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=1292",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1290",
"results": [
{
"id": "jvasp-35331",
"created_at": "2022-09-04T14:37:37.110952Z",
"updated_at": "2022-09-04T14:37:37.110961Z",
"structure_string": "Er1 In1 Co4\n1.0\n-3.503622 -3.503622 0.000000\n-3.503622 0.000000 -3.503622\n0.000000 -3.503622 -3.503622\nEr In Co\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Er\n0.000000 0.000000 0.000000 In\n0.374526 0.374526 0.374526 Co\n0.876420 0.374526 0.374526 Co\n0.374526 0.876420 0.374526 Co\n0.374526 0.374526 0.876420 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"In",
"Co"
],
"chemical_system": "Co-Er-In",
"density": 9.996261680187922,
"density_atomic": 0.06975406482205401,
"volume": 86.0164925915972,
"volume_molar": 8.633390434468259,
"formula_full": "Er1 In1 Co4",
"formula_reduced": "ErInCo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.5613655949999994,
"spacegroup": 216
},
{
"id": "jvasp-42821",
"created_at": "2022-09-04T14:35:53.384917Z",
"updated_at": "2022-09-04T14:35:53.384928Z",
"structure_string": "Li2 Fe2 Co2 O8\n1.0\n5.635045 0.027915 0.076544\n0.046326 5.634924 0.076544\n2.857221 2.847902 4.088592\nLi Fe Co O\n2 2 2 8\ndirect\n0.000001 0.500000 -0.000001 Li\n0.500000 -0.000000 0.499999 Li\n0.000001 0.500000 0.499999 Fe\n0.500000 -0.000000 -0.000001 Fe\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.235155 0.210444 0.027248 O\n0.239689 0.760279 0.020547 O\n0.210445 0.235155 0.527247 O\n0.239722 0.760312 0.479451 O\n0.760279 0.239688 0.520546 O\n0.789557 0.764845 0.472750 O\n0.760312 0.239721 0.979451 O\n0.764846 0.789555 0.972750 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.842221191006378,
"density_atomic": 0.10991131054873504,
"volume": 127.37542596939879,
"volume_molar": 5.479091032519136,
"formula_full": "Li2 Fe2 Co2 O8",
"formula_reduced": "LiFeCoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.561251485714285,
"spacegroup": 74
},
{
"id": "jvasp-18761",
"created_at": "2022-09-04T14:36:53.603200Z",
"updated_at": "2022-09-04T14:36:53.603221Z",
"structure_string": "Ni4 W1\n1.0\n3.260642 0.000000 1.429647\n1.630321 4.060337 0.714825\n-0.000120 -0.000001 4.433425\nNi W\n4 1\ndirect\n0.199379 0.200626 0.400615 Ni\n0.599993 0.599385 0.200625 Ni\n0.400005 0.400616 0.799374 Ni\n0.800620 0.799375 0.599384 Ni\n0.000000 0.000000 0.000000 W\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ni",
"W"
],
"chemical_system": "Ni-W",
"density": 11.842754109506792,
"density_atomic": 0.0851844424765041,
"volume": 58.69616393133194,
"volume_molar": 7.069531225330319,
"formula_full": "Ni4 W1",
"formula_reduced": "Ni4W",
"formula_anonymous": "AB4",
"energy_above_hull": 2.56124592,
"spacegroup": 87
},
{
"id": "jvasp-45802",
"created_at": "2022-09-04T14:36:11.435273Z",
"updated_at": "2022-09-04T14:36:11.435300Z",
"structure_string": "Li8 Cr3 Te1 O12\n1.0\n0.000000 4.969550 -0.008404\n8.513838 0.000000 0.000000\n0.000000 -0.033595 -4.975561\nLi Cr Te O\n8 3 1 12\ndirect\n-0.000000 0.416596 0.500000 Li\n-0.000000 0.706846 0.500000 Li\n0.500000 0.745169 0.500000 Li\n0.500000 0.079441 0.500000 Li\n0.000000 0.548669 0.000000 Li\n0.000000 0.264011 0.000000 Li\n0.500000 0.931822 -0.000000 Li\n0.500000 0.244163 -0.000000 Li\n0.500000 0.406358 0.500000 Cr\n0.500000 0.570640 -0.000000 Cr\n-0.000000 0.097467 0.500000 Cr\n0.000000 0.899189 0.000000 Te\n0.758183 0.744046 0.842389 O\n0.779159 0.069111 0.830310 O\n0.722868 0.414272 0.826446 O\n0.280830 0.566567 0.668662 O\n0.223314 0.918191 0.677963 O\n0.254805 0.246453 0.645243 O\n0.745194 0.246453 0.354756 O\n0.776685 0.918191 0.322036 O\n0.719169 0.566567 0.331337 O\n0.277131 0.414272 0.173553 O\n0.220840 0.069111 0.169689 O\n0.241816 0.744046 0.157610 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Te",
"O"
],
"chemical_system": "Cr-Li-O-Te",
"density": 4.18931849898523,
"density_atomic": 0.11400444404999033,
"volume": 210.51810918420102,
"volume_molar": 5.282373691817948,
"formula_full": "Li8 Cr3 Te1 O12",
"formula_reduced": "Li8Cr3TeO12",
"formula_anonymous": "AB3C8D12",
"energy_above_hull": 2.5612000819444454,
"spacegroup": 3
},
{
"id": "jvasp-120097",
"created_at": "2022-09-04T14:38:38.615232Z",
"updated_at": "2022-09-04T14:38:38.615262Z",
"structure_string": "N1 Cl1 O2\n1.0\n3.538121 0.000000 0.000000\n0.000000 3.538121 0.000000\n0.000000 0.000000 4.203648\nN Cl O\n1 1 2\ndirect\n0.500000 0.500000 0.581158 N\n0.000000 0.000000 -0.031300 Cl\n0.000000 0.000000 0.600351 O\n0.500000 0.500000 0.859792 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O",
"density": 2.5704774668386197,
"density_atomic": 0.07601307233037623,
"volume": 52.62252764386062,
"volume_molar": 7.922506715457996,
"formula_full": "N1 Cl1 O2",
"formula_reduced": "NClO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.561136079375,
"spacegroup": 99
},
{
"id": "jvasp-120472",
"created_at": "2022-09-04T14:38:50.898527Z",
"updated_at": "2022-09-04T14:38:50.898545Z",
"structure_string": "Nd2 Al20 Ru4\n1.0\n6.876896 0.011389 0.000000\n-0.814292 6.828525 0.000000\n0.000000 0.000000 9.216241\nNd Al Ru\n2 20 4\ndirect\n0.874698 0.125302 0.750000 Nd\n0.125303 0.874698 0.250000 Nd\n0.481875 0.219004 0.250000 Al\n0.518126 0.780997 0.750000 Al\n0.780997 0.518126 0.250000 Al\n0.219004 0.481875 0.750000 Al\n0.586743 0.856298 0.250000 Al\n0.413257 0.143703 0.750000 Al\n0.143703 0.413257 0.250000 Al\n0.856298 0.586743 0.750000 Al\n0.841072 0.158929 0.398222 Al\n0.158929 0.841072 0.601778 Al\n0.841072 0.158929 0.101778 Al\n0.226408 0.226408 -0.000000 Al\n0.773593 0.773593 -0.000000 Al\n0.773593 0.773593 0.500000 Al\n0.226408 0.226408 0.500000 Al\n0.623251 0.376749 0.952585 Al\n0.376749 0.623252 0.047415 Al\n0.376749 0.623252 0.452585 Al\n0.623251 0.376749 0.547415 Al\n0.158929 0.841072 0.898222 Al\n0.500000 0.000000 -0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n0.000000 0.500000 -0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Nd",
"Al",
"Ru"
],
"chemical_system": "Al-Nd-Ru",
"density": 4.727592130995943,
"density_atomic": 0.060064021209810886,
"volume": 432.8714507671549,
"volume_molar": 10.026203105789296,
"formula_full": "Nd2 Al20 Ru4",
"formula_reduced": "Nd(Al5Ru)2",
"formula_anonymous": "AB2C10",
"energy_above_hull": 2.561081576923077,
"spacegroup": 63
},
{
"id": "jvasp-55257",
"created_at": "2022-09-04T14:38:34.018710Z",
"updated_at": "2022-09-04T14:38:34.018721Z",
"structure_string": "Ba2 Si6 Sn2 O18\n1.0\n3.404149 -5.896158 0.000000\n3.404149 5.896158 -0.000000\n-0.000000 -0.000000 9.978959\nBa Si Sn O\n2 6 2 18\ndirect\n0.333333 0.666667 0.500000 Ba\n0.333333 0.666667 0.000000 Ba\n0.283230 0.219441 0.250000 Si\n0.936212 0.716770 0.250000 Si\n0.780559 0.063789 0.250000 Si\n0.936212 0.219441 0.750000 Si\n0.283230 0.063789 0.750000 Si\n0.780559 0.716770 0.750000 Si\n0.666667 0.333333 0.000000 Sn\n0.666667 0.333333 0.500000 Sn\n0.194318 0.944480 0.250000 O\n0.750163 0.805683 0.250000 O\n0.055520 0.249838 0.250000 O\n0.750163 0.944480 0.750000 O\n0.194318 0.249838 0.750000 O\n0.055520 0.805683 0.750000 O\n0.925060 0.345291 0.614106 O\n0.925060 0.345291 0.885895 O\n0.925060 0.579769 0.385895 O\n0.654709 0.074941 0.114106 O\n0.925060 0.579769 0.114106 O\n0.420232 0.345291 0.114106 O\n0.654709 0.579769 0.885895 O\n0.420232 0.345291 0.385895 O\n0.654709 0.579769 0.614106 O\n0.654709 0.074941 0.385895 O\n0.420232 0.074941 0.885895 O\n0.420232 0.074941 0.614106 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ba",
"Si",
"Sn",
"O"
],
"chemical_system": "Ba-O-Si-Sn",
"density": 4.015040986618662,
"density_atomic": 0.0698980602284461,
"volume": 400.5833625209097,
"volume_molar": 8.61560498291081,
"formula_full": "Ba2 Si6 Sn2 O18",
"formula_reduced": "BaSi3SnO9",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 2.561065355,
"spacegroup": 188
},
{
"id": "jvasp-9960",
"created_at": "2022-09-04T14:37:18.597217Z",
"updated_at": "2022-09-04T14:37:18.597236Z",
"structure_string": "Ca2 Mn4 O8\n1.0\n3.077340 0.000000 0.000000\n-1.538670 4.933619 0.000000\n0.000000 -0.000000 9.797948\nCa Mn O\n2 4 8\ndirect\n0.391406 0.782812 0.750000 Ca\n0.608594 0.217188 0.250000 Ca\n0.865338 0.730677 0.068276 Mn\n0.134662 0.269323 0.931724 Mn\n0.865338 0.730677 0.431724 Mn\n0.134662 0.269323 0.568277 Mn\n0.228054 0.456108 0.393658 O\n0.771946 0.543892 0.606343 O\n0.771946 0.543892 0.893658 O\n0.228054 0.456108 0.106342 O\n0.936225 0.872449 0.250000 O\n0.063775 0.127551 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.776596920813748,
"density_atomic": 0.09411347633946969,
"volume": 148.75659198372023,
"volume_molar": 6.3988081135989345,
"formula_full": "Ca2 Mn4 O8",
"formula_reduced": "CaMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.560985557536945,
"spacegroup": 63
},
{
"id": "jvasp-33000",
"created_at": "2022-09-04T14:37:27.283107Z",
"updated_at": "2022-09-04T14:37:27.283130Z",
"structure_string": "H4 S2 O8\n1.0\n3.718881 2.278998 -1.754772\n-3.718881 2.278998 1.754772\n-0.516208 0.000000 8.554645\nH S O\n4 2 8\ndirect\n0.714413 0.541016 0.616596 H\n0.458985 0.285588 0.116596 H\n0.293171 0.762886 0.895901 H\n0.237115 0.706830 0.395901 H\n0.885752 0.933787 0.747637 S\n0.066214 0.114249 0.247637 S\n0.734263 0.715841 0.894571 O\n0.684423 0.756174 0.588448 O\n0.243827 0.315578 0.088448 O\n0.284160 0.265738 0.394571 O\n0.258908 0.963127 0.799100 O\n0.917354 0.281301 0.671133 O\n0.718700 0.082646 0.171134 O\n0.036875 0.741092 0.299101 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"H",
"S",
"O"
],
"chemical_system": "H-O-S",
"density": 2.3121162761268867,
"density_atomic": 0.09937677226639786,
"volume": 140.87799070863767,
"volume_molar": 6.059907785952772,
"formula_full": "H4 S2 O8",
"formula_reduced": "H2SO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.5608991428571426,
"spacegroup": 9
},
{
"id": "jvasp-54701",
"created_at": "2022-09-04T14:37:50.714255Z",
"updated_at": "2022-09-04T14:37:50.714277Z",
"structure_string": "H4 S2 O8\n1.0\n3.729182 2.282640 -1.729729\n-3.729182 2.282640 1.729729\n-0.562206 0.000000 8.549402\nH S O\n4 2 8\ndirect\n0.717192 0.537779 0.604650 H\n0.462221 0.282808 0.104650 H\n0.295240 0.758928 0.883801 H\n0.241072 0.704760 0.383801 H\n0.888237 0.930178 0.735818 S\n0.069823 0.111762 0.235818 S\n0.736606 0.712300 0.882595 O\n0.687576 0.753072 0.576527 O\n0.246928 0.312424 0.076527 O\n0.287700 0.263393 0.382596 O\n0.261101 0.959273 0.787308 O\n0.919658 0.277351 0.659534 O\n0.722649 0.080342 0.159534 O\n0.040728 0.738898 0.287308 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"H",
"S",
"O"
],
"chemical_system": "H-O-S",
"density": 2.3082829129418845,
"density_atomic": 0.09921201097641269,
"volume": 141.11194665057693,
"volume_molar": 6.069971468909891,
"formula_full": "H4 S2 O8",
"formula_reduced": "H2SO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.560872,
"spacegroup": 9
},
{
"id": "jvasp-43175",
"created_at": "2022-09-04T14:36:18.445155Z",
"updated_at": "2022-09-04T14:36:18.445185Z",
"structure_string": "Li4 Fe3 O8\n1.0\n5.559865 -0.000884 -0.003264\n-2.779242 4.815310 0.003318\n-2.777750 -1.605612 5.034034\nLi Fe O\n4 3 8\ndirect\n0.994958 0.998101 0.993063 Li\n0.286851 0.644026 0.930915 Li\n0.999613 0.500396 0.500021 Li\n0.717980 0.359668 0.077613 Li\n0.495696 0.004640 0.500347 Fe\n0.008116 0.004657 0.500336 Fe\n0.495677 0.492224 0.500342 Fe\n0.536532 0.768883 0.305391 O\n0.030576 0.254431 0.284985 O\n0.507608 0.254428 0.285008 O\n0.030592 0.777407 0.285000 O\n0.474643 0.237876 0.712549 O\n0.962079 0.742821 0.704927 O\n0.484487 0.742805 0.704943 O\n0.962099 0.220413 0.704934 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 3.984505123140454,
"density_atomic": 0.11133164801031936,
"volume": 134.73257845432815,
"volume_molar": 5.409190349398049,
"formula_full": "Li4 Fe3 O8",
"formula_reduced": "Li4Fe3O8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.560869633333333,
"spacegroup": 160
},
{
"id": "jvasp-98162",
"created_at": "2022-09-04T14:35:45.767111Z",
"updated_at": "2022-09-04T14:35:45.767128Z",
"structure_string": "K4 Fe2 H8 S4 O20\n1.0\n6.782686 -0.033474 -2.503118\n-2.280643 9.986121 -3.505594\n0.016268 -0.015202 6.459380\nK Fe H S O\n4 2 8 4 20\ndirect\n0.746433 0.900899 0.189104 K\n0.253569 0.099101 0.810897 K\n0.238118 0.575496 0.812831 K\n0.761883 0.424505 0.187170 K\n0.473038 0.750054 0.498506 Fe\n0.526964 0.249947 0.501495 Fe\n0.073624 0.714062 0.369484 H\n0.827894 0.205161 0.343863 H\n0.172108 0.794840 0.656138 H\n0.926378 0.285938 0.630517 H\n0.820301 0.700834 0.562855 H\n0.151219 0.141622 0.375400 H\n0.848783 0.858379 0.624601 H\n0.179700 0.299166 0.437146 H\n0.273261 0.924948 0.173206 S\n0.726741 0.075053 0.826795 S\n0.728983 0.584136 0.813467 S\n0.271018 0.415865 0.186534 S\n0.165309 0.428756 0.350864 O\n0.875004 0.636081 0.064068 O\n0.124998 0.363919 0.935933 O\n0.229472 0.230171 0.500372 O\n0.400160 0.548921 0.243551 O\n0.770529 0.769830 0.499629 O\n0.834693 0.571245 0.649137 O\n0.599841 0.451080 0.756450 O\n0.409315 0.320404 0.217428 O\n0.433729 0.045925 0.237917 O\n0.622670 0.185171 0.787995 O\n0.377332 0.814829 0.212006 O\n0.846079 0.041783 0.679027 O\n0.153922 0.958217 0.320974 O\n0.858364 0.121344 0.084559 O\n0.141638 0.878657 0.915442 O\n0.566272 0.954075 0.762084 O\n0.189384 0.729367 0.518712 O\n0.590686 0.679597 0.782573 O\n0.810618 0.270634 0.481289 O\n",
"nsites": 38,
"nelements": 5,
"elements": [
"K",
"Fe",
"H",
"S",
"O"
],
"chemical_system": "Fe-H-K-O-S",
"density": 2.7527338743840333,
"density_atomic": 0.086960784741695,
"volume": 436.97857733084805,
"volume_molar": 6.925122373133979,
"formula_full": "K4 Fe2 H8 S4 O20",
"formula_reduced": "K2FeH4(SO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.5608471842105263,
"spacegroup": 2
}
]
}