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=-density_atomic&page=1168",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=1166",
"results": [
{
"id": "jvasp-74463",
"created_at": "2022-09-04T14:36:18.638011Z",
"updated_at": "2022-09-04T14:36:18.638034Z",
"structure_string": "Be1 Cr1 W1\n1.0\n1.330579 -2.304630 0.000000\n1.330579 2.304630 -0.000000\n0.000000 -0.000000 6.313115\nBe Cr W\n1 1 1\ndirect\n-0.000000 0.000000 0.988631 Be\n0.666667 0.333333 0.687417 Cr\n0.333333 0.666667 0.323950 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Cr",
"W"
],
"chemical_system": "Be-Cr-W",
"density": 10.50099826171537,
"density_atomic": 0.0774828671345374,
"volume": 38.718236830226594,
"volume_molar": 7.772222405688026,
"formula_full": "Be1 Cr1 W1",
"formula_reduced": "BeCrW",
"formula_anonymous": "ABC",
"energy_above_hull": 4.452994499999999,
"spacegroup": 156
},
{
"id": "jvasp-120547",
"created_at": "2022-09-04T14:38:45.229895Z",
"updated_at": "2022-09-04T14:38:45.229921Z",
"structure_string": "Ba6 Ti3 Fe3 O18\n1.0\n5.681641 -0.000000 0.000000\n-2.840820 4.920446 0.000000\n-0.000000 -0.000000 13.850197\nBa Ti Fe O\n6 3 3 18\ndirect\n0.666667 0.333334 0.589891 Ba\n0.333334 0.666667 0.407680 Ba\n0.333334 0.666667 0.090316 Ba\n0.666667 0.333334 0.903997 Ba\n0.000000 0.000000 0.746983 Ba\n0.000000 0.000000 0.251151 Ba\n0.666667 0.333334 0.154107 Ti\n0.000000 0.000000 0.495715 Ti\n0.000000 0.000000 0.994052 Ti\n0.333334 0.666667 0.840077 Fe\n0.666667 0.333334 0.343082 Fe\n0.333334 0.666667 0.656506 Fe\n0.168492 0.336985 0.917310 O\n0.518508 0.037016 0.255020 O\n0.044133 0.522067 0.750386 O\n0.477934 0.522067 0.750386 O\n0.477934 0.955867 0.750386 O\n0.663016 0.831509 0.917310 O\n0.168492 0.831509 0.917310 O\n0.331067 0.165534 0.080625 O\n0.659349 0.829675 0.584411 O\n0.834467 0.668934 0.080625 O\n0.334053 0.167027 0.421446 O\n0.832973 0.167027 0.421446 O\n0.832973 0.665948 0.421446 O\n0.518508 0.481493 0.255020 O\n0.170326 0.829675 0.584411 O\n0.170326 0.340652 0.584411 O\n0.834466 0.165534 0.080625 O\n0.962984 0.481493 0.255020 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Ti",
"density": 6.103042584362228,
"density_atomic": 0.07747954205477647,
"volume": 387.19898445954425,
"volume_molar": 7.772555955148094,
"formula_full": "Ba6 Ti3 Fe3 O18",
"formula_reduced": "Ba2TiFeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.2668216773333327,
"spacegroup": 156
},
{
"id": "jvasp-52271",
"created_at": "2022-09-04T14:38:13.784033Z",
"updated_at": "2022-09-04T14:38:13.784063Z",
"structure_string": "Li2 Ag2 F4\n1.0\n0.000000 3.046636 -0.017060\n6.806016 0.000000 0.000000\n0.000000 -3.011988 -4.962787\nLi Ag F\n2 2 4\ndirect\n0.538959 0.065013 0.936085 Li\n0.538959 0.934987 0.436084 Li\n0.845902 0.392886 0.372076 Ag\n0.845902 0.607115 0.872076 Ag\n0.918235 0.064248 0.314322 F\n0.430889 0.327713 0.856366 F\n0.918235 0.935752 0.814322 F\n0.430889 0.672288 0.356366 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.914811933979071,
"density_atomic": 0.07747781643635214,
"volume": 103.25536221806125,
"volume_molar": 7.772729068774383,
"formula_full": "Li2 Ag2 F4",
"formula_reduced": "LiAgF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0161025,
"spacegroup": 7
},
{
"id": "jvasp-15211",
"created_at": "2022-09-04T14:36:44.202327Z",
"updated_at": "2022-09-04T14:36:44.202359Z",
"structure_string": "Fe1 Si1 Ru2\n1.0\n3.619704 0.000000 2.089837\n1.206568 3.412690 2.089837\n0.000000 0.000000 4.179675\nFe Si Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Si\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"Si",
"Ru"
],
"chemical_system": "Fe-Ru-Si",
"density": 9.200464657540373,
"density_atomic": 0.0774725017004698,
"volume": 51.63122284943257,
"volume_molar": 7.773262290255281,
"formula_full": "Fe1 Si1 Ru2",
"formula_reduced": "FeSiRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.821033775,
"spacegroup": 225
},
{
"id": "jvasp-118926",
"created_at": "2022-09-04T14:38:47.227834Z",
"updated_at": "2022-09-04T14:38:47.227862Z",
"structure_string": "Au1 C2\n1.0\n4.974101 0.000000 0.643277\n0.000000 3.125973 0.000000\n0.323979 0.000000 2.532355\nAu C\n1 2\ndirect\n0.466668 0.000000 0.133305 Au\n-0.093077 0.000000 -0.087009 C\n0.026409 0.000000 0.353704 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Au",
"C"
],
"chemical_system": "Au-C",
"density": 9.476303814914145,
"density_atomic": 0.07747159594601187,
"volume": 38.7238698695536,
"volume_molar": 7.773353170879154,
"formula_full": "Au1 C2",
"formula_reduced": "AuC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.9534225233333338,
"spacegroup": 65
},
{
"id": "jvasp-99922",
"created_at": "2022-09-04T14:36:35.573473Z",
"updated_at": "2022-09-04T14:36:35.573499Z",
"structure_string": "Ti1 Cr2 Si6\n1.0\n4.575123 -0.004984 0.000000\n-2.248372 3.984546 0.000000\n0.000000 0.000000 6.376656\nTi Cr Si\n1 2 6\ndirect\n0.500000 0.500001 0.500000 Ti\n0.500000 0.000000 0.166524 Cr\n0.000000 0.500001 0.833476 Cr\n0.161228 0.838774 0.500000 Si\n0.159124 0.330067 0.162464 Si\n0.669934 0.840878 0.837537 Si\n0.838773 0.161228 0.500000 Si\n0.840877 0.669935 0.162464 Si\n0.330067 0.159124 0.837537 Si\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Cr",
"Si"
],
"chemical_system": "Cr-Si-Ti",
"density": 4.57927111491704,
"density_atomic": 0.07747024778550173,
"volume": 116.17363126188835,
"volume_molar": 7.773488445104756,
"formula_full": "Ti1 Cr2 Si6",
"formula_reduced": "Ti(CrSi3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.206917192592593,
"spacegroup": 21
},
{
"id": "jvasp-117382",
"created_at": "2022-09-04T14:38:27.167850Z",
"updated_at": "2022-09-04T14:38:27.167875Z",
"structure_string": "K3 Ti8 O17\n1.0\n8.008351 -0.022176 0.704574\n7.099913 3.704783 0.704574\n-0.028765 -0.007011 12.115461\nK Ti O\n3 8 17\ndirect\n0.557931 0.557929 0.164233 K\n0.442625 0.442624 0.820869 K\n0.510830 0.510828 0.455178 K\n0.199029 0.199028 0.423419 Ti\n0.804067 0.804065 0.578953 Ti\n0.887809 0.887806 0.070232 Ti\n0.111086 0.111086 0.928626 Ti\n0.755877 0.755875 0.830653 Ti\n0.150309 0.150309 0.674325 Ti\n0.848978 0.848975 0.324567 Ti\n0.243138 0.243137 0.170749 Ti\n0.105962 0.105962 0.535174 O\n0.227745 0.227745 0.816127 O\n0.772054 0.772052 0.185805 O\n0.148630 0.148629 0.293042 O\n0.850266 0.850263 0.710908 O\n-0.000159 -0.000159 0.000668 O\n0.894053 0.894050 0.464884 O\n0.725640 0.725638 0.433602 O\n0.684727 0.684725 0.675928 O\n0.364882 0.364881 0.090405 O\n0.635103 0.635101 0.913307 O\n0.274212 0.274211 0.568241 O\n0.940415 0.940412 0.226965 O\n0.172370 0.172370 0.063228 O\n0.827700 0.827698 0.938143 O\n0.316044 0.316043 0.325741 O\n0.061598 0.061598 0.777040 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Ti",
"O"
],
"chemical_system": "K-O-Ti",
"density": 3.547725000997848,
"density_atomic": 0.07746712585567521,
"volume": 361.44364065042606,
"volume_molar": 7.7738017171561555,
"formula_full": "K3 Ti8 O17",
"formula_reduced": "K3Ti8O17",
"formula_anonymous": "A3B8C17",
"energy_above_hull": 3.043490005952381,
"spacegroup": 8
},
{
"id": "jvasp-117374",
"created_at": "2022-09-04T14:38:26.422953Z",
"updated_at": "2022-09-04T14:38:26.422983Z",
"structure_string": "Pr3 Bi1 Ru4 O14\n1.0\n6.403417 0.000000 3.725869\n-4.285669 6.043086 0.000000\n0.010226 0.007252 7.347935\nPr Bi Ru O\n3 1 4 14\ndirect\n0.250000 0.375000 0.375000 Pr\n0.250000 0.875000 0.375000 Pr\n0.750001 0.375000 0.375000 Pr\n0.750001 0.375000 0.874999 Bi\n0.750001 0.875000 0.375000 Ru\n0.250001 0.875000 0.874999 Ru\n0.250001 0.375000 0.874999 Ru\n0.750001 0.875000 0.874999 Ru\n0.402476 0.201237 0.802876 O\n0.000015 0.795708 0.204277 O\n0.000015 0.204307 0.204277 O\n0.591417 0.795708 0.204277 O\n0.504116 0.548763 0.947122 O\n0.504116 0.955353 0.947122 O\n0.908585 0.954292 0.545722 O\n0.499986 0.954292 0.545722 O\n0.499986 0.545694 0.545722 O\n0.995886 0.794648 0.802876 O\n0.999914 0.499956 0.500130 O\n0.500087 0.250044 0.249869 O\n0.097525 0.548763 0.947122 O\n0.995886 0.201237 0.802876 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Pr",
"Bi",
"Ru",
"O"
],
"chemical_system": "Bi-O-Pr-Ru",
"density": 7.367226267840078,
"density_atomic": 0.0774668114983365,
"volume": 283.9925843659181,
"volume_molar": 7.7738332629442475,
"formula_full": "Pr3 Bi1 Ru4 O14",
"formula_reduced": "Pr3Bi(Ru2O7)2",
"formula_anonymous": "AB3C4D14",
"energy_above_hull": 3.240154311363636,
"spacegroup": 166
},
{
"id": "jvasp-43469",
"created_at": "2022-09-04T14:37:12.273529Z",
"updated_at": "2022-09-04T14:37:12.273549Z",
"structure_string": "Zr4 N4 O2\n1.0\n3.478745 0.001332 0.008843\n-0.001745 4.329322 0.006212\n-0.021501 -1.609346 8.568877\nZr N O\n4 4 2\ndirect\n0.750129 0.290622 0.106440 Zr\n0.750324 0.122859 0.670744 Zr\n0.250269 0.877999 0.328285 Zr\n0.250351 0.710236 0.892588 Zr\n0.250059 0.330254 0.248792 N\n0.249918 0.215619 0.901784 N\n0.749676 0.785240 0.097246 N\n0.750149 0.670603 0.750237 N\n0.750253 0.812287 0.437274 O\n0.250279 0.188571 0.561755 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"N",
"O"
],
"chemical_system": "N-O-Zr",
"density": 5.826205487072279,
"density_atomic": 0.07746645236605777,
"volume": 129.0881367943156,
"volume_molar": 7.773869302215038,
"formula_full": "Zr4 N4 O2",
"formula_reduced": "Zr2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.0937138,
"spacegroup": 11
},
{
"id": "jvasp-101755",
"created_at": "2022-09-04T14:36:36.389865Z",
"updated_at": "2022-09-04T14:36:36.389892Z",
"structure_string": "Si2 Sn2 N4\n1.0\n4.389389 0.000000 2.335809\n1.533058 4.449958 2.411233\n0.002014 -0.000093 5.288330\nSi Sn N\n2 2 4\ndirect\n0.620143 0.879475 0.879475 Si\n0.879094 0.120526 0.120525 Si\n0.178609 0.369720 0.369719 Sn\n0.418047 0.630282 0.630280 Sn\n0.935036 0.909674 0.909672 N\n0.254383 0.090327 0.090327 N\n0.627345 0.500000 -0.000000 N\n0.627343 0.000000 0.500000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Si",
"Sn",
"N"
],
"chemical_system": "N-Si-Sn",
"density": 5.621463403745112,
"density_atomic": 0.07746343328341003,
"volume": 103.27453433068169,
"volume_molar": 7.774172283285219,
"formula_full": "Si2 Sn2 N4",
"formula_reduced": "SiSnN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3197141999999995,
"spacegroup": 46
},
{
"id": "jvasp-66757",
"created_at": "2022-09-04T14:36:18.004134Z",
"updated_at": "2022-09-04T14:36:18.004149Z",
"structure_string": "Be1 Zn1 Mo1\n1.0\n-1.320652 1.320652 5.551305\n1.320652 -1.320652 5.551305\n1.320652 1.320652 -5.551305\nBe Zn Mo\n1 1 1\ndirect\n0.004014 0.004014 0.000000 Be\n0.652252 0.652252 0.000000 Zn\n0.343735 0.343735 0.000000 Mo\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Mo"
],
"chemical_system": "Be-Mo-Zn",
"density": 7.304455959802747,
"density_atomic": 0.07746212158886263,
"volume": 38.72860616860944,
"volume_molar": 7.7743039261990114,
"formula_full": "Be1 Zn1 Mo1",
"formula_reduced": "BeZnMo",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8974008,
"spacegroup": 107
},
{
"id": "jvasp-119710",
"created_at": "2022-09-04T14:38:50.430758Z",
"updated_at": "2022-09-04T14:38:50.430784Z",
"structure_string": "Sm4 Mo4 O14\n1.0\n6.389721 -0.000000 3.689107\n2.129907 6.024287 3.689107\n-0.000000 -0.000000 7.378215\nSm Mo O\n4 4 14\ndirect\n0.125000 0.125000 0.625000 Sm\n0.125000 0.125000 0.125000 Sm\n0.625000 0.125000 0.125000 Sm\n0.125000 0.625000 0.125000 Sm\n0.625000 0.625000 0.625000 Mo\n0.125000 0.625000 0.625000 Mo\n0.625000 0.125000 0.625000 Mo\n0.625000 0.625000 0.125000 Mo\n0.958637 0.958638 0.541363 O\n0.250000 0.250000 0.250000 O\n0.708637 0.708638 0.291363 O\n0.541363 0.958638 0.958637 O\n0.541363 0.958638 0.541363 O\n0.291363 0.708638 0.708637 O\n0.958637 0.541363 0.958637 O\n0.000000 0.000000 0.000000 O\n0.708637 0.291363 0.291363 O\n0.958637 0.541363 0.541363 O\n0.291363 0.708638 0.291363 O\n0.291363 0.291363 0.708637 O\n0.541363 0.541363 0.958637 O\n0.708637 0.291363 0.708637 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sm",
"Mo",
"O"
],
"chemical_system": "Mo-O-Sm",
"density": 7.069771273441305,
"density_atomic": 0.07746112947000154,
"volume": 284.0134161550015,
"volume_molar": 7.774403499153985,
"formula_full": "Sm4 Mo4 O14",
"formula_reduced": "Sm2Mo2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.2529121863636363,
"spacegroup": 227
}
]
}