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=230",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=228",
"results": [
{
"id": "jvasp-103981",
"created_at": "2022-09-04T14:37:09.726542Z",
"updated_at": "2022-09-04T14:37:09.726578Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n3.950046 0.107478 0.569214\n1.156631 4.384021 0.165822\n0.045335 0.076126 12.803862\nCd H C O\n1 14 9 4\ndirect\n0.884156 0.501441 0.166231 Cd\n0.890091 0.080028 0.605938 H\n0.426141 0.492643 0.837430 H\n0.042187 0.408254 0.899902 H\n0.313207 0.521575 0.646070 H\n0.881857 0.543495 0.707408 H\n0.895257 0.406591 0.527604 H\n0.545248 0.875770 0.555616 H\n0.687422 0.851857 0.893647 H\n0.125674 0.918974 0.017006 H\n0.537279 0.002717 0.724404 H\n0.105319 -0.001943 0.775476 H\n0.540134 0.649050 0.399132 H\n0.088680 0.753283 0.447549 H\n0.538693 0.187518 0.468458 H\n0.615224 0.154151 0.018893 C\n0.533255 0.073751 0.927198 C\n0.308423 0.300815 0.857887 C\n0.275661 0.151510 0.756103 C\n0.379446 0.039850 0.505368 C\n0.054268 0.230644 0.575841 C\n0.310780 0.847868 0.418891 C\n0.228234 0.011448 0.316049 C\n0.130395 0.381863 0.671426 C\n0.897787 0.957171 0.065718 O\n0.364769 0.874163 0.228988 O\n0.010642 0.282353 0.320176 O\n0.465488 0.408131 0.073417 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.253702119964181,
"density_atomic": 0.12726010759846548,
"volume": 220.02181617154022,
"volume_molar": 4.7321512401994985,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.481034419642857,
"spacegroup": 1
},
{
"id": "jvasp-109019",
"created_at": "2022-09-04T14:37:47.264829Z",
"updated_at": "2022-09-04T14:37:47.264851Z",
"structure_string": "Al2 Tc6\n1.0\n5.413882 -0.000000 0.000000\n-2.706941 4.688559 0.000000\n-0.000000 -0.000000 4.536912\nAl Tc\n2 6\ndirect\n0.333333 0.666667 0.750000 Al\n0.666666 0.333333 0.250000 Al\n0.170774 0.341549 0.250000 Tc\n0.658451 0.829226 0.250000 Tc\n0.170774 0.829226 0.250000 Tc\n0.829226 0.658451 0.750000 Tc\n0.341549 0.170774 0.750000 Tc\n0.829226 0.170774 0.750000 Tc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"Tc"
],
"chemical_system": "Al-Tc",
"density": 9.256581320566921,
"density_atomic": 0.06946746648575604,
"volume": 115.16182185282892,
"volume_molar": 8.669008767197248,
"formula_full": "Al2 Tc6",
"formula_reduced": "AlTc3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.480836825,
"spacegroup": 194
},
{
"id": "jvasp-119608",
"created_at": "2022-09-04T14:38:50.149408Z",
"updated_at": "2022-09-04T14:38:50.149438Z",
"structure_string": "Pr1 P12 Os4\n1.0\n6.672675 0.000000 -2.359147\n-3.336337 5.778706 -2.359147\n0.000000 0.000000 7.077441\nPr P Os\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.143190 0.356444 0.499635 P\n0.856809 0.643556 0.500364 P\n0.143190 0.643556 0.786746 P\n0.856809 0.356444 0.213253 P\n0.500365 0.856810 0.643555 P\n0.499634 0.143191 0.356444 P\n0.213253 0.856810 0.356444 P\n0.356444 0.499635 0.143190 P\n0.643555 0.500366 0.856809 P\n0.643555 0.786747 0.143190 P\n0.356444 0.213254 0.856809 P\n0.786746 0.143191 0.643555 P\n-0.000000 0.500000 -0.000000 Os\n-0.000000 -0.000000 0.500000 Os\n0.500000 -0.000000 -0.000000 Os\n0.500000 0.500000 0.500000 Os\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Pr",
"P",
"Os"
],
"chemical_system": "Os-P-Pr",
"density": 7.748998555586485,
"density_atomic": 0.062293408034453324,
"volume": 272.9020700006912,
"volume_molar": 9.667380466114915,
"formula_full": "Pr1 P12 Os4",
"formula_reduced": "Pr(P3Os)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 4.480687402941177,
"spacegroup": 204
},
{
"id": "jvasp-117873",
"created_at": "2022-09-04T14:38:54.170451Z",
"updated_at": "2022-09-04T14:38:54.170475Z",
"structure_string": "C1 N1 Cl1\n1.0\n3.912672 0.000000 -0.000000\n-1.956336 3.388474 0.000000\n-0.000000 -0.000000 2.726418\nC N Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 C\n0.666666 0.333333 0.000000 N\n0.333332 0.666667 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-N",
"density": 2.8238725789564385,
"density_atomic": 0.08299486337159044,
"volume": 36.146815334440504,
"volume_molar": 7.25604033232424,
"formula_full": "C1 N1 Cl1",
"formula_reduced": "CNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 4.480279105833333,
"spacegroup": 187
},
{
"id": "jvasp-101961",
"created_at": "2022-09-04T14:36:55.041210Z",
"updated_at": "2022-09-04T14:36:55.041228Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n4.022758 0.104233 0.428257\n1.073276 4.187673 0.294830\n0.058064 -0.055964 13.365775\nCd H C O\n1 14 9 4\ndirect\n0.502744 0.972637 0.831660 Cd\n0.472249 0.936414 0.436277 H\n0.886899 0.129446 0.177975 H\n0.509300 0.141526 0.121314 H\n0.709757 0.774129 0.277757 H\n0.790246 0.409144 0.348285 H\n0.100783 0.926614 0.380521 H\n0.509527 0.386330 0.515662 H\n0.942956 0.621402 0.084856 H\n0.509255 0.715144 0.053192 H\n0.204286 0.656971 0.212390 H\n0.285215 0.290686 0.282142 H\n0.124452 0.978343 0.587253 H\n0.796543 0.787137 0.591647 H\n0.109941 0.401500 0.472504 H\n0.863690 0.335540 0.970647 C\n0.738735 0.518171 0.066670 C\n0.647231 0.292365 0.152819 C\n0.411809 0.462866 0.242338 C\n0.264636 0.552227 0.495077 C\n0.344141 0.772919 0.406886 C\n0.079483 0.739004 0.588447 C\n0.188900 0.582028 0.689277 C\n0.583048 0.602504 0.317797 C\n0.134039 0.098785 0.971659 O\n0.080197 0.754333 0.767995 O\n0.390308 0.300475 0.691644 O\n0.686958 0.414828 0.894135 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.217608793726763,
"density_atomic": 0.1252220207812807,
"volume": 223.60284417471794,
"volume_molar": 4.809170721273205,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.479807633928571,
"spacegroup": 1
},
{
"id": "jvasp-112116",
"created_at": "2022-09-04T14:38:43.064504Z",
"updated_at": "2022-09-04T14:38:43.064525Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n4.057142 0.196317 0.482377\n1.391549 4.532208 -0.212011\n-0.359528 0.282863 12.759564\nCd H C O\n1 14 9 4\ndirect\n0.493375 0.269030 0.177079 Cd\n0.121124 0.652768 0.537090 H\n0.260485 0.043001 0.841627 H\n0.857174 0.029099 0.897390 H\n0.054587 0.100713 0.660082 H\n0.644127 0.095093 0.713163 H\n0.715554 0.643794 0.592821 H\n0.825645 0.163162 0.472490 H\n0.547240 0.506455 0.899244 H\n0.145418 0.531245 0.966147 H\n0.338303 0.586484 0.721805 H\n0.928025 0.580241 0.774823 H\n0.518932 0.671814 0.421798 H\n0.366528 0.026968 0.367743 H\n0.426463 0.167046 0.538173 H\n0.394635 0.810359 0.033451 C\n0.301533 0.668195 0.937745 C\n0.115941 0.888694 0.859903 C\n0.078276 0.731278 0.757435 C\n0.675134 0.017624 0.497162 C\n0.863660 0.795962 0.574527 C\n0.589758 0.866703 0.399147 C\n0.891021 0.764317 0.312803 C\n0.903804 0.950084 0.677342 C\n0.280156 0.096073 0.045966 O\n0.102350 0.496460 0.313415 O\n0.932704 0.945114 0.244971 O\n0.591643 0.648358 0.096336 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.1339501387616844,
"density_atomic": 0.1204980560043527,
"volume": 232.36889397608678,
"volume_molar": 4.997707813462538,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.479605848214286,
"spacegroup": 1
},
{
"id": "jvasp-112182",
"created_at": "2022-09-04T14:38:41.953865Z",
"updated_at": "2022-09-04T14:38:41.953887Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n4.225863 0.138091 0.360918\n0.881066 4.121010 0.202062\n0.203288 0.216112 12.927102\nCd H C O\n1 14 9 4\ndirect\n0.063111 0.991661 0.829569 Cd\n0.266786 0.029633 0.429324 H\n0.810611 0.390157 0.162751 H\n0.823044 0.050575 0.089160 H\n0.793041 0.130000 0.337473 H\n0.865514 0.749733 0.279835 H\n0.359928 0.639621 0.377248 H\n0.776427 0.880980 0.521675 H\n0.581152 0.659203 0.018593 H\n0.220552 0.624549 0.093527 H\n0.269626 0.322700 0.255315 H\n0.331496 0.947583 0.195816 H\n0.239483 0.769304 0.604027 H\n0.376843 0.360501 0.563806 H\n0.876216 0.486516 0.471080 H\n0.355047 0.333717 0.961977 C\n0.446757 0.481686 0.053908 C\n0.655887 0.252296 0.131181 C\n0.461011 0.118294 0.222826 C\n0.670390 0.690469 0.495042 C\n0.471900 0.827729 0.402749 C\n0.457289 0.573460 0.585896 C\n0.634629 0.477779 0.683463 C\n0.669443 0.953515 0.310334 C\n0.533343 0.072176 0.924087 O\n0.549563 0.650058 0.763121 O\n0.872955 0.222033 0.680740 O\n0.087271 0.474970 0.921898 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.222229581137572,
"density_atomic": 0.1254829434195833,
"volume": 223.13789617107614,
"volume_molar": 4.799170784401734,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.479579419642857,
"spacegroup": 1
},
{
"id": "jvasp-102662",
"created_at": "2022-09-04T14:36:48.196213Z",
"updated_at": "2022-09-04T14:36:48.196228Z",
"structure_string": "Ti2 Si6 W1\n1.0\n4.737286 -0.000408 0.000000\n-2.369878 4.101897 0.000000\n0.000000 0.000000 6.529406\nTi Si W\n2 6 1\ndirect\n0.500000 -0.000000 0.666956 Ti\n-0.000000 0.500000 0.333044 Ti\n0.166327 0.833673 -0.000000 Si\n0.155731 0.316536 0.666614 Si\n0.683465 0.844270 0.333386 Si\n0.833673 0.166327 -0.000000 Si\n0.844270 0.683465 0.666614 Si\n0.316536 0.155731 0.333386 Si\n0.500000 0.500000 -0.000000 W\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Si",
"W"
],
"chemical_system": "Si-Ti-W",
"density": 5.86468948472955,
"density_atomic": 0.07093753454718509,
"volume": 126.87218490816768,
"volume_molar": 8.489357289397038,
"formula_full": "Ti2 Si6 W1",
"formula_reduced": "Ti2Si6W",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.47954202962963,
"spacegroup": 21
},
{
"id": "jvasp-112196",
"created_at": "2022-09-04T14:38:45.813416Z",
"updated_at": "2022-09-04T14:38:45.813427Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n4.019901 0.110565 0.402712\n0.895008 4.249393 0.273169\n-0.085899 0.083105 13.094470\nCd H C O\n1 14 9 4\ndirect\n0.960363 0.093518 0.813894 Cd\n0.548927 0.171730 0.451171 H\n0.224701 0.769371 0.169128 H\n0.661677 0.718288 0.126766 H\n0.403143 0.715105 0.362869 H\n0.832440 0.666244 0.313927 H\n0.970108 0.116009 0.395295 H\n0.030929 0.591384 0.489706 H\n0.207748 0.271967 0.084499 H\n0.645560 0.206396 0.046651 H\n0.358022 0.243746 0.268261 H\n0.790333 0.186311 0.222931 H\n0.403944 0.819866 0.547618 H\n0.402274 0.461027 0.619053 H\n0.011441 0.244826 0.565270 H\n0.325087 0.570972 0.961015 C\n0.415006 0.394601 0.062229 C\n0.461366 0.589461 0.150586 C\n0.560537 0.371320 0.245060 C\n0.859995 0.437161 0.518287 C\n0.750461 0.297731 0.425972 C\n0.565220 0.619682 0.588556 C\n0.675341 0.743007 0.681683 C\n0.632968 0.535628 0.337405 C\n0.110337 0.841502 0.963044 O\n0.936344 0.588205 0.725935 O\n0.510644 0.013307 0.714537 O\n0.450052 0.438584 0.877841 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.228912416338788,
"density_atomic": 0.12586030399409573,
"volume": 222.46887311914895,
"volume_molar": 4.784781673721769,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.4795340625,
"spacegroup": 1
},
{
"id": "jvasp-103978",
"created_at": "2022-09-04T14:36:43.219460Z",
"updated_at": "2022-09-04T14:36:43.219487Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n3.778546 0.059985 0.437202\n0.725888 4.286057 0.360394\n0.165553 0.040197 13.634367\nCd H C O\n1 14 9 4\ndirect\n0.856001 0.042398 0.835509 Cd\n0.562957 0.317671 0.398391 H\n0.898704 0.830987 0.118211 H\n0.310653 0.836912 0.163158 H\n0.607993 0.836605 0.305521 H\n0.033822 0.820637 0.345381 H\n0.989975 0.299249 0.436828 H\n0.322468 0.797085 0.493261 H\n0.159311 0.323402 0.040858 H\n0.567632 0.309578 0.089126 H\n0.844140 0.332729 0.221109 H\n0.267410 0.320538 0.261140 H\n0.321530 0.250658 0.575028 H\n0.742806 0.244036 0.612474 H\n0.753008 0.784978 0.530567 H\n0.468221 0.645372 0.969123 C\n0.334799 0.471752 0.062961 C\n0.137654 0.678981 0.145130 C\n0.027122 0.482855 0.238622 C\n0.572831 0.638476 0.509662 C\n0.746518 0.464551 0.417770 C\n0.494629 0.404680 0.595986 C\n0.304976 0.528294 0.693051 C\n0.849687 0.673487 0.326680 C\n0.308343 0.923501 0.945558 O\n0.344133 0.342821 0.771239 O\n0.101266 0.795877 0.693435 O\n0.751346 0.521507 0.915848 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.2552876101067976,
"density_atomic": 0.12734963568842836,
"volume": 219.86713859554627,
"volume_molar": 4.728824489717173,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.479343348214286,
"spacegroup": 1
},
{
"id": "jvasp-67643",
"created_at": "2022-09-04T14:35:54.570749Z",
"updated_at": "2022-09-04T14:35:54.570770Z",
"structure_string": "Ti1 Be1 Ir4\n1.0\n-0.000000 3.620969 3.620969\n3.620969 -0.000000 3.620969\n3.620969 3.620969 0.000000\nTi Be Ir\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Be\n0.123798 0.625401 0.625401 Ir\n0.625401 0.625401 0.625401 Ir\n0.625401 0.123798 0.625401 Ir\n0.625401 0.625401 0.123798 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Ir"
],
"chemical_system": "Be-Ir-Ti",
"density": 14.440817578767218,
"density_atomic": 0.06318977871767416,
"volume": 94.95206537765263,
"volume_molar": 9.530245052615777,
"formula_full": "Ti1 Be1 Ir4",
"formula_reduced": "TiBeIr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.478774805555554,
"spacegroup": 216
},
{
"id": "jvasp-99496",
"created_at": "2022-09-04T14:36:36.789111Z",
"updated_at": "2022-09-04T14:36:36.789133Z",
"structure_string": "Zr2 Tc1 Ir1\n1.0\n4.027830 -0.000000 2.325469\n1.342610 3.797475 2.325469\n-0.000000 -0.000000 4.650938\nZr Tc Ir\n2 1 1\ndirect\n0.750000 0.749999 0.750001 Zr\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Tc\n0.500000 0.499999 0.500001 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Ir"
],
"chemical_system": "Ir-Tc-Zr",
"density": 11.033058892573361,
"density_atomic": 0.05622809701366308,
"volume": 71.13881159855053,
"volume_molar": 10.710198423639797,
"formula_full": "Zr2 Tc1 Ir1",
"formula_reduced": "Zr2TcIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.4785279000000005,
"spacegroup": 225
}
]
}