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{
"id": "jvasp-47592",
"created_at": "2022-09-04T14:38:14.203842Z",
"updated_at": "2022-09-04T14:38:14.203862Z",
"structure_string": "Li3 Co3 P3 O12\n1.0\n2.609413 -4.519635 0.000000\n2.609413 4.519635 -0.000000\n0.000000 -0.000000 12.637082\nLi Co P O\n3 3 3 12\ndirect\n0.000000 0.000000 0.666667 Li\n0.000000 0.000000 0.333333 Li\n0.000000 0.000000 0.000000 Li\n-0.000001 0.500000 0.166667 Co\n0.500000 -0.000001 0.500000 Co\n0.499999 0.499999 0.833333 Co\n-0.000001 0.500000 0.666667 P\n0.500000 -0.000001 0.000000 P\n0.499999 0.499999 0.333333 P\n0.781214 0.181092 0.067971 O\n0.818907 0.218785 0.598695 O\n0.399878 0.181092 0.932029 O\n0.399878 0.218785 0.401305 O\n0.600121 0.781214 0.401305 O\n0.181092 0.399878 0.734638 O\n0.218785 0.818907 0.067971 O\n0.181092 0.781214 0.598695 O\n0.818907 0.600120 0.734638 O\n0.218785 0.399878 0.265362 O\n0.600120 0.818907 0.932029 O\n0.781214 0.600121 0.265362 O\n",
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"formula_full": "Li3 Co3 P3 O12",
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{
"id": "jvasp-47677",
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"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",
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"density_atomic": 0.08379494809509293,
"volume": 83.5372556357001,
"volume_molar": 7.186758744889848,
"formula_full": "Li1 Co1 P1 O4",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 82
},
{
"id": "jvasp-47584",
"created_at": "2022-09-04T14:38:13.885787Z",
"updated_at": "2022-09-04T14:38:13.885807Z",
"structure_string": "Li2 Co3 Sb1 O8\n1.0\n-2.882241 1.664064 4.706682\n-0.000000 3.328127 -4.706682\n-3.004745 -1.734790 -4.756693\nLi Co Sb O\n2 3 1 8\ndirect\n0.875061 0.124937 0.625187 Li\n0.124938 0.875062 0.374812 Li\n0.500000 0.500000 -0.000000 Co\n0.500000 -0.000000 0.000000 Co\n0.000000 0.500000 -0.000000 Co\n0.500000 0.500000 0.499999 Sb\n0.744945 0.715287 0.774604 O\n0.744944 0.255054 0.774604 O\n0.265980 0.734020 0.797939 O\n0.284713 0.255054 0.774604 O\n0.715287 0.744945 0.225395 O\n0.734019 0.265980 0.202059 O\n0.255055 0.744946 0.225395 O\n0.255055 0.284713 0.225395 O\n",
"nsites": 14,
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"elements": [
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"volume": 139.76366500961757,
"volume_molar": 6.011974741581456,
"formula_full": "Li2 Co3 Sb1 O8",
"formula_reduced": "Li2Co3SbO8",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 166
},
{
"id": "jvasp-47582",
"created_at": "2022-09-04T14:38:28.479361Z",
"updated_at": "2022-09-04T14:38:28.479371Z",
"structure_string": "Li4 Co6 Sb2 O16\n1.0\n2.874343 -4.978508 0.000000\n2.874343 4.978508 -0.000000\n0.000000 -0.000000 9.380051\nLi Co Sb O\n4 6 2 16\ndirect\n0.666667 0.333332 0.099788 Li\n0.000000 0.000000 0.005231 Li\n0.000000 0.000000 0.505230 Li\n0.333332 0.666667 0.599788 Li\n0.169610 0.339220 0.284412 Co\n0.169610 0.830389 0.284412 Co\n0.660779 0.830389 0.284412 Co\n0.830389 0.660779 0.784412 Co\n0.339221 0.169610 0.784412 Co\n0.830389 0.169610 0.784412 Co\n0.666667 0.333332 0.508061 Sb\n0.333332 0.666667 0.008061 Sb\n0.158688 0.841311 0.900699 O\n0.158688 0.317377 0.900699 O\n0.333332 0.666667 0.387269 O\n0.483824 0.967648 0.166183 O\n0.032351 0.516175 0.166183 O\n0.841310 0.158689 0.400699 O\n0.967648 0.483824 0.666183 O\n0.516175 0.483824 0.666183 O\n0.841310 0.682621 0.400699 O\n0.000000 0.000000 0.191844 O\n0.000000 0.000000 0.691844 O\n0.666667 0.333332 0.887269 O\n0.483824 0.516175 0.166183 O\n0.317378 0.158689 0.400699 O\n0.516175 0.032351 0.666183 O\n0.682622 0.841311 0.900699 O\n",
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"formula_full": "Li4 Co6 Sb2 O16",
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},
{
"id": "jvasp-119367",
"created_at": "2022-09-04T14:38:48.235888Z",
"updated_at": "2022-09-04T14:38:48.235912Z",
"structure_string": "Li6 Co6 Sb2 O16\n1.0\n5.898931 0.018508 0.045183\n-0.002951 5.846345 -0.007123\n0.033449 0.002313 8.313443\nLi Co Sb O\n6 6 2 16\ndirect\n0.500003 0.999988 -0.000002 Li\n-0.000002 0.500012 0.500002 Li\n0.750088 0.250018 0.749966 Li\n0.249912 0.749983 0.250034 Li\n0.250095 0.249992 0.249946 Li\n0.749905 0.750009 0.750053 Li\n0.749997 0.750011 0.249997 Co\n0.249981 0.749986 0.749993 Co\n0.250003 0.249990 0.750002 Co\n0.500000 -0.000002 0.500002 Co\n-0.000000 0.500002 -0.000002 Co\n0.750019 0.250015 0.250007 Co\n0.000002 0.000001 -0.000001 Sb\n0.499998 0.499999 0.500000 Sb\n0.267542 0.250451 0.507815 O\n0.266700 0.749928 0.508302 O\n0.766723 0.249962 0.008317 O\n0.732457 0.749537 0.492218 O\n0.232473 0.249533 0.992189 O\n0.767530 0.750480 0.007778 O\n0.483583 0.500740 0.741073 O\n0.531742 0.000202 0.265912 O\n0.016398 0.999256 0.758930 O\n0.516390 0.499213 0.258931 O\n0.968281 0.499841 0.234090 O\n0.468266 0.999788 0.734094 O\n0.031712 0.500170 0.765904 O\n0.733303 0.250065 0.491693 O\n0.983631 0.000792 0.241066 O\n0.233275 0.750046 0.991687 O\n",
"nsites": 30,
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"density_atomic": 0.10463937365115458,
"volume": 286.6989638146499,
"volume_molar": 5.755138386126561,
"formula_full": "Li6 Co6 Sb2 O16",
"formula_reduced": "Li3Co3SbO8",
"formula_anonymous": "AB3C3D8",
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"spacegroup": 166
},
{
"id": "jvasp-44771",
"created_at": "2022-09-04T14:38:11.401077Z",
"updated_at": "2022-09-04T14:38:11.401101Z",
"structure_string": "Li2 Co2 Sb2 O8\n1.0\n5.886000 0.000000 0.000000\n2.942999 5.394626 0.001302\n2.942999 1.799437 5.085668\nLi Co Sb O\n2 2 2 8\ndirect\n0.143227 0.106773 0.106773 Li\n0.856773 0.893228 0.893227 Li\n-0.000000 0.500001 0.500000 Co\n0.500000 0.500001 0.500000 Co\n0.500000 0.000000 0.500000 Sb\n0.500000 0.500000 -0.000000 Sb\n0.263817 0.253537 0.253537 O\n0.274735 0.243656 0.706876 O\n0.274735 0.706877 0.243655 O\n0.729110 0.253537 0.253537 O\n0.270890 0.746464 0.746463 O\n0.725265 0.756345 0.293123 O\n0.725265 0.293124 0.756344 O\n0.736182 0.746464 0.746463 O\n",
"nsites": 14,
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"density": 5.175497380364196,
"density_atomic": 0.08670327856157728,
"volume": 161.4702492484999,
"volume_molar": 6.945689782333933,
"formula_full": "Li2 Co2 Sb2 O8",
"formula_reduced": "LiCoSbO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-48075",
"created_at": "2022-09-04T14:38:08.724597Z",
"updated_at": "2022-09-04T14:38:08.724632Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n0.000000 5.138489 -0.060145\n6.474051 0.000000 0.000000\n0.000000 -0.001425 -5.140634\nLi Co Si O\n2 2 2 8\ndirect\n0.810952 0.251427 0.810764 Li\n0.189047 0.751427 0.189234 Li\n0.818993 0.751335 0.818850 Co\n0.181007 0.251335 0.181148 Co\n0.321074 0.001394 0.679096 Si\n0.678926 0.501394 0.320903 Si\n0.195721 0.208166 0.819214 O\n0.181071 0.794635 0.804620 O\n0.636065 0.990799 0.735291 O\n0.735657 0.511978 0.635689 O\n0.264342 0.011979 0.364309 O\n0.363935 0.490799 0.264708 O\n0.818928 0.294635 0.195379 O\n0.804278 0.708166 0.180785 O\n",
"nsites": 14,
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"elements": [
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"density": 3.0675322700408545,
"density_atomic": 0.08186502425031139,
"volume": 171.013202869072,
"volume_molar": 7.356182710685625,
"formula_full": "Li2 Co2 Si2 O8",
"formula_reduced": "LiCoSiO4",
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"spacegroup": 20
},
{
"id": "jvasp-46779",
"created_at": "2022-09-04T14:38:08.937650Z",
"updated_at": "2022-09-04T14:38:08.937682Z",
"structure_string": "Li3 Co2 Si2 O8\n1.0\n5.194369 -0.014040 0.001589\n-0.151051 5.193202 0.009547\n-0.080167 -0.092207 6.360960\nLi Co Si O\n3 2 2 8\ndirect\n0.826514 0.173181 0.494747 Li\n0.316020 0.316001 0.736714 Li\n0.173097 0.826422 0.494739 Li\n0.813096 0.191821 0.004923 Co\n0.191728 0.813018 0.004984 Co\n0.685997 0.686085 0.740606 Si\n0.329316 0.329241 0.259473 Si\n0.820697 0.820849 0.959436 O\n0.715693 0.366698 0.757616 O\n0.813297 0.813484 0.540623 O\n0.638981 0.274724 0.245390 O\n0.366512 0.715495 0.757635 O\n0.204638 0.204478 0.467177 O\n0.274494 0.638783 0.245403 O\n0.196506 0.196343 0.033460 O\n",
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"formula_full": "Li3 Co2 Si2 O8",
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},
{
"id": "jvasp-42931",
"created_at": "2022-09-04T14:38:11.004336Z",
"updated_at": "2022-09-04T14:38:11.004363Z",
"structure_string": "Li2 Co2 Si4 O12\n1.0\n-5.140398 0.036958 0.016420\n-0.036515 -5.140423 0.017315\n2.461525 2.428307 9.665674\nLi Co Si O\n2 2 4 12\ndirect\n0.111163 0.142439 0.331516 Li\n0.892440 0.361159 0.831517 Li\n0.716996 0.228152 0.505910 Co\n0.978152 0.966995 0.005910 Co\n0.398936 0.016537 0.833551 Si\n0.299927 0.430034 0.661466 Si\n0.180035 0.549922 0.161465 Si\n0.766539 0.648936 0.333550 Si\n0.800658 0.348504 0.361259 O\n0.763570 0.868382 0.475753 O\n0.494976 0.656597 0.213106 O\n0.406602 0.744972 0.713108 O\n0.359451 0.298124 0.510172 O\n0.048126 0.609450 0.010172 O\n0.618379 0.013569 0.975754 O\n0.144627 0.234581 0.163013 O\n0.984585 0.394627 0.663013 O\n0.098503 0.050654 0.861258 O\n0.483107 0.274851 0.775540 O\n0.024856 0.733108 0.275540 O\n",
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"elements": [
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"formula_full": "Li2 Co2 Si4 O12",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 9
},
{
"id": "jvasp-48226",
"created_at": "2022-09-04T14:38:06.290528Z",
"updated_at": "2022-09-04T14:38:06.290546Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n0.000000 8.106321 0.085059\n5.283099 0.000000 0.000000\n0.000000 -2.207529 -7.977440\nLi Co Si O\n4 4 4 16\ndirect\n0.029714 0.841532 0.922148 Li\n0.496735 0.332599 0.718193 Li\n0.029714 0.158469 0.422148 Li\n0.496735 0.667401 0.218192 Li\n0.133839 0.332750 0.798310 Co\n0.626344 0.832609 0.607527 Co\n0.133839 0.667250 0.298310 Co\n0.626344 0.167391 0.107527 Co\n0.261700 0.168957 0.177431 Si\n0.752217 0.336984 0.486466 Si\n0.261700 0.831044 0.677431 Si\n0.752217 0.663016 0.986466 Si\n0.434634 0.313048 0.157382 O\n0.786023 0.214207 0.315046 O\n0.302064 0.870801 0.235557 O\n0.186222 0.320263 0.316367 O\n0.673127 0.624828 0.444580 O\n0.947879 0.316050 0.611834 O\n0.615549 0.176989 0.563022 O\n0.673127 0.375172 0.944580 O\n0.434634 0.686953 0.657382 O\n0.786023 0.785793 0.815046 O\n0.302064 0.129199 0.735557 O\n0.186222 0.679738 0.816367 O\n0.615549 0.823011 0.063022 O\n0.115152 0.174014 0.992340 O\n0.115152 0.825987 0.492340 O\n0.947879 0.683951 0.111834 O\n",
"nsites": 28,
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"elements": [
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"density_atomic": 0.08219488607048725,
"volume": 340.6537965876399,
"volume_molar": 7.326661119568483,
"formula_full": "Li4 Co4 Si4 O16",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.441819071428572,
"spacegroup": 7
},
{
"id": "jvasp-46808",
"created_at": "2022-09-04T14:38:07.236701Z",
"updated_at": "2022-09-04T14:38:07.236721Z",
"structure_string": "Li2 Co2 Si4 O12\n1.0\n6.357326 -0.005572 -0.017530\n-0.718914 6.316549 0.017530\n-1.383235 1.235823 4.939165\nLi Co Si O\n2 2 4 12\ndirect\n0.259541 0.259541 0.250000 Li\n0.740460 0.740459 0.750001 Li\n0.084397 0.084397 0.750001 Co\n0.915603 0.915602 0.250000 Co\n0.204834 0.606686 0.754269 Si\n0.393314 0.795166 0.254268 Si\n0.606687 0.204834 0.745733 Si\n0.795166 0.393313 0.245732 Si\n0.803086 0.024398 0.860045 O\n0.638867 0.358842 0.454600 O\n0.637313 0.902794 0.324273 O\n0.641158 0.361133 0.954601 O\n0.358842 0.638867 0.045400 O\n0.097206 0.362688 0.824274 O\n0.361134 0.641158 0.545401 O\n0.196915 0.975602 0.139956 O\n0.902794 0.637312 0.175727 O\n0.024399 0.803085 0.639957 O\n0.362688 0.097206 0.675728 O\n0.975602 0.196915 0.360044 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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],
"chemical_system": "Co-Li-O-Si",
"density": 3.6564270250547812,
"density_atomic": 0.10098769563283287,
"volume": 198.04392876450237,
"volume_molar": 5.963242078416231,
"formula_full": "Li2 Co2 Si4 O12",
"formula_reduced": "LiCo(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.72432491,
"spacegroup": 15
},
{
"id": "jvasp-47882",
"created_at": "2022-09-04T14:36:46.569617Z",
"updated_at": "2022-09-04T14:36:46.569638Z",
"structure_string": "Li3 Co2 Si2 O8\n1.0\n4.977475 -0.013432 -0.015946\n0.042676 5.279867 0.011648\n0.028592 0.044279 6.350767\nLi Co Si O\n3 2 2 8\ndirect\n0.497515 0.174208 0.996133 Li\n0.996569 0.823863 0.499610 Li\n0.001835 0.340355 0.246060 Li\n0.990733 0.828436 0.982866 Co\n0.499762 0.167394 0.497545 Co\n0.991175 0.324590 0.747268 Si\n0.495367 0.678052 0.245695 Si\n0.104904 0.182515 0.965900 O\n0.664939 0.279295 0.744657 O\n0.067841 0.625570 0.748365 O\n0.111002 0.190122 0.529507 O\n0.605298 0.828244 0.454181 O\n0.598644 0.378152 0.254007 O\n0.161429 0.686662 0.237484 O\n0.614922 0.826442 0.037871 O\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Co-Li-O-Si",
"density": 3.212108389707184,
"density_atomic": 0.08987192477855993,
"volume": 166.90418099934183,
"volume_molar": 6.700803142737026,
"formula_full": "Li3 Co2 Si2 O8",
"formula_reduced": "Li3Co2(SiO4)2",
"formula_anonymous": "A2B2C3D8",
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"spacegroup": 1
}
]
}