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=4565",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4563",
"results": [
{
"id": "jvasp-102001",
"created_at": "2022-09-04T14:36:51.541045Z",
"updated_at": "2022-09-04T14:36:51.541069Z",
"structure_string": "H12 C22 O8\n1.0\n6.922993 0.103923 3.636588\n2.806657 7.376357 0.518574\n0.048001 0.131666 7.886683\nH C O\n12 22 8\ndirect\n0.637021 0.087202 0.007574 H\n0.947002 0.937667 0.311417 H\n0.241417 0.172278 0.605889 H\n0.758582 0.827723 0.394110 H\n0.679381 0.517645 0.375518 H\n0.320619 0.482356 0.624481 H\n0.052998 0.062334 0.688582 H\n0.619875 0.195276 0.468365 H\n0.221890 0.006239 0.338674 H\n0.778110 0.993761 0.661326 H\n0.362979 0.912798 -0.007574 H\n0.380125 0.804725 0.531635 H\n0.320165 0.383168 0.217652 C\n0.098101 0.164212 0.727909 C\n0.901899 0.835789 0.272091 C\n0.991562 0.237523 0.050971 C\n0.008437 0.762478 0.949029 C\n0.860246 0.385456 0.992506 C\n0.139754 0.614544 0.007494 C\n0.925672 0.343831 0.803412 C\n0.074327 0.656169 0.196588 C\n0.679834 0.616833 0.782348 C\n0.599444 0.663598 0.988053 C\n0.310382 0.449616 0.903460 C\n0.689617 0.550384 0.096540 C\n0.569700 0.172831 0.922393 C\n0.400555 0.336402 0.011946 C\n0.647901 0.122272 0.728011 C\n0.352099 0.877728 0.271988 C\n0.430300 0.827170 0.077607 C\n0.441202 0.765865 0.378803 C\n0.390947 0.396513 0.707533 C\n0.609053 0.603487 0.292466 C\n0.558798 0.234136 0.621197 C\n0.867442 0.890542 0.107293 O\n0.382136 0.293163 0.323678 O\n0.617864 0.706838 0.676321 O\n0.153130 0.552645 0.304151 O\n0.846869 0.447356 0.695848 O\n0.007378 0.782130 0.794171 O\n0.992621 0.217871 0.205829 O\n0.132558 0.109459 0.892707 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.6783679186510052,
"density_atomic": 0.10499190652363231,
"volume": 400.0308346676831,
"volume_molar": 5.735814273116847,
"formula_full": "H12 C22 O8",
"formula_reduced": "H6C11O4",
"formula_anonymous": "A4B6C11",
"energy_above_hull": 5.50517019047619,
"spacegroup": 2
},
{
"id": "jvasp-71125",
"created_at": "2022-09-04T14:35:46.265673Z",
"updated_at": "2022-09-04T14:35:46.265705Z",
"structure_string": "Be1 Si1 Os4\n1.0\n0.000000 3.630918 3.630918\n3.630918 -0.000000 3.630918\n3.630918 3.630918 -0.000000\nBe Si Os\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Si\n0.124805 0.625065 0.625065 Os\n0.625065 0.625065 0.625065 Os\n0.625065 0.124805 0.625065 Os\n0.625065 0.625065 0.124805 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Si",
"Os"
],
"chemical_system": "Be-Os-Si",
"density": 13.841472464951119,
"density_atomic": 0.06267176586576358,
"volume": 95.73689072127596,
"volume_molar": 9.609017197471028,
"formula_full": "Be1 Si1 Os4",
"formula_reduced": "BeSiOs4",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.505980783333333,
"spacegroup": 216
},
{
"id": "jvasp-104128",
"created_at": "2022-09-04T14:36:55.986086Z",
"updated_at": "2022-09-04T14:36:55.986105Z",
"structure_string": "H16 C22 S2 O2\n1.0\n3.763735 -0.207386 0.321278\n0.610152 8.320106 1.999896\n-0.153482 -0.594092 12.786773\nH C S O\n16 22 2 2\ndirect\n0.243291 0.427803 0.860466 H\n0.430872 0.669867 0.236462 H\n0.431039 0.669832 0.736497 H\n0.815516 0.709397 0.087488 H\n0.026889 0.953722 0.464950 H\n0.027091 0.953722 0.964963 H\n0.386522 0.944658 0.124742 H\n0.386686 0.944622 0.624753 H\n0.815389 0.709372 0.587470 H\n0.909510 0.490140 0.210962 H\n0.671946 0.212346 0.808289 H\n0.671363 0.212414 0.308285 H\n0.773479 0.891633 0.696888 H\n0.773308 0.891658 0.196872 H\n0.243212 0.427822 0.360434 H\n0.909907 0.490095 0.710938 H\n0.072770 0.836755 0.444125 C\n0.017568 0.549367 0.984087 C\n0.017489 0.549374 0.484055 C\n0.246331 0.827561 0.844662 C\n0.300505 0.680047 0.813745 C\n0.189576 0.542665 0.884053 C\n0.189470 0.542670 0.384024 C\n0.300349 0.680066 0.313721 C\n0.072938 0.836758 0.944142 C\n0.246171 0.827583 0.344641 C\n0.959003 0.700272 0.511853 C\n0.898645 0.409743 0.060490 C\n0.548916 0.977776 0.685159 C\n0.548751 0.977794 0.185150 C\n0.672937 0.144726 0.654184 C\n0.672787 0.144757 0.154182 C\n0.898652 0.409725 0.560467 C\n0.723401 0.246269 0.722571 C\n0.723039 0.246315 0.222574 C\n0.848596 0.395782 0.669705 C\n0.848326 0.395817 0.169716 C\n0.959137 0.700281 0.011872 C\n0.780237 0.234548 0.023460 S\n0.780091 0.234556 0.523447 S\n0.343984 0.971269 0.785130 O\n0.343817 0.971286 0.285119 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.5365901584128596,
"density_atomic": 0.10322939082428913,
"volume": 406.8608723216228,
"volume_molar": 5.833746292517144,
"formula_full": "H16 C22 S2 O2",
"formula_reduced": "H8C11SO",
"formula_anonymous": "ABC8D11",
"energy_above_hull": 5.506398738095238,
"spacegroup": 1
},
{
"id": "jvasp-93811",
"created_at": "2022-09-04T14:36:32.452200Z",
"updated_at": "2022-09-04T14:36:32.452224Z",
"structure_string": "Zr2 Ta1 N3\n1.0\n0.000000 0.000000 -3.075914\n-2.693333 -4.664990 0.000000\n-2.693300 4.664971 0.000000\nZr Ta N\n2 1 3\ndirect\n0.499999 0.333311 0.666662 Zr\n0.499999 0.666649 0.333337 Zr\n0.000000 0.999976 -0.000000 Ta\n0.000000 0.499993 -0.000000 N\n0.000000 0.499986 0.500005 N\n0.000000 0.999981 0.499994 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"N"
],
"chemical_system": "N-Ta-Zr",
"density": 8.709807400680049,
"density_atomic": 0.07762647073385388,
"volume": 77.29322154257522,
"volume_molar": 7.757844332054206,
"formula_full": "Zr2 Ta1 N3",
"formula_reduced": "Zr2TaN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.506644658333333,
"spacegroup": 191
},
{
"id": "jvasp-112091",
"created_at": "2022-09-04T14:38:44.595195Z",
"updated_at": "2022-09-04T14:38:44.595223Z",
"structure_string": "H16 C22 S2 O2\n1.0\n4.131912 -0.111345 -0.538587\n-2.685980 8.366285 -1.823679\n-0.005328 -0.314108 11.808749\nH C S O\n16 22 2 2\ndirect\n0.818043 0.889858 0.007918 H\n0.436688 0.657987 0.396482 H\n0.936946 0.658061 0.896510 H\n0.922252 0.732541 0.324525 H\n0.530955 0.491761 0.710532 H\n0.030716 0.491691 0.210509 H\n0.461098 0.080852 0.708450 H\n-0.039076 0.080825 0.208425 H\n0.422528 0.732626 0.824542 H\n-0.001890 0.469896 0.798907 H\n0.624383 0.216154 0.199832 H\n0.124646 0.216234 0.699845 H\n0.016989 0.960764 0.669999 H\n0.516851 0.960694 0.170022 H\n0.317821 0.889797 0.507884 H\n0.497852 0.469822 0.298886 H\n0.487830 0.579440 0.665214 C\n0.856703 0.827459 0.174518 C\n0.356724 0.827471 0.674509 C\n0.991924 0.552540 0.043657 C\n0.933199 0.670218 0.989836 C\n0.866286 0.802735 0.053279 C\n0.366166 0.802703 0.553257 C\n0.433064 0.670181 0.489818 C\n0.987697 0.579400 0.165206 C\n0.491912 0.552538 0.543657 C\n0.423076 0.715595 0.730273 C\n0.050445 0.413762 0.968150 C\n0.268865 0.976388 0.722720 C\n0.768770 0.976358 0.222723 C\n0.672834 0.160784 0.371235 C\n0.172883 0.160798 0.871229 C\n0.550402 0.413747 0.468150 C\n0.547336 0.388424 0.348623 C\n0.047504 0.388477 0.848635 C\n0.616306 0.248053 0.293255 C\n0.116479 0.248105 0.793264 C\n0.922924 0.715546 0.230267 C\n0.139499 0.254025 0.014299 S\n0.639572 0.254043 0.514312 S\n0.250606 0.020626 0.847482 O\n0.750613 0.020619 0.347494 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.5558060356936843,
"density_atomic": 0.1045203292667836,
"volume": 401.8357031080224,
"volume_molar": 5.761693253595429,
"formula_full": "H16 C22 S2 O2",
"formula_reduced": "H8C11SO",
"formula_anonymous": "ABC8D11",
"energy_above_hull": 5.507300642857143,
"spacegroup": 1
},
{
"id": "jvasp-79420",
"created_at": "2022-09-04T14:37:11.660536Z",
"updated_at": "2022-09-04T14:37:11.660562Z",
"structure_string": "Re3 Pb1\n1.0\n0.000000 3.239039 3.239039\n3.239039 0.000000 3.239039\n3.239039 3.239039 0.000000\nRe Pb\n3 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Re\n0.250000 0.250000 0.250000 Re\n0.750000 0.750000 0.750000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Re",
"Pb"
],
"chemical_system": "Pb-Re",
"density": 18.711036302302027,
"density_atomic": 0.05885474251391524,
"volume": 67.96393678987323,
"volume_molar": 10.232209848808978,
"formula_full": "Re3 Pb1",
"formula_reduced": "Re3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 5.509241204999999,
"spacegroup": 225
},
{
"id": "jvasp-100978",
"created_at": "2022-09-04T14:36:44.988038Z",
"updated_at": "2022-09-04T14:36:44.988063Z",
"structure_string": "Hf1 Tc2 Mo1\n1.0\n3.896297 -0.000000 2.249528\n1.298766 3.673464 2.249528\n-0.000000 -0.000000 4.499056\nHf Tc Mo\n1 2 1\ndirect\n0.500001 0.499999 0.500001 Hf\n0.750002 0.749999 0.750001 Tc\n0.250001 0.250000 0.250000 Tc\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Tc",
"Mo"
],
"chemical_system": "Hf-Mo-Tc",
"density": 12.130951486148529,
"density_atomic": 0.06211703966801745,
"volume": 64.39456904865192,
"volume_molar": 9.69482897476303,
"formula_full": "Hf1 Tc2 Mo1",
"formula_reduced": "HfTc2Mo",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.511680475,
"spacegroup": 225
},
{
"id": "jvasp-35022",
"created_at": "2022-09-04T14:37:33.511799Z",
"updated_at": "2022-09-04T14:37:33.511819Z",
"structure_string": "Os2 C4\n1.0\n1.444152 -2.501345 -0.000000\n1.444152 2.501345 -0.000000\n-0.000000 0.000000 7.996143\nOs C\n2 4\ndirect\n0.666667 0.333332 0.250000 Os\n0.333332 0.666667 0.750000 Os\n0.000000 0.000000 0.410916 C\n0.000000 0.000000 0.589083 C\n0.000000 0.000000 0.910916 C\n0.000000 0.000000 0.089083 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Os",
"C"
],
"chemical_system": "C-Os",
"density": 12.317021835282128,
"density_atomic": 0.10386140663962394,
"volume": 57.76929269616644,
"volume_molar": 5.798246870365904,
"formula_full": "Os2 C4",
"formula_reduced": "OsC2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.515208333333334,
"spacegroup": 194
},
{
"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
},
{
"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-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-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
}
]
}