\n1.0\n1.848166 -3.201119 -0.000000\n1.848166 3.201119 0.000000\n-0.000000 0.000000 5.785441\nU N\n2 3\ndirect\n0.333334 0.666668 0.757803 U\n0.666668 0.333334 0.242197 U\n0.000000 0.000000 0.000000 N\n0.333334 0.666668 0.356998 N\n0.666668 0.333334 0.643001 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"U",
"N"
],
"chemical_system": "N-U",
"density": 12.567095653507192,
"density_atomic": 0.07303999656649927,
"volume": 68.4556439627944,
"volume_molar": 8.24499047520784,
"formula_full": "U2 N3",
"formula_reduced": "U2N3",
"formula_anonymous": "A2B3",
"energy_above_hull": 5.51933635,
"spacegroup": 164
}
]
}