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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=297",
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"results": [
{
"id": "jvasp-112280",
"created_at": "2022-09-04T14:38:26.122536Z",
"updated_at": "2022-09-04T14:38:26.122561Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.821930 -0.040748 0.267358\n-0.000828 4.864060 0.737525\n0.067410 0.208889 14.436653\nLi Mn Co O\n7 2 3 12\ndirect\n0.091030 0.418528 0.817339 Li\n0.743228 0.762733 0.514699 Li\n0.412113 0.079397 0.175876 Li\n0.595904 0.909154 0.807534 Li\n0.246717 0.252837 0.507681 Li\n0.912089 0.579320 0.175917 Li\n0.168327 0.833515 0.663607 Li\n-0.000463 -0.004152 0.001162 Mn\n0.499601 0.496489 0.001032 Mn\n0.332082 0.669414 0.335112 Co\n0.831969 0.169044 0.335334 Co\n0.668263 0.334432 0.663776 Co\n0.797543 0.470026 0.403741 O\n0.536194 0.197709 0.928373 O\n0.205390 0.526247 0.590011 O\n0.869327 0.872079 0.261105 O\n0.036688 0.699146 0.927394 O\n0.707042 0.069751 0.586462 O\n0.369244 0.371232 0.261277 O\n0.628588 0.599157 0.742826 O\n0.296994 0.968090 0.404812 O\n0.960923 0.292627 0.077847 O\n0.130331 0.141127 0.739126 O\n0.460864 0.792098 0.077959 O\n",
"nsites": 24,
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],
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"density": 4.430070129080204,
"density_atomic": 0.12143717268693799,
"volume": 197.6330597046376,
"volume_molar": 4.959058768211714,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
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"spacegroup": 8
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{
"id": "jvasp-9471",
"created_at": "2022-09-04T14:38:30.135010Z",
"updated_at": "2022-09-04T14:38:30.135033Z",
"structure_string": "Zn1 Co4 O8\n1.0\n2.769834 -0.000024 0.568134\n1.257071 6.155371 0.907972\n-0.005535 0.548893 7.061999\nZn Co O\n1 4 8\ndirect\n0.423652 0.052851 0.100289 Zn\n0.624992 0.180011 0.570108 Co\n0.143699 0.510719 0.202009 Co\n0.831599 0.484714 0.852202 Co\n0.352067 0.804372 0.491580 Co\n0.876207 0.641160 0.606525 O\n0.451690 0.288716 0.808035 O\n0.526333 0.698850 0.248591 O\n0.098258 0.350412 0.453166 O\n0.165545 -0.005907 0.674935 O\n0.777882 0.332237 0.112144 O\n0.817387 0.993939 0.371328 O\n0.208172 0.644035 0.939730 O\n",
"nsites": 13,
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"elements": [
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],
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"density_atomic": 0.1088470129868402,
"volume": 119.43368626543499,
"volume_molar": 5.532665155200987,
"formula_full": "Zn1 Co4 O8",
"formula_reduced": "Zn(CoO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.825862461538462,
"spacegroup": 8
},
{
"id": "jvasp-111400",
"created_at": "2022-09-04T14:38:26.410692Z",
"updated_at": "2022-09-04T14:38:26.410712Z",
"structure_string": "Li1 Co2 Cu1 O6\n1.0\n6.390753 0.004789 -1.428908\n0.613847 2.737756 -0.000001\n0.128428 -0.028796 5.606375\nLi Co Cu O\n1 2 1 6\ndirect\n0.634697 0.682652 0.135883 Li\n-0.000841 0.000421 0.000280 Co\n0.689886 0.655057 0.648844 Co\n0.318332 0.340835 0.366847 Cu\n0.968167 0.515917 0.203538 O\n0.390033 0.804983 0.591847 O\n0.697361 0.151319 0.882108 O\n0.294393 0.852805 0.131730 O\n0.684793 0.157604 0.432900 O\n0.989846 0.505077 0.772694 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Co-Cu-Li-O",
"density": 4.78867878622264,
"density_atomic": 0.10141768599521216,
"volume": 98.60213139227109,
"volume_molar": 5.937959144802714,
"formula_full": "Li1 Co2 Cu1 O6",
"formula_reduced": "LiCo2CuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.4406913250000004,
"spacegroup": 8
},
{
"id": "jvasp-112348",
"created_at": "2022-09-04T14:38:26.435606Z",
"updated_at": "2022-09-04T14:38:26.435629Z",
"structure_string": "Sr2 Nd1 Sm1 Mn4 O12\n1.0\n5.431010 0.003980 0.046999\n0.050797 5.430774 0.046999\n0.006683 0.006626 7.716175\nSr Nd Sm Mn O\n2 1 1 4 12\ndirect\n0.749736 0.749737 0.999739 Sr\n0.249791 0.249792 0.499846 Sr\n0.753474 0.753474 0.504655 Nd\n0.256769 0.256768 0.005670 Sm\n0.250586 0.750748 0.751274 Mn\n0.750382 0.250044 0.249610 Mn\n0.250044 0.750381 0.249610 Mn\n0.750748 0.250586 0.751274 Mn\n0.473859 0.473859 0.724456 O\n0.974559 0.974558 0.222965 O\n0.034387 0.464147 0.240001 O\n0.534230 0.965771 0.742726 O\n0.209040 0.776159 0.499674 O\n0.965771 0.534230 0.742726 O\n0.776159 0.209040 0.499674 O\n0.276501 0.703459 0.999588 O\n0.039815 0.039816 0.790601 O\n0.464147 0.034387 0.240001 O\n0.703458 0.276501 0.999588 O\n0.536543 0.536543 0.286329 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Mn-Nd-O-Sm-Sr",
"density": 6.432492531686071,
"density_atomic": 0.08788100631170638,
"volume": 227.58046180151507,
"volume_molar": 6.852607875972634,
"formula_full": "Sr2 Nd1 Sm1 Mn4 O12",
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"formula_anonymous": "ABC2D4E12",
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"spacegroup": 8
},
{
"id": "jvasp-112360",
"created_at": "2022-09-04T14:38:26.617275Z",
"updated_at": "2022-09-04T14:38:26.617299Z",
"structure_string": "Li4 Al2 Cr4 Sb2 O16\n1.0\n5.847101 -0.005946 0.026503\n2.956406 5.044630 0.026503\n-0.006831 -0.003910 9.542702\nLi Al Cr Sb O\n4 2 4 2 16\ndirect\n0.334201 0.334200 0.598241 Li\n0.665572 0.665571 0.093147 Li\n0.001577 0.001577 0.007031 Li\n0.998243 0.998241 0.513575 Li\n0.340277 0.830141 0.785678 Al\n0.830142 0.340276 0.785678 Al\n0.168479 0.660600 0.285981 Cr\n0.830068 0.830066 0.785808 Cr\n0.168800 0.168800 0.285630 Cr\n0.660601 0.168478 0.285981 Cr\n0.333970 0.333970 0.009397 Sb\n0.664786 0.664785 0.514175 Sb\n0.331747 0.331747 0.392761 O\n0.517061 0.517060 0.662728 O\n0.484764 0.032099 0.158577 O\n0.032100 0.484763 0.158577 O\n0.483095 0.483095 0.159431 O\n0.659831 0.659830 0.887234 O\n0.836470 0.323559 0.404998 O\n0.008099 0.008099 0.700531 O\n0.836529 0.836528 0.405963 O\n0.169691 0.676594 0.900275 O\n0.676594 0.169690 0.900275 O\n0.165122 0.165121 0.898323 O\n0.965479 0.513107 0.661723 O\n0.000046 0.000046 0.190949 O\n0.323560 0.836469 0.404998 O\n0.513108 0.965477 0.661723 O\n",
"nsites": 28,
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"elements": [
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"Cr",
"Sb",
"O"
],
"chemical_system": "Al-Cr-Li-O-Sb",
"density": 4.653142137412998,
"density_atomic": 0.09941596614539702,
"volume": 281.644901574961,
"volume_molar": 6.057518720074147,
"formula_full": "Li4 Al2 Cr4 Sb2 O16",
"formula_reduced": "Li2AlCr2SbO8",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.797474407142857,
"spacegroup": 8
},
{
"id": "jvasp-117382",
"created_at": "2022-09-04T14:38:27.167850Z",
"updated_at": "2022-09-04T14:38:27.167875Z",
"structure_string": "K3 Ti8 O17\n1.0\n8.008351 -0.022176 0.704574\n7.099913 3.704783 0.704574\n-0.028765 -0.007011 12.115461\nK Ti O\n3 8 17\ndirect\n0.557931 0.557929 0.164233 K\n0.442625 0.442624 0.820869 K\n0.510830 0.510828 0.455178 K\n0.199029 0.199028 0.423419 Ti\n0.804067 0.804065 0.578953 Ti\n0.887809 0.887806 0.070232 Ti\n0.111086 0.111086 0.928626 Ti\n0.755877 0.755875 0.830653 Ti\n0.150309 0.150309 0.674325 Ti\n0.848978 0.848975 0.324567 Ti\n0.243138 0.243137 0.170749 Ti\n0.105962 0.105962 0.535174 O\n0.227745 0.227745 0.816127 O\n0.772054 0.772052 0.185805 O\n0.148630 0.148629 0.293042 O\n0.850266 0.850263 0.710908 O\n-0.000159 -0.000159 0.000668 O\n0.894053 0.894050 0.464884 O\n0.725640 0.725638 0.433602 O\n0.684727 0.684725 0.675928 O\n0.364882 0.364881 0.090405 O\n0.635103 0.635101 0.913307 O\n0.274212 0.274211 0.568241 O\n0.940415 0.940412 0.226965 O\n0.172370 0.172370 0.063228 O\n0.827700 0.827698 0.938143 O\n0.316044 0.316043 0.325741 O\n0.061598 0.061598 0.777040 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 3.547725000997848,
"density_atomic": 0.07746712585567521,
"volume": 361.44364065042606,
"volume_molar": 7.7738017171561555,
"formula_full": "K3 Ti8 O17",
"formula_reduced": "K3Ti8O17",
"formula_anonymous": "A3B8C17",
"energy_above_hull": 3.043490005952381,
"spacegroup": 8
},
{
"id": "jvasp-117319",
"created_at": "2022-09-04T14:38:26.604712Z",
"updated_at": "2022-09-04T14:38:26.604733Z",
"structure_string": "Li4 V3 Cr3 Fe2 O16\n1.0\n5.729414 -0.000516 0.018714\n-2.848486 4.970661 -0.037331\n-0.000828 0.036475 9.284559\nLi V Cr Fe O\n4 3 3 2 16\ndirect\n0.331846 0.668164 0.108679 Li\n-0.001849 0.001847 0.004236 Li\n0.002027 0.997801 0.504556 Li\n0.665050 0.335047 0.612974 Li\n0.824097 0.651695 0.288050 V\n0.173017 0.827088 0.788648 V\n0.348248 0.175882 0.288076 V\n0.168425 0.343097 0.787997 Cr\n0.828656 0.171302 0.289118 Cr\n0.656989 0.831650 0.787993 Cr\n0.333897 0.666118 0.514571 Fe\n0.667098 0.332938 0.011414 Fe\n0.829674 0.170376 0.899317 O\n0.835424 0.661763 0.896301 O\n0.666167 0.333771 0.407521 O\n0.521346 0.045259 0.155417 O\n0.954750 0.478661 0.155398 O\n0.171199 0.828772 0.394121 O\n0.043065 0.525454 0.653437 O\n0.476755 0.523330 0.657637 O\n0.176869 0.338310 0.397984 O\n0.001639 0.998366 0.193078 O\n0.000867 0.999254 0.692678 O\n0.330113 0.669951 0.903982 O\n0.520322 0.479715 0.151285 O\n0.661646 0.823067 0.397972 O\n0.474628 0.956992 0.653417 O\n0.338310 0.164646 0.896303 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.4229031596329245,
"density_atomic": 0.10589734422625131,
"volume": 264.4070085476135,
"volume_molar": 5.686772226443757,
"formula_full": "Li4 V3 Cr3 Fe2 O16",
"formula_reduced": "Li4V3Cr3(FeO8)2",
"formula_anonymous": "A2B3C3D4E16",
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{
"id": "jvasp-117371",
"created_at": "2022-09-04T14:38:27.103793Z",
"updated_at": "2022-09-04T14:38:27.103826Z",
"structure_string": "Sm2 Ga2 Fe15 C2\n1.0\n6.398149 -0.012205 0.802546\n0.678717 6.362060 0.802546\n-0.004556 -0.004088 6.532044\nSm Ga Fe C\n2 2 15 2\ndirect\n0.343683 0.343682 0.323446 Sm\n0.653266 0.653265 0.671006 Sm\n0.336649 0.837685 0.337466 Ga\n0.837685 0.336648 0.337466 Ga\n0.343767 0.343767 0.854671 Fe\n0.152830 0.658537 0.667833 Fe\n0.658537 0.152830 0.667833 Fe\n0.663366 0.663365 0.131814 Fe\n0.995131 0.995130 0.510911 Fe\n0.496859 0.003079 0.999573 Fe\n0.003080 0.496859 0.999573 Fe\n0.276914 0.722636 0.993494 Fe\n0.005557 0.288671 0.710490 Fe\n0.722636 0.276913 0.993494 Fe\n0.990365 0.709150 0.285755 Fe\n0.288671 0.005557 0.710490 Fe\n0.902381 0.902380 0.906820 Fe\n0.092970 0.092970 0.091011 Fe\n0.709151 0.990364 0.285755 Fe\n0.512618 0.013884 0.510554 C\n0.013885 0.512618 0.510554 C\n",
"nsites": 21,
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],
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"density": 8.12747981382057,
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"volume": 265.985695942494,
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"formula_full": "Sm2 Ga2 Fe15 C2",
"formula_reduced": "Sm2Ga2Fe15C2",
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{
"id": "jvasp-9266",
"created_at": "2022-09-04T14:38:28.623346Z",
"updated_at": "2022-09-04T14:38:28.623368Z",
"structure_string": "Mg1 Mo4 O8\n1.0\n2.797382 -0.007465 -0.008666\n-1.378272 7.414375 0.189789\n-1.377138 -0.750903 7.559524\nMg Mo O\n1 4 8\ndirect\n0.449251 0.103786 0.806729 Mg\n0.808446 0.194888 0.433980 Mo\n0.653955 0.486895 0.833021 Mo\n0.307748 0.506364 0.121103 Mo\n0.143742 0.789371 0.510080 Mo\n0.504275 0.665508 0.355013 O\n0.793423 0.348103 0.250750 O\n0.165742 0.639241 0.704171 O\n0.446792 0.299711 0.605880 O\n0.178419 0.006987 0.361793 O\n0.095838 0.285986 0.917697 O\n0.811861 0.978697 0.657013 O\n0.853548 0.685101 0.033973 O\n",
"nsites": 13,
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],
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"formula_full": "Mg1 Mo4 O8",
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"formula_anonymous": "AB4C8",
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"spacegroup": 8
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{
"id": "jvasp-119752",
"created_at": "2022-09-04T14:38:27.608457Z",
"updated_at": "2022-09-04T14:38:27.608483Z",
"structure_string": "Co6 O8 F4\n1.0\n4.956212 -0.028685 1.802028\n1.366971 4.764058 1.802028\n-0.109257 -0.081821 7.058313\nCo O F\n6 8 4\ndirect\n0.673525 0.673526 0.846376 Co\n0.657315 0.657316 0.317673 Co\n0.338635 0.338636 0.652218 Co\n0.338172 0.338173 0.177346 Co\n0.997316 0.997316 0.497366 Co\n0.989752 0.989752 0.997791 Co\n0.302574 0.696406 0.002313 O\n0.696406 0.302573 0.002313 O\n0.034392 0.638888 0.668819 O\n0.361971 0.969453 0.334244 O\n0.435519 0.435520 0.366304 O\n0.638887 0.034392 0.668819 O\n0.969452 0.361971 0.334244 O\n0.765202 0.765202 0.037929 O\n0.231843 0.231844 0.964325 F\n0.577144 0.577144 0.632198 F\n0.893907 0.893907 0.308070 F\n0.097979 0.097980 0.691658 F\n",
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{
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"created_at": "2022-09-04T14:38:27.505962Z",
"updated_at": "2022-09-04T14:38:27.505987Z",
"structure_string": "V8 O8 F8\n1.0\n7.691798 0.030182 0.020392\n-2.071423 7.407690 0.020392\n-0.004800 -0.006352 4.623363\nV O F\n8 8 8\ndirect\n0.615280 0.615279 0.566976 V\n0.361219 0.862713 0.476032 V\n0.142326 0.142326 0.446249 V\n0.862713 0.361218 0.476032 V\n0.514877 0.246356 0.011087 V\n0.766622 0.994038 0.012295 V\n0.246356 0.514877 0.011087 V\n0.994038 0.766621 0.012295 V\n0.772947 0.772946 0.805867 O\n0.395686 0.650620 0.700212 O\n0.650620 0.395685 0.700212 O\n0.098985 0.353439 0.295778 O\n0.353439 0.098985 0.295778 O\n0.209839 0.725498 0.193385 O\n0.725498 0.209838 0.193385 O\n0.981448 0.981447 0.208426 O\n0.475963 0.475963 0.207662 F\n0.596122 0.836725 0.297774 F\n0.836725 0.596121 0.297774 F\n0.913605 0.153326 0.703911 F\n0.153326 0.913605 0.703911 F\n0.018791 0.534272 0.791950 F\n0.534271 0.018790 0.791950 F\n0.279312 0.279312 0.799957 F\n",
"nsites": 24,
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"elements": [
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"formula_full": "V8 O8 F8",
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},
{
"id": "jvasp-119753",
"created_at": "2022-09-04T14:38:27.656097Z",
"updated_at": "2022-09-04T14:38:27.656108Z",
"structure_string": "Mn6 O10 F2\n1.0\n5.083890 -0.018551 1.728808\n1.257019 4.926073 1.728808\n0.006822 0.005280 7.110268\nMn O F\n6 10 2\ndirect\n0.326139 0.326139 0.155344 Mn\n0.673402 0.673402 0.332531 Mn\n0.345105 0.345105 0.681273 Mn\n0.669280 0.669280 0.837476 Mn\n0.995888 0.995888 0.491738 Mn\n0.994016 0.994016 0.009649 Mn\n0.302519 0.692643 -0.000599 O\n0.692643 0.302519 -0.000599 O\n0.361278 0.971019 0.332674 O\n0.032045 0.638007 0.666045 O\n0.570160 0.570160 0.627599 O\n0.767524 0.767523 0.038905 O\n0.897186 0.897185 0.296622 O\n0.638007 0.032045 0.666045 O\n0.971019 0.361278 0.332674 O\n0.227503 0.227503 0.965862 O\n0.103877 0.103877 0.700501 F\n0.432409 0.432409 0.366267 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.918239861921392,
"density_atomic": 0.10104448708349295,
"volume": 178.13935742111906,
"volume_molar": 5.959890473810719,
"formula_full": "Mn6 O10 F2",
"formula_reduced": "Mn3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.0232043896264367,
"spacegroup": 8
}
]
}