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{
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"results": [
{
"id": "jvasp-47661",
"created_at": "2022-09-04T14:37:18.919380Z",
"updated_at": "2022-09-04T14:37:18.919406Z",
"structure_string": "Li4 Co4 Sn4 O16\n1.0\n6.047705 0.000000 0.000000\n0.000000 6.047705 -0.000000\n-0.000000 0.000000 8.540879\nLi Co Sn O\n4 4 4 16\ndirect\n0.000000 0.203021 0.000000 Li\n0.000000 0.796980 0.500000 Li\n0.203021 0.000000 0.250000 Li\n0.796980 0.000000 0.750000 Li\n0.253637 0.253637 0.625000 Co\n0.253637 0.746364 0.875000 Co\n0.746364 0.253637 0.375000 Co\n0.746364 0.746364 0.125000 Co\n0.776527 0.500000 0.750000 Sn\n0.500000 0.776527 0.500000 Sn\n0.500000 0.223474 0.000000 Sn\n0.223474 0.500000 0.250000 Sn\n0.747806 0.006769 0.502381 O\n0.747806 0.993232 -0.002381 O\n0.743004 0.482077 0.994722 O\n0.743004 0.517923 0.505278 O\n0.517923 0.743004 0.744722 O\n0.517923 0.256997 0.755278 O\n0.482077 0.743004 0.255278 O\n0.993232 0.747806 0.252381 O\n0.256997 0.517923 0.494722 O\n0.256997 0.482077 0.005278 O\n0.252195 0.006769 0.497619 O\n0.252195 0.993232 0.002381 O\n0.006769 0.252195 0.752381 O\n0.993232 0.252195 0.247619 O\n0.482077 0.256997 0.244722 O\n0.006769 0.747806 0.747619 O\n",
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],
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"volume": 312.3803926431327,
"volume_molar": 6.718566768432193,
"formula_full": "Li4 Co4 Sn4 O16",
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{
"id": "jvasp-45016",
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"updated_at": "2022-09-04T14:35:50.829176Z",
"structure_string": "Li2 Fe2 Sn2 O8\n1.0\n6.291579 0.000000 0.000000\n3.145788 5.144226 0.128103\n3.145788 1.835518 4.807321\nLi Fe Sn O\n2 2 2 8\ndirect\n0.126481 0.123520 0.123519 Li\n0.873520 0.876482 0.876480 Li\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500001 -0.000000 Fe\n0.000000 0.500001 0.500000 Sn\n0.500000 0.500001 0.500000 Sn\n0.280086 0.256516 0.256515 O\n0.268737 0.238830 0.723696 O\n0.268737 0.723697 0.238829 O\n0.706885 0.256516 0.256515 O\n0.293115 0.743486 0.743484 O\n0.731264 0.761172 0.276303 O\n0.731264 0.276304 0.761170 O\n0.719914 0.743486 0.743484 O\n",
"nsites": 14,
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"density_atomic": 0.09084359256421401,
"volume": 154.11103419433695,
"volume_molar": 6.629131004196216,
"formula_full": "Li2 Fe2 Sn2 O8",
"formula_reduced": "LiFeSnO4",
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"spacegroup": 74
},
{
"id": "jvasp-43052",
"created_at": "2022-09-04T14:38:05.554826Z",
"updated_at": "2022-09-04T14:38:05.554851Z",
"structure_string": "Li2 Fe2 P2 O8\n1.0\n4.939422 -0.171251 0.017274\n-1.049742 -5.030730 -0.128996\n-1.719636 0.161524 -5.674280\nLi Fe P O\n2 2 2 8\ndirect\n0.725411 0.688619 0.039841 Li\n0.274590 0.311381 -0.039840 Li\n0.012151 0.790319 0.623128 Fe\n-0.012152 0.209682 0.376873 Fe\n0.345815 0.808092 0.228402 P\n0.654184 0.191909 0.771599 P\n0.206347 0.631225 0.398868 O\n0.317107 0.147955 0.684183 O\n0.728638 0.326501 0.014956 O\n0.239555 0.076259 0.202212 O\n0.760445 0.923742 0.797789 O\n0.271363 0.673499 -0.014955 O\n0.682893 0.852045 0.315818 O\n0.793653 0.368776 0.601133 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Fe-Li-O-P",
"density": 3.6913710008095473,
"density_atomic": 0.0986386235360449,
"volume": 141.93223200123091,
"volume_molar": 6.105256282088493,
"formula_full": "Li2 Fe2 P2 O8",
"formula_reduced": "LiFePO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 2
},
{
"id": "jvasp-44523",
"created_at": "2022-09-04T14:38:05.467393Z",
"updated_at": "2022-09-04T14:38:05.467430Z",
"structure_string": "Li2 Cr2 Sn2 O8\n1.0\n6.283683 0.000000 0.000000\n3.141841 5.228053 0.041495\n3.141841 1.781805 4.915224\nLi Cr Sn O\n2 2 2 8\ndirect\n0.124707 0.125292 0.125293 Li\n0.875292 0.874706 0.874708 Li\n0.500000 -0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.499999 0.500000 Sn\n0.500000 0.499999 0.500000 Sn\n0.275482 0.258316 0.258316 O\n0.263560 0.250751 0.722130 O\n0.263560 0.722129 0.250752 O\n0.707884 0.258316 0.258316 O\n0.292116 0.741683 0.741684 O\n0.736440 0.749247 0.277870 O\n0.736440 0.277869 0.749248 O\n0.724518 0.741683 0.741684 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.9843687457731765,
"density_atomic": 0.08695245183533787,
"volume": 161.00753577957576,
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"formula_full": "Li2 Cr2 Sn2 O8",
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"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-101692",
"created_at": "2022-09-04T14:36:34.537668Z",
"updated_at": "2022-09-04T14:36:34.537691Z",
"structure_string": "Sr1 La1 Mn1 O4\n1.0\n3.715569 -0.000000 1.075185\n-0.311130 3.702520 1.075185\n0.022149 0.024088 6.881084\nSr La Mn O\n1 1 1 4\ndirect\n0.358469 0.358469 0.283062 Sr\n0.641632 0.641633 0.716736 La\n0.996963 0.996963 0.006076 Mn\n0.504676 0.004676 0.990648 O\n0.004675 0.504676 0.990648 O\n0.165254 0.165254 0.669491 O\n0.828331 0.828331 0.343339 O\n",
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"density_atomic": 0.07409728687809461,
"volume": 94.47039554250415,
"volume_molar": 8.12734313728338,
"formula_full": "Sr1 La1 Mn1 O4",
"formula_reduced": "SrLaMnO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.056813221625616,
"spacegroup": 107
},
{
"id": "jvasp-45855",
"created_at": "2022-09-04T14:38:05.409011Z",
"updated_at": "2022-09-04T14:38:05.409031Z",
"structure_string": "Li2 Co2 Cu2 O8\n1.0\n5.563998 -0.010469 -0.010653\n2.725939 5.170304 0.335891\n2.732733 2.066140 4.922343\nLi Co Cu O\n2 2 2 8\ndirect\n0.500001 0.499999 0.000000 Li\n0.500000 0.500000 0.500000 Li\n-0.000000 0.000000 0.500000 Co\n0.500000 -0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.264806 0.209242 0.713170 O\n0.748463 0.775213 0.722250 O\n0.274714 0.753757 0.703697 O\n0.188906 0.788131 0.284423 O\n0.811095 0.211868 0.715577 O\n0.725286 0.246242 0.296303 O\n0.251537 0.224786 0.277749 O\n0.735195 0.790757 0.286830 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Co-Cu-Li-O",
"density": 4.655972767013837,
"density_atomic": 0.10147590800092392,
"volume": 137.96378151031212,
"volume_molar": 5.934552228835607,
"formula_full": "Li2 Co2 Cu2 O8",
"formula_reduced": "LiCoCuO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.9887807642857147,
"spacegroup": 2
},
{
"id": "jvasp-29780",
"created_at": "2022-09-04T14:38:05.660127Z",
"updated_at": "2022-09-04T14:38:05.660149Z",
"structure_string": "Cd1 In1 Ga1 S4\n1.0\n4.028362 -0.000000 0.000000\n-2.014181 3.488663 -0.000000\n0.000000 0.000000 12.608231\nCd In Ga S\n1 1 1 4\ndirect\n0.000000 0.000000 0.543468 Cd\n0.333333 0.666666 0.830229 In\n0.333333 0.666666 0.261077 Ga\n0.000000 0.000000 0.343172 S\n0.666667 0.333333 0.905393 S\n0.333333 0.666666 0.626809 S\n0.333333 0.666666 0.094852 S\n",
"nsites": 7,
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"elements": [
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"In",
"Ga",
"S"
],
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"density": 3.984858852920524,
"density_atomic": 0.03950539178226099,
"volume": 177.19100315676891,
"volume_molar": 15.24384517736667,
"formula_full": "Cd1 In1 Ga1 S4",
"formula_reduced": "CdInGaS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.7175374349999999,
"spacegroup": 156
},
{
"id": "jvasp-45847",
"created_at": "2022-09-04T14:38:05.354907Z",
"updated_at": "2022-09-04T14:38:05.354926Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n0.000000 6.281401 -0.003417\n5.015877 0.000000 0.000000\n0.000000 -0.005817 -10.673193\nLi Fe Si O\n4 4 4 16\ndirect\n0.288916 0.404462 0.334683 Li\n0.288916 0.595538 0.834683 Li\n0.788917 0.904461 0.169783 Li\n0.788917 0.095539 0.669783 Li\n0.039114 0.407790 0.083455 Fe\n0.039114 0.592210 0.583455 Fe\n0.539109 0.907794 0.421005 Fe\n0.539109 0.092207 0.921005 Fe\n0.292275 0.096948 0.667885 Si\n0.292275 0.903053 0.167885 Si\n0.792273 0.596947 0.836578 Si\n0.792274 0.403053 0.336578 Si\n0.074327 0.036990 0.107774 O\n0.507847 0.014098 0.588265 O\n0.507847 0.985902 0.088265 O\n0.074326 0.963011 0.607774 O\n0.316265 0.987190 0.813183 O\n0.766887 0.924155 0.837405 O\n0.266883 0.575850 0.167060 O\n0.816268 0.487194 0.691278 O\n0.574323 0.536986 0.396692 O\n0.007844 0.514101 0.916199 O\n0.007844 0.485900 0.416199 O\n0.574322 0.463015 0.896691 O\n0.316265 0.012811 0.313183 O\n0.266882 0.424150 0.667060 O\n0.816268 0.512806 0.191279 O\n0.766888 0.075846 0.337405 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 3.058975329185916,
"density_atomic": 0.08326455060476053,
"volume": 336.2775610584889,
"volume_molar": 7.232538596870409,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 33
},
{
"id": "jvasp-24267",
"created_at": "2022-09-04T14:38:19.472626Z",
"updated_at": "2022-09-04T14:38:19.472650Z",
"structure_string": "Rb4 Ge4 Bi4 S16\n1.0\n0.000000 6.634649 -0.007339\n6.811080 0.000000 0.000000\n0.000000 -5.624196 -16.935074\nRb Ge Bi S\n4 4 4 16\ndirect\n0.275130 0.746760 0.533868 Rb\n0.724869 0.246760 0.966132 Rb\n0.724870 0.253240 0.466132 Rb\n0.275130 0.753240 0.033868 Rb\n0.206377 0.230677 0.658654 Ge\n0.793622 0.730677 0.841346 Ge\n0.793623 0.769323 0.341346 Ge\n0.206377 0.269323 0.158654 Ge\n0.761673 0.215330 0.220681 Bi\n0.761673 0.284670 0.720681 Bi\n0.238327 0.715330 0.279319 Bi\n0.238326 0.784670 0.779319 Bi\n0.582950 0.826382 0.216814 S\n-0.002401 0.501547 0.355798 S\n0.582950 0.673618 0.716814 S\n0.586901 0.757933 0.418176 S\n0.030246 0.012244 0.364189 S\n0.413098 0.242067 0.581824 S\n0.969753 0.987756 0.635811 S\n0.586901 0.742067 0.918176 S\n0.417050 0.326382 0.283186 S\n-0.002401 -0.001547 0.855798 S\n0.002400 0.498454 0.644202 S\n0.002400 0.001547 0.144202 S\n0.417049 0.173618 0.783186 S\n0.969754 0.512244 0.135811 S\n0.413099 0.257933 0.081824 S\n0.030246 0.487756 0.864189 S\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.03657442323324254,
"volume": 765.5623117127044,
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"formula_full": "Rb4 Ge4 Bi4 S16",
"formula_reduced": "RbGeBiS4",
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"spacegroup": 14
},
{
"id": "jvasp-113256",
"created_at": "2022-09-04T14:38:49.049209Z",
"updated_at": "2022-09-04T14:38:49.049223Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n4.988858 -0.000203 0.000054\n0.000490 11.390505 -0.003978\n-0.000064 0.002208 5.973821\nLi Mn P O\n4 4 4 16\ndirect\n0.992073 0.065314 0.220390 Li\n0.492177 0.434674 0.720459 Li\n0.992178 0.565321 0.279598 Li\n0.492071 0.934681 0.779549 Li\n0.987109 0.328996 0.965980 Mn\n0.487112 0.671002 0.034062 Mn\n0.487013 0.170999 0.465902 Mn\n0.987011 0.829000 0.534054 Mn\n0.497727 0.914969 0.263172 P\n0.997822 0.585026 0.763219 P\n0.497819 0.414976 0.236833 P\n0.997727 0.085033 0.736771 P\n0.390996 0.354540 0.019505 O\n0.890908 0.145460 0.519430 O\n0.411762 0.844282 0.051922 O\n0.911832 0.655711 0.551967 O\n0.411831 0.344292 0.448087 O\n0.911761 0.155721 0.948020 O\n0.807810 0.918531 0.277714 O\n0.883374 0.458748 0.741341 O\n0.807904 0.418534 0.222299 O\n0.307809 0.081467 0.722235 O\n0.883273 0.958755 0.758675 O\n0.383377 0.541256 0.258711 O\n0.891006 0.645459 0.980554 O\n0.383280 0.041248 0.241270 O\n0.307906 0.581463 0.777748 O\n0.390901 0.854540 0.480509 O\n",
"nsites": 28,
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"elements": [
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"O"
],
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"density": 3.069010363811319,
"density_atomic": 0.08248246807424792,
"volume": 339.466078716211,
"volume_molar": 7.301116104550937,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.548150963054187,
"spacegroup": 33
},
{
"id": "jvasp-47677",
"created_at": "2022-09-04T14:37:19.902953Z",
"updated_at": "2022-09-04T14:37:19.902968Z",
"structure_string": "Li1 Co1 P1 O4\n1.0\n-0.000000 4.747259 0.000000\n2.373630 -2.373630 3.706759\n4.747259 0.000000 -0.000000\nLi Co P O\n1 1 1 4\ndirect\n0.500000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.750000 0.500000 0.750000 P\n0.440273 0.262330 0.059194 O\n0.678476 0.737670 0.440273 O\n0.822058 0.262330 0.678476 O\n0.059194 0.737670 0.822057 O\n",
"nsites": 7,
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"elements": [
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],
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"density": 3.1972600614544797,
"density_atomic": 0.08379494809509293,
"volume": 83.5372556357001,
"volume_molar": 7.186758744889848,
"formula_full": "Li1 Co1 P1 O4",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.423894342857143,
"spacegroup": 82
},
{
"id": "jvasp-40683",
"created_at": "2022-09-04T14:38:06.108048Z",
"updated_at": "2022-09-04T14:38:06.108080Z",
"structure_string": "Li3 Mn3 P3 O12\n1.0\n2.628424 -4.552564 -0.000000\n2.628424 4.552564 0.000000\n-0.000000 -0.000000 13.220785\nLi Mn P O\n3 3 3 12\ndirect\n0.000000 0.000000 0.833333 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.166667 Li\n0.499999 0.499999 0.333333 Mn\n-0.000000 0.499999 0.666667 Mn\n0.499999 -0.000000 0.000000 Mn\n0.499999 0.499999 0.833333 P\n-0.000000 0.499999 0.166667 P\n0.499999 -0.000000 0.500000 P\n0.181049 0.403533 0.232257 O\n0.222484 0.403533 0.767743 O\n0.181049 0.777515 0.101076 O\n0.222484 0.818950 0.565590 O\n0.818950 0.222484 0.101076 O\n0.403533 0.181049 0.434410 O\n0.818949 0.596466 0.232257 O\n0.777515 0.596466 0.767743 O\n0.596466 0.777515 0.898924 O\n0.403533 0.222484 0.898924 O\n0.777515 0.181049 0.565590 O\n0.596466 0.818949 0.434410 O\n",
"nsites": 21,
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"elements": [
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],
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"density": 2.4695469085919406,
"density_atomic": 0.06637133795561055,
"volume": 316.4016373158681,
"volume_molar": 9.073405698145837,
"formula_full": "Li3 Mn3 P3 O12",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.557680963054187,
"spacegroup": 180
}
]
}