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=-formula_anonymous&page=159",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=157",
"results": [
{
"id": "jvasp-112001",
"created_at": "2022-09-04T14:38:42.110074Z",
"updated_at": "2022-09-04T14:38:42.110092Z",
"structure_string": "H6 C9 S1 O1\n1.0\n3.962187 -0.000666 0.738208\n1.130136 6.048358 0.859961\n0.153045 -0.027150 7.251075\nH C S O\n6 9 1 1\ndirect\n0.755208 0.368940 0.474383 H\n0.684447 0.149997 0.059631 H\n0.957876 0.921626 0.952495 H\n0.302988 0.581463 0.421852 H\n0.940319 0.691928 0.723448 H\n0.158856 0.264477 0.182047 H\n0.106127 0.136888 0.298123 C\n0.877393 0.196544 0.461666 C\n0.483925 0.845486 0.103431 C\n0.583232 0.110233 0.792895 C\n0.187567 0.754790 0.434594 C\n0.816238 0.038185 0.616393 C\n0.981153 0.816954 0.603252 C\n0.689911 0.008646 0.982437 C\n0.258864 0.913327 0.280122 C\n0.521682 0.597601 0.037078 S\n0.326862 0.255775 0.788478 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.555499602308767,
"density_atomic": 0.0981740140660451,
"volume": 173.1619121589905,
"volume_molar": 6.1341494664246845,
"formula_full": "H6 C9 S1 O1",
"formula_reduced": "H6C9SO",
"formula_anonymous": "ABC6D9",
"energy_above_hull": 5.454547264705881,
"spacegroup": 1
},
{
"id": "jvasp-101809",
"created_at": "2022-09-04T14:36:47.796581Z",
"updated_at": "2022-09-04T14:36:47.796604Z",
"structure_string": "H12 C16 S2 O2\n1.0\n5.198707 -0.043443 0.359426\n2.428865 5.586964 -0.149107\n-0.048824 -0.321552 11.740754\nH C S O\n12 16 2 2\ndirect\n0.231903 0.277467 0.026423 H\n0.594896 0.617270 0.676460 H\n0.094886 0.617257 0.176458 H\n0.839603 0.510879 0.866301 H\n0.206358 0.845423 0.517764 H\n0.706346 0.845423 0.017770 H\n0.339608 0.510875 0.366298 H\n0.392116 0.139628 0.843832 H\n0.955116 0.343580 0.259942 H\n0.455124 0.343583 0.759940 H\n0.731905 0.277477 0.526426 H\n0.892114 0.139628 0.343838 H\n0.892182 0.747209 0.603733 C\n0.767258 0.583756 0.611194 C\n0.267249 0.583748 0.111194 C\n0.843199 0.396402 0.526026 C\n0.343194 0.396394 0.026025 C\n0.042906 0.224283 0.327841 C\n0.542909 0.224284 0.827839 C\n0.392170 0.747202 0.103735 C\n0.181939 0.527807 0.435836 C\n0.539823 0.373943 0.934307 C\n0.108182 0.716950 0.520539 C\n0.608172 0.716949 0.020543 C\n0.681933 0.527807 0.935838 C\n0.303987 0.022601 0.274954 C\n0.803993 0.022603 0.774953 C\n0.039826 0.373945 0.434306 C\n0.590749 0.878840 0.334339 S\n0.090746 0.878836 0.834342 S\n0.249768 0.968941 0.168181 O\n0.749786 0.968950 0.668178 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.4593146845187301,
"density_atomic": 0.0936174330978175,
"volume": 341.81667816681477,
"volume_molar": 6.432712968863054,
"formula_full": "H12 C16 S2 O2",
"formula_reduced": "H6C8SO",
"formula_anonymous": "ABC6D8",
"energy_above_hull": 5.30128584375,
"spacegroup": 1
},
{
"id": "jvasp-117349",
"created_at": "2022-09-04T14:38:26.340519Z",
"updated_at": "2022-09-04T14:38:26.340535Z",
"structure_string": "Na1 Er1 Pd6 O8\n1.0\n5.787376 -0.000000 0.000000\n0.000000 5.787376 0.000000\n-0.000000 0.000000 5.787376\nNa Er Pd O\n1 1 6 8\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Er\n0.250511 0.000000 0.500000 Pd\n0.749490 0.000000 0.500000 Pd\n0.500000 0.250511 -0.000000 Pd\n0.500000 0.749490 -0.000000 Pd\n-0.000000 0.500000 0.250511 Pd\n-0.000000 0.500000 0.749490 Pd\n0.239190 0.239190 0.239190 O\n0.760810 0.760810 0.760810 O\n0.760810 0.760810 0.239190 O\n0.760810 0.239190 0.760810 O\n0.239190 0.239190 0.760810 O\n0.239190 0.760810 0.239190 O\n0.239190 0.760810 0.760810 O\n0.760810 0.239190 0.239190 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"Er",
"Pd",
"O"
],
"chemical_system": "Er-Na-O-Pd",
"density": 8.196129514730218,
"density_atomic": 0.08254198063766456,
"volume": 193.8407568657139,
"volume_molar": 7.2958520179391595,
"formula_full": "Na1 Er1 Pd6 O8",
"formula_reduced": "NaEr(Pd3O4)2",
"formula_anonymous": "ABC6D8",
"energy_above_hull": 2.2533057,
"spacegroup": 200
},
{
"id": "jvasp-25626",
"created_at": "2022-09-04T14:37:48.605375Z",
"updated_at": "2022-09-04T14:37:48.605407Z",
"structure_string": "Ba1 Si6 N8 O1\n1.0\n4.553892 -0.000000 1.744923\n1.871893 6.278793 1.929564\n-0.005854 0.012309 6.830101\nBa Si N O\n1 6 8 1\ndirect\n0.495713 0.500000 0.499999 Ba\n0.180036 0.644561 0.037605 Si\n0.686059 0.838905 0.838904 Si\n0.180037 0.037606 0.644561 Si\n0.363869 0.161095 0.161095 Si\n0.862204 0.962394 0.355438 Si\n0.862204 0.355439 0.962394 Si\n0.051388 0.726099 0.273900 N\n0.904317 0.953294 0.602890 N\n0.051388 0.273901 0.726099 N\n0.987888 0.187187 0.187187 N\n0.904317 0.602891 0.953293 N\n0.362262 0.812812 0.812812 N\n0.460502 0.397109 0.046706 N\n0.460502 0.046706 0.397109 N\n0.610815 0.000000 -0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ba",
"Si",
"N",
"O"
],
"chemical_system": "Ba-N-O-Si",
"density": 3.689387006130044,
"density_atomic": 0.08192990576647487,
"volume": 195.28888566776658,
"volume_molar": 7.350357239717731,
"formula_full": "Ba1 Si6 N8 O1",
"formula_reduced": "BaSi6N8O",
"formula_anonymous": "ABC6D8",
"energy_above_hull": 4.760304816874999,
"spacegroup": 44
},
{
"id": "jvasp-21379",
"created_at": "2022-09-04T14:38:31.698058Z",
"updated_at": "2022-09-04T14:38:31.698087Z",
"structure_string": "Na1 Lu1 Pd6 O8\n1.0\n5.776502 -0.000000 0.000000\n0.000000 5.776502 -0.000000\n0.000000 -0.000000 5.776502\nNa Lu Pd O\n1 1 6 8\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Lu\n0.750333 0.500000 0.000000 Pd\n0.500000 0.000000 0.750333 Pd\n0.000000 0.750333 0.500000 Pd\n0.500000 0.000000 0.249666 Pd\n0.000000 0.249666 0.500000 Pd\n0.249666 0.500000 0.000000 Pd\n0.236855 0.763144 0.236855 O\n0.763144 0.236855 0.236855 O\n0.236855 0.236855 0.763144 O\n0.763144 0.763144 0.763144 O\n0.763144 0.236855 0.763144 O\n0.236855 0.763144 0.763144 O\n0.763144 0.763144 0.236855 O\n0.236855 0.236855 0.236855 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"Lu",
"Pd",
"O"
],
"chemical_system": "Lu-Na-O-Pd",
"density": 8.3089074869299,
"density_atomic": 0.08300900315890883,
"volume": 192.7501763799078,
"volume_molar": 7.254804335466451,
"formula_full": "Na1 Lu1 Pd6 O8",
"formula_reduced": "NaLu(Pd3O4)2",
"formula_anonymous": "ABC6D8",
"energy_above_hull": 2.251813559375,
"spacegroup": 200
},
{
"id": "jvasp-96802",
"created_at": "2022-09-04T14:35:54.805688Z",
"updated_at": "2022-09-04T14:35:54.805711Z",
"structure_string": "Cu12 Ge2 W2 S16\n1.0\n7.557855 0.000000 0.000000\n-3.778928 6.545295 -0.000000\n-0.000000 0.000000 12.438611\nCu Ge W S\n12 2 2 16\ndirect\n0.839231 0.678461 0.105590 Cu\n0.504023 0.495977 0.353199 Cu\n0.008046 0.504023 0.853199 Cu\n0.839231 0.160769 0.105590 Cu\n0.495977 0.504023 0.853199 Cu\n0.160769 0.321538 0.605590 Cu\n0.504023 0.008046 0.353199 Cu\n0.991954 0.495977 0.353199 Cu\n0.160769 0.839230 0.605590 Cu\n0.495977 0.991953 0.853199 Cu\n0.678462 0.839230 0.605590 Cu\n0.321538 0.160769 0.105590 Cu\n0.000000 0.000000 0.852198 Ge\n0.000000 0.000000 0.352198 Ge\n0.666667 0.333333 0.981151 W\n0.333333 0.666667 0.481151 W\n0.502561 0.005121 0.041273 S\n0.670384 0.835191 0.789848 S\n0.164808 0.835191 0.789848 S\n0.497439 0.994879 0.541273 S\n0.994880 0.497439 0.041273 S\n0.333333 0.666667 0.298378 S\n0.000000 0.000000 0.534541 S\n0.497440 0.502560 0.541273 S\n0.666667 0.333333 0.798378 S\n0.835192 0.670383 0.289848 S\n0.005120 0.502560 0.541273 S\n0.835192 0.164808 0.289848 S\n0.329616 0.164808 0.289848 S\n0.000000 0.000000 0.034541 S\n0.164808 0.329616 0.789848 S\n0.502560 0.497439 0.041273 S\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Cu",
"Ge",
"W",
"S"
],
"chemical_system": "Cu-Ge-S-W",
"density": 4.826707729107363,
"density_atomic": 0.052005623967740534,
"volume": 615.3180667508159,
"volume_molar": 11.579787531701527,
"formula_full": "Cu12 Ge2 W2 S16",
"formula_reduced": "Cu6GeWS8",
"formula_anonymous": "ABC6D8",
"energy_above_hull": 1.636307415625,
"spacegroup": 186
},
{
"id": "jvasp-111736",
"created_at": "2022-09-04T14:38:41.886252Z",
"updated_at": "2022-09-04T14:38:41.886283Z",
"structure_string": "Na1 Yb1 Pd6 O8\n1.0\n5.740065 0.000000 -0.000000\n0.000000 5.740065 0.000000\n-0.000000 0.000000 5.740065\nYb Na Pd O\n1 1 6 8\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Na\n0.250771 0.000000 0.500000 Pd\n0.749228 0.000000 0.500000 Pd\n0.500000 0.250771 0.000000 Pd\n0.500000 0.749228 0.000000 Pd\n0.000000 0.500000 0.250771 Pd\n0.000000 0.500000 0.749228 Pd\n0.243914 0.243914 0.243914 O\n0.756085 0.756085 0.756085 O\n0.756085 0.756085 0.243914 O\n0.756085 0.243914 0.756085 O\n0.243914 0.243914 0.756085 O\n0.243914 0.756085 0.243914 O\n0.243914 0.756085 0.756085 O\n0.756085 0.243914 0.243914 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Yb",
"Na",
"Pd",
"O"
],
"chemical_system": "Na-O-Pd-Yb",
"density": 8.451225598047975,
"density_atomic": 0.08459984194046424,
"volume": 189.12564885475481,
"volume_molar": 7.118382992060414,
"formula_full": "Na1 Yb1 Pd6 O8",
"formula_reduced": "NaYb(Pd3O4)2",
"formula_anonymous": "ABC6D8",
"energy_above_hull": 2.09011511875,
"spacegroup": 200
},
{
"id": "jvasp-111773",
"created_at": "2022-09-04T14:38:41.805982Z",
"updated_at": "2022-09-04T14:38:41.806008Z",
"structure_string": "Ta1 Tl6 V1 S8\n1.0\n7.654591 0.000000 0.000000\n0.000000 7.654591 -0.000000\n0.000000 -0.000000 7.654591\nTa Tl V S\n1 6 1 8\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.000000 Tl\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 V\n0.336120 0.336120 0.663879 S\n0.827282 0.827282 0.172718 S\n0.336120 0.663879 0.336120 S\n0.827282 0.172718 0.827282 S\n0.172718 0.827282 0.827282 S\n0.663879 0.336120 0.336120 S\n0.663879 0.663879 0.663879 S\n0.172718 0.172718 0.172718 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ta",
"Tl",
"V",
"S"
],
"chemical_system": "S-Ta-Tl-V",
"density": 6.348536181879834,
"density_atomic": 0.03567418099010391,
"volume": 448.5036392128647,
"volume_molar": 16.880950291950793,
"formula_full": "Ta1 Tl6 V1 S8",
"formula_reduced": "TaTl6VS8",
"formula_anonymous": "ABC6D8",
"energy_above_hull": 1.6998261875,
"spacegroup": 215
},
{
"id": "jvasp-85469",
"created_at": "2022-09-04T14:36:01.116079Z",
"updated_at": "2022-09-04T14:36:01.116105Z",
"structure_string": "In1 Cu6 Cl1 O8\n1.0\n5.631977 -0.000086 3.251426\n1.877254 5.309842 3.251404\n-0.000144 -0.000126 6.503101\nIn Cu Cl O\n1 6 1 8\ndirect\n0.500000 0.500000 0.499999 In\n0.500000 0.000000 0.499999 Cu\n0.500001 0.500000 1.000000 Cu\n0.000000 0.499999 0.500000 Cu\n1.000000 0.499999 0.000002 Cu\n0.000001 0.999999 0.499999 Cu\n0.500001 -0.000002 0.000001 Cu\n0.999999 -0.000001 0.000001 Cl\n0.642804 0.071593 0.642804 O\n0.071588 0.642805 0.642807 O\n0.642807 0.642803 0.071589 O\n0.928413 0.357193 0.357193 O\n0.642796 0.642797 0.642799 O\n0.357205 0.357201 0.357202 O\n0.357196 0.928406 0.357197 O\n0.357195 0.357195 0.928411 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"In",
"Cu",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-In-O",
"density": 5.631413070629894,
"density_atomic": 0.08227079256067427,
"volume": 194.4797114747629,
"volume_molar": 7.319901234157559,
"formula_full": "In1 Cu6 Cl1 O8",
"formula_reduced": "InCu6ClO8",
"formula_anonymous": "ABC6D8",
"energy_above_hull": 1.2178859210937498,
"spacegroup": 225
},
{
"id": "jvasp-104152",
"created_at": "2022-09-04T14:36:49.541779Z",
"updated_at": "2022-09-04T14:36:49.541807Z",
"structure_string": "H6 C7 S1 O1\n1.0\n4.428766 -0.082746 0.081592\n1.347097 4.913999 2.434511\n-0.156258 0.067352 6.757077\nH C S O\n6 7 1 1\ndirect\n0.581110 0.342690 0.367836 H\n0.905049 0.315551 0.977420 H\n0.952510 0.244025 0.641892 H\n0.400787 0.972164 0.981804 H\n0.915674 0.538383 0.098888 H\n0.426546 0.209868 0.206576 H\n0.342916 0.900515 0.864418 C\n0.103820 0.043074 0.684630 C\n0.505837 0.651733 0.879028 C\n0.082811 0.902292 0.562202 C\n0.764835 0.439298 0.049327 C\n0.876532 0.971615 0.367725 C\n0.639790 0.246816 0.257600 C\n0.364091 0.592709 0.671483 S\n0.898175 0.811558 0.283663 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.5590497702326076,
"density_atomic": 0.10191430360312266,
"volume": 147.18248047313742,
"volume_molar": 5.9090240987679,
"formula_full": "H6 C7 S1 O1",
"formula_reduced": "H6C7SO",
"formula_anonymous": "ABC6D7",
"energy_above_hull": 5.125414233333333,
"spacegroup": 1
},
{
"id": "jvasp-97861",
"created_at": "2022-09-04T14:38:17.803099Z",
"updated_at": "2022-09-04T14:38:17.803127Z",
"structure_string": "Sb4 S28 I4 F24\n1.0\n8.829914 0.000000 0.000000\n0.000000 11.580440 0.000000\n0.000000 0.000000 12.542172\nSb S I F\n4 28 4 24\ndirect\n0.065558 0.591281 0.358617 Sb\n0.565558 0.408719 0.141383 Sb\n0.434442 0.091281 0.641383 Sb\n0.934441 0.908719 0.858617 Sb\n0.903064 0.132278 0.536710 S\n0.968639 0.249780 0.281665 S\n0.443330 0.058021 0.997226 S\n0.846126 0.919091 0.363611 S\n0.346126 0.080909 0.136389 S\n0.521720 0.035299 0.253894 S\n0.031361 0.250220 0.781665 S\n0.445349 0.892950 0.326946 S\n0.556669 0.441979 0.497226 S\n0.943330 0.941979 0.502774 S\n0.056670 0.558021 0.002774 S\n0.554651 0.607050 0.826946 S\n0.153874 0.580909 0.863611 S\n0.478279 0.464701 0.753894 S\n0.781009 0.191016 0.423810 S\n0.653874 0.419091 0.636389 S\n0.218991 0.308984 0.923810 S\n0.054651 0.392950 0.673054 S\n0.021720 0.964701 0.246106 S\n0.596936 0.632278 0.463290 S\n0.978279 0.535299 0.746106 S\n0.096936 0.367722 0.036710 S\n0.281009 0.808984 0.076190 S\n0.718991 0.691016 0.576190 S\n0.468639 0.750220 0.218335 S\n0.403064 0.867722 0.963290 S\n0.945349 0.107050 0.173054 S\n0.531361 0.749780 0.718335 S\n0.692240 0.780786 0.117894 I\n0.807759 0.280786 0.882106 I\n0.307759 0.719214 0.617894 I\n0.192240 0.219214 0.382106 I\n0.126239 0.851631 0.812263 F\n0.467561 0.534269 0.068234 F\n0.967560 0.465731 0.431766 F\n0.626239 0.148369 0.687736 F\n0.448027 0.182124 0.510901 F\n0.032439 0.034269 0.931766 F\n0.416013 0.001521 0.769000 F\n0.373761 0.351631 0.187736 F\n0.661714 0.277605 0.209137 F\n0.551973 0.317876 0.010901 F\n0.083987 0.501521 0.231000 F\n0.583987 0.498479 0.269000 F\n0.739620 0.961855 0.905049 F\n0.760380 0.461855 0.094951 F\n0.532439 0.965731 0.568234 F\n0.239620 0.038145 0.594951 F\n0.873760 0.648369 0.312264 F\n0.838286 0.777605 0.790863 F\n0.051973 0.682124 0.489099 F\n0.161714 0.722395 0.290863 F\n0.338286 0.222395 0.709137 F\n0.260380 0.538145 0.405049 F\n0.948027 0.817876 0.989099 F\n0.916013 -0.001521 0.731000 F\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Sb",
"S",
"I",
"F"
],
"chemical_system": "F-I-S-Sb",
"density": 3.040704365641981,
"density_atomic": 0.04678395827411979,
"volume": 1282.4908839146074,
"volume_molar": 12.872234377250974,
"formula_full": "Sb4 S28 I4 F24",
"formula_reduced": "SbS7IF6",
"formula_anonymous": "ABC6D7",
"energy_above_hull": 1.0564976046666668,
"spacegroup": 19
},
{
"id": "jvasp-104169",
"created_at": "2022-09-04T14:36:58.066733Z",
"updated_at": "2022-09-04T14:36:58.066759Z",
"structure_string": "H14 C12 S2 N2\n1.0\n3.797581 0.055108 -0.599305\n-1.309218 7.979330 -3.002633\n0.083415 0.236938 9.585003\nH C S N\n14 12 2 2\ndirect\n0.831017 0.178917 0.083984 H\n0.437250 0.983894 0.704749 H\n0.937249 0.483894 0.204749 H\n0.792279 0.819658 0.481973 H\n0.292280 0.319658 0.981973 H\n0.410452 0.190228 0.133487 H\n0.672960 0.414478 0.498864 H\n0.910451 0.690228 0.633488 H\n0.851553 0.239870 0.672428 H\n0.351552 0.739870 0.172429 H\n0.217818 0.833861 0.438376 H\n0.717819 0.333861 0.938375 H\n0.331015 0.678917 0.583983 H\n0.172958 0.914478 -0.001136 H\n0.984020 0.055933 0.478810 C\n0.047310 0.903057 0.514725 C\n0.547310 0.403056 0.014726 C\n0.188642 0.750752 0.671739 C\n0.688643 0.250752 0.171739 C\n0.484019 0.555933 0.978810 C\n0.283398 0.799017 0.961495 C\n0.325014 0.724738 0.815663 C\n0.873712 0.202715 0.554561 C\n0.373710 0.702714 0.054560 C\n0.783398 0.299018 0.461495 C\n0.825015 0.224738 0.315663 C\n0.483276 0.538233 0.794287 S\n0.983276 0.038234 0.294287 S\n0.683845 0.421022 0.171515 N\n0.183845 0.921022 0.671515 N\n",
"nsites": 30,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.4122141834115012,
"density_atomic": 0.10189853892666867,
"volume": 294.41050201504373,
"volume_molar": 5.909938281189523,
"formula_full": "H14 C12 S2 N2",
"formula_reduced": "H7C6SN",
"formula_anonymous": "ABC6D7",
"energy_above_hull": 5.075772883333334,
"spacegroup": 1
}
]
}