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=384",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=382",
"results": [
{
"id": "jvasp-101902",
"created_at": "2022-09-04T14:36:41.644683Z",
"updated_at": "2022-09-04T14:36:41.644705Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.972551 0.128883 0.183689\n1.214998 4.136928 0.643123\n0.065704 -0.293237 7.229982\nZn H C O\n1 4 4 4\ndirect\n0.700928 0.843129 0.273233 Zn\n-0.002062 0.558253 0.675815 H\n0.170049 0.123399 0.721430 H\n0.512718 0.614511 0.836291 H\n0.677744 0.182157 0.887899 H\n0.464700 0.336394 0.520969 C\n0.238270 0.349741 0.696996 C\n0.439000 0.391247 0.864558 C\n0.210124 0.421260 0.039859 C\n0.402046 0.595970 0.410294 O\n0.704547 0.069253 0.494705 O\n0.255673 0.187735 0.166367 O\n0.965692 0.695382 0.049766 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.54683841504409,
"density_atomic": 0.10986619913478857,
"volume": 118.3257462474973,
"volume_molar": 5.481340764880543,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.958384184615385,
"spacegroup": 1
},
{
"id": "jvasp-103904",
"created_at": "2022-09-04T14:37:01.274159Z",
"updated_at": "2022-09-04T14:37:01.274185Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n4.430100 0.152223 0.614198\n1.437694 4.288580 1.272827\n0.276481 0.179445 6.525107\nZn H C O\n1 4 4 4\ndirect\n0.433193 0.790289 0.262409 Zn\n0.162346 0.050322 0.844826 H\n0.255712 0.375467 0.663625 H\n0.623790 0.694044 0.710133 H\n0.884045 0.633807 0.901910 H\n0.991962 0.200216 0.533577 C\n0.059601 0.275999 0.726019 C\n0.785420 0.508234 0.829774 C\n0.578021 0.357753 0.006137 C\n0.183605 0.929312 0.505143 O\n0.776325 0.386618 0.408300 O\n0.345036 0.529327 0.108213 O\n0.641840 0.058666 0.043828 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.4902753046885735,
"density_atomic": 0.1074261644983962,
"volume": 121.01334959412128,
"volume_molar": 5.605841731499132,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.95835956923077,
"spacegroup": 1
},
{
"id": "jvasp-18880",
"created_at": "2022-09-04T14:36:36.519364Z",
"updated_at": "2022-09-04T14:36:36.519389Z",
"structure_string": "Ta1 Mn2 O3\n1.0\n2.445257 -4.235310 -0.000000\n2.445257 4.235310 0.000000\n0.000000 -0.000000 3.032390\nTa Mn O\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.333334 0.666668 0.500000 Mn\n0.666668 0.333334 0.500000 Mn\n0.500001 0.500001 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ta",
"density": 8.957692525411119,
"density_atomic": 0.0955270759728639,
"volume": 62.80941752791012,
"volume_molar": 6.304119223444767,
"formula_full": "Ta1 Mn2 O3",
"formula_reduced": "TaMn2O3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.958224030459769,
"spacegroup": 191
},
{
"id": "jvasp-13820",
"created_at": "2022-09-04T14:38:16.534152Z",
"updated_at": "2022-09-04T14:38:16.534176Z",
"structure_string": "Ta1 Mn2 O3\n1.0\n2.445257 -4.235310 0.000000\n2.445257 4.235310 -0.000000\n0.000000 0.000000 3.032390\nTa Mn O\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.333334 0.666668 0.500000 Mn\n0.666668 0.333334 0.500000 Mn\n0.500001 0.500001 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ta",
"density": 8.957692525411119,
"density_atomic": 0.0955270759728639,
"volume": 62.80941752791012,
"volume_molar": 6.304119223444767,
"formula_full": "Ta1 Mn2 O3",
"formula_reduced": "TaMn2O3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.958224030459769,
"spacegroup": 191
},
{
"id": "jvasp-52219",
"created_at": "2022-09-04T14:35:43.837210Z",
"updated_at": "2022-09-04T14:35:43.837232Z",
"structure_string": "U3 O5\n1.0\n-3.828672 -0.000184 0.001477\n1.913858 3.315793 -0.003052\n-0.003313 -0.006481 -9.411072\nU O\n3 5\ndirect\n0.004179 0.998276 0.000119 U\n0.670809 0.331602 0.658706 U\n0.337476 0.664922 0.329372 U\n0.670819 0.331594 0.414560 O\n0.004117 -0.001749 0.761634 O\n0.337442 0.664921 0.580867 O\n0.004138 0.998262 0.243163 O\n0.337566 0.664961 0.057356 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 11.037037195084226,
"density_atomic": 0.06696179667111148,
"volume": 119.47110737324861,
"volume_molar": 8.993397816934714,
"formula_full": "U3 O5",
"formula_reduced": "U3O5",
"formula_anonymous": "A3B5",
"energy_above_hull": 3.9581894375,
"spacegroup": 156
},
{
"id": "jvasp-18561",
"created_at": "2022-09-04T14:36:44.963451Z",
"updated_at": "2022-09-04T14:36:44.963471Z",
"structure_string": "Ce1 Si2 Ru3\n1.0\n2.805830 -4.859840 0.000000\n2.805830 4.859840 0.000000\n0.000000 0.000000 3.625357\nCe Si Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Si",
"Ru"
],
"chemical_system": "Ce-Ru-Si",
"density": 8.389148478638546,
"density_atomic": 0.060685809539228495,
"volume": 98.86990130899518,
"volume_molar": 9.923474376834621,
"formula_full": "Ce1 Si2 Ru3",
"formula_reduced": "CeSi2Ru3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.958057366666667,
"spacegroup": 191
},
{
"id": "jvasp-23755",
"created_at": "2022-09-04T14:37:34.223439Z",
"updated_at": "2022-09-04T14:37:34.223465Z",
"structure_string": "Mg4 Si2 B4 Ir10\n1.0\n9.420489 0.000000 0.000000\n-0.000000 9.420489 -0.000000\n-0.000000 -0.000000 2.919934\nMg Si B Ir\n4 2 4 10\ndirect\n0.674908 0.825092 0.000000 Mg\n0.825092 0.325092 0.000000 Mg\n0.174908 0.674908 0.000000 Mg\n0.325092 0.174908 0.000000 Mg\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.873972 0.626028 0.000000 B\n0.626028 0.126028 0.000000 B\n0.373972 0.873972 0.000000 B\n0.126028 0.373972 0.000000 B\n0.927517 0.790732 0.499999 Ir\n0.500000 0.000000 0.499999 Ir\n0.572483 0.290732 0.499999 Ir\n0.709269 0.572483 0.499999 Ir\n0.290732 0.427517 0.499999 Ir\n0.209268 0.927517 0.499999 Ir\n0.000000 0.500000 0.499999 Ir\n0.072483 0.209268 0.499999 Ir\n0.790732 0.072483 0.499999 Ir\n0.427517 0.709269 0.499999 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Si",
"B",
"Ir"
],
"chemical_system": "B-Ir-Mg-Si",
"density": 13.57751083093783,
"density_atomic": 0.0771809405986758,
"volume": 259.1313327469754,
"volume_molar": 7.802626805643415,
"formula_full": "Mg4 Si2 B4 Ir10",
"formula_reduced": "Mg2SiB2Ir5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 3.9580087366666663,
"spacegroup": 127
},
{
"id": "jvasp-91327",
"created_at": "2022-09-04T14:35:51.031651Z",
"updated_at": "2022-09-04T14:35:51.031661Z",
"structure_string": "Nd4 W6 O24\n1.0\n6.914792 0.002318 -1.317741\n-2.979470 6.239960 -1.317741\n-0.010880 -0.017258 11.624333\nNd W O\n4 6 24\ndirect\n0.694603 0.946797 0.404891 Nd\n0.053203 0.305397 0.095109 Nd\n0.305396 0.053203 0.595109 Nd\n0.946797 0.694603 0.904891 Nd\n0.118110 0.881890 0.250000 W\n0.489753 0.201682 0.951931 W\n0.510247 0.798318 0.048069 W\n0.201682 0.489753 0.451931 W\n0.798317 0.510247 0.548069 W\n0.881890 0.118110 0.750000 W\n0.227464 0.628478 0.039163 O\n0.793545 0.651203 0.693748 O\n0.348797 0.206455 0.806251 O\n0.012141 0.598379 0.221079 O\n0.401621 0.987858 0.278921 O\n0.987858 0.401621 0.778921 O\n0.598379 0.012141 0.721079 O\n0.901768 0.327301 0.423867 O\n0.628478 0.227464 0.539163 O\n0.026753 0.945278 0.110240 O\n0.054722 0.973246 0.389760 O\n0.973246 0.054722 0.889760 O\n0.945277 0.026753 0.610240 O\n0.651203 0.793545 0.193748 O\n0.206455 0.348797 0.306252 O\n0.601038 0.672445 0.938241 O\n0.327555 0.398962 0.561759 O\n0.398962 0.327555 0.061759 O\n0.672445 0.601038 0.438241 O\n0.327301 0.901768 0.923867 O\n0.098231 0.672699 0.576132 O\n0.672699 0.098231 0.076133 O\n0.772535 0.371522 0.960837 O\n0.371522 0.772536 0.460837 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Nd",
"W",
"O"
],
"chemical_system": "Nd-O-W",
"density": 6.836459941925189,
"density_atomic": 0.06781921314467655,
"volume": 501.33285869107465,
"volume_molar": 8.879697184267178,
"formula_full": "Nd4 W6 O24",
"formula_reduced": "Nd2(WO4)3",
"formula_anonymous": "A2B3C12",
"energy_above_hull": 3.957973823529412,
"spacegroup": 15
},
{
"id": "jvasp-28576",
"created_at": "2022-09-04T14:37:04.700929Z",
"updated_at": "2022-09-04T14:37:04.700962Z",
"structure_string": "Te4 W3 Se2\n1.0\n3.484344 0.000000 0.000000\n-1.742172 3.017652 0.000000\n0.000000 0.000000 21.592010\nTe W Se\n4 3 2\ndirect\n0.666742 0.333484 -0.056116 Te\n0.666713 0.333427 0.578558 Te\n0.666713 0.333427 0.115407 Te\n0.666742 0.333484 0.750080 Te\n0.333402 0.666803 0.029638 W\n0.333402 0.666803 0.664327 W\n0.666519 0.333039 0.346982 W\n0.333183 0.666365 0.422445 Se\n0.333183 0.666365 0.271520 Se\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Te",
"W",
"Se"
],
"chemical_system": "Se-Te-W",
"density": 8.922133454948812,
"density_atomic": 0.0396423376896949,
"volume": 227.0300018744749,
"volume_molar": 15.191184755901684,
"formula_full": "Te4 W3 Se2",
"formula_reduced": "Te4W3Se2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.9578808666666663,
"spacegroup": 187
},
{
"id": "jvasp-30624",
"created_at": "2022-09-04T14:37:09.638624Z",
"updated_at": "2022-09-04T14:37:09.638637Z",
"structure_string": "Zn1 Mo6 O16\n1.0\n5.953089 0.000000 0.000000\n-2.976544 5.155526 -0.000000\n0.000000 -0.000000 9.320646\nZn Mo O\n1 6 16\ndirect\n0.666667 0.333333 0.282068 Zn\n0.174899 0.349798 0.068917 Mo\n0.341366 0.170683 0.583144 Mo\n0.174899 0.825102 0.068917 Mo\n0.829318 0.170683 0.583144 Mo\n0.829318 0.658635 0.583144 Mo\n0.650204 0.825102 0.068917 Mo\n0.157894 0.842106 0.678909 O\n0.157894 0.315789 0.678909 O\n0.684214 0.842106 0.678909 O\n0.839230 0.160771 0.176606 O\n0.483378 0.966755 0.950746 O\n0.521767 0.478234 0.456321 O\n0.956468 0.478234 0.456321 O\n0.521767 0.043531 0.456321 O\n0.483377 0.516625 0.950746 O\n0.321540 0.160771 0.176606 O\n0.333334 0.666666 0.197911 O\n0.666667 0.333333 0.703994 O\n0.000000 0.000000 0.965228 O\n0.000000 0.000000 0.468814 O\n0.033246 0.516625 0.950746 O\n0.839229 0.678460 0.176606 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Zn",
"Mo",
"O"
],
"chemical_system": "Mo-O-Zn",
"density": 5.207139895470009,
"density_atomic": 0.08040192845737679,
"volume": 286.0627902997739,
"volume_molar": 7.490045171233048,
"formula_full": "Zn1 Mo6 O16",
"formula_reduced": "Zn(Mo3O8)2",
"formula_anonymous": "AB6C16",
"energy_above_hull": 3.957829208695652,
"spacegroup": 156
},
{
"id": "jvasp-35113",
"created_at": "2022-09-04T14:37:39.378747Z",
"updated_at": "2022-09-04T14:37:39.378767Z",
"structure_string": "Ba3 P6 N8 O6\n1.0\n3.724564 -6.451133 0.000000\n3.724564 6.451134 -0.000000\n0.000000 -0.000000 6.369293\nBa P N O\n3 6 8 6\ndirect\n0.333333 0.666666 0.614915 Ba\n0.666666 0.333333 0.385084 Ba\n0.000000 0.000000 0.500000 Ba\n0.224112 0.824128 0.102873 P\n0.600015 0.775887 0.102873 P\n0.175871 0.399984 0.102873 P\n0.775887 0.175871 0.897126 P\n0.399983 0.224112 0.897126 P\n0.824128 0.600015 0.897126 P\n0.977242 0.671988 0.098188 N\n0.328011 0.305253 0.098188 N\n0.694746 0.022757 0.098188 N\n0.022757 0.328011 0.901812 N\n0.305253 0.977242 0.901812 N\n0.666666 0.333333 0.927379 N\n0.333333 0.666666 0.072620 N\n0.671988 0.694746 0.901812 N\n0.368109 0.291974 0.678556 O\n0.291973 0.923864 0.321443 O\n0.631890 0.708025 0.321443 O\n0.076135 0.368110 0.321443 O\n0.708026 0.076135 0.678556 O\n0.923864 0.631889 0.678556 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ba",
"P",
"N",
"O"
],
"chemical_system": "Ba-N-O-P",
"density": 4.372031850658158,
"density_atomic": 0.0751441440844527,
"volume": 306.0784081079006,
"volume_molar": 8.014118509663055,
"formula_full": "Ba3 P6 N8 O6",
"formula_reduced": "Ba3P6(N4O3)2",
"formula_anonymous": "A3B6C6D8",
"energy_above_hull": 3.9573603439130434,
"spacegroup": 147
},
{
"id": "jvasp-101903",
"created_at": "2022-09-04T14:36:42.267238Z",
"updated_at": "2022-09-04T14:36:42.267266Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.454606 -0.070306 -0.467428\n-1.372677 4.253262 0.573060\n-0.258148 0.046116 7.590546\nZn H C O\n1 4 4 4\ndirect\n0.611696 0.160263 0.268297 Zn\n0.509651 0.864682 0.689630 H\n0.105605 -0.000945 0.694459 H\n0.118470 0.321381 0.842178 H\n0.714363 0.455696 0.846970 H\n0.987041 0.665702 0.506188 C\n0.175638 0.781295 0.688940 C\n0.048379 0.539125 0.847677 C\n0.236866 0.654742 0.030429 C\n0.026075 0.871983 0.369000 O\n0.800290 0.371572 0.497171 O\n0.197714 0.448473 0.167628 O\n0.423598 0.948874 0.039443 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.733803562574972,
"density_atomic": 0.11793155185153614,
"volume": 110.2334345295963,
"volume_molar": 5.106471224580564,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.957131107692308,
"spacegroup": 2
}
]
}