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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=421",
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"results": [
{
"id": "jvasp-34433",
"created_at": "2022-09-04T14:38:14.382832Z",
"updated_at": "2022-09-04T14:38:14.382850Z",
"structure_string": "Li3 Mn3 Fe3 F18\n1.0\n4.284180 -7.420418 -0.000000\n4.284180 7.420418 0.000000\n0.000000 0.000000 4.644262\nLi Mn Fe F\n3 3 3 18\ndirect\n-0.000000 0.701889 0.500000 Li\n0.701889 -0.000000 0.500000 Li\n0.298111 0.298111 0.500000 Li\n0.361803 -0.000000 0.000000 Mn\n0.638197 0.638197 0.000000 Mn\n-0.000000 0.361803 0.000000 Mn\n0.333333 0.666667 0.502680 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.497319 Fe\n0.419955 0.543862 0.731389 F\n0.455641 0.220767 0.724267 F\n0.220767 0.455641 0.275733 F\n0.234874 0.779233 0.275733 F\n0.544359 0.765126 0.275733 F\n0.456138 0.876093 0.731389 F\n0.123907 0.580045 0.731389 F\n0.543862 0.419955 0.268611 F\n0.100516 0.212621 0.776143 F\n0.580045 0.123907 0.268611 F\n0.112105 0.899484 0.776143 F\n0.765126 0.544359 0.724267 F\n0.787378 0.887894 0.776143 F\n0.899484 0.112105 0.223856 F\n0.887894 0.787378 0.223856 F\n0.212621 0.100516 0.223856 F\n0.876093 0.456138 0.268611 F\n0.779233 0.234874 0.724267 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li-Mn",
"density": 3.909135364401023,
"density_atomic": 0.09143679119625292,
"volume": 295.28595269763207,
"volume_molar": 6.5861243392438595,
"formula_full": "Li3 Mn3 Fe3 F18",
"formula_reduced": "LiMnFeF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.7111949373754787,
"spacegroup": 150
},
{
"id": "jvasp-42516",
"created_at": "2022-09-04T14:38:00.927596Z",
"updated_at": "2022-09-04T14:38:00.927615Z",
"structure_string": "Li2 Mn3 Cu1 O8\n1.0\n5.820336 0.042374 0.029964\n2.946866 5.019372 0.029964\n2.946866 1.701374 4.722322\nLi Mn Cu O\n2 3 1 8\ndirect\n0.119622 0.119621 0.119621 Li\n0.497917 0.497914 0.497914 Li\n0.003953 0.499670 0.499670 Mn\n0.499672 0.003951 0.499670 Mn\n0.499672 0.499670 0.003951 Mn\n0.882632 0.882628 0.882627 Cu\n0.261879 0.261878 0.261878 O\n0.250399 0.250396 0.710583 O\n0.250399 0.710583 0.250396 O\n0.710585 0.250396 0.250396 O\n0.291634 0.745968 0.745968 O\n0.745971 0.291630 0.745968 O\n0.745971 0.745968 0.291630 O\n0.739720 0.739717 0.739716 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.494620255316487,
"density_atomic": 0.10235091549982023,
"volume": 136.78431630662445,
"volume_molar": 5.883817189706113,
"formula_full": "Li2 Mn3 Cu1 O8",
"formula_reduced": "Li2Mn3CuO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.780597869581281,
"spacegroup": 160
},
{
"id": "jvasp-117247",
"created_at": "2022-09-04T14:38:47.884034Z",
"updated_at": "2022-09-04T14:38:47.884059Z",
"structure_string": "Li4 Mn2 Cu2 O8\n1.0\n3.697215 0.000203 1.641685\n-1.422322 7.299218 -1.781326\n-0.043026 -0.069121 5.080903\nLi Mn Cu O\n4 2 2 8\ndirect\n0.250222 0.875095 0.374653 Li\n0.250217 0.375128 0.874695 Li\n0.499991 0.749991 0.750006 Li\n0.499739 0.249875 0.250391 Li\n0.000093 0.500046 0.499861 Mn\n0.000078 0.000040 0.999882 Mn\n0.749950 0.624958 0.125053 Cu\n0.749908 0.124970 0.625143 Cu\n0.992152 0.246076 0.261765 O\n0.992215 0.746109 0.761673 O\n0.507690 0.003852 0.988470 O\n0.507710 0.503850 0.488430 O\n0.774315 0.887140 0.338510 O\n0.774332 0.387182 0.838518 O\n0.225677 0.112851 0.661489 O\n0.225694 0.612835 0.161446 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.748339384705515,
"density_atomic": 0.11649882812403602,
"volume": 137.34043730435502,
"volume_molar": 5.169271534292381,
"formula_full": "Li4 Mn2 Cu2 O8",
"formula_reduced": "Li2MnCuO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.9461077114224132,
"spacegroup": 119
},
{
"id": "jvasp-42528",
"created_at": "2022-09-04T14:37:28.786028Z",
"updated_at": "2022-09-04T14:37:28.786045Z",
"structure_string": "Li3 Mn5 Cu2 O12\n1.0\n5.046040 0.091029 -0.080478\n2.230798 4.527069 0.080478\n-0.558583 0.880171 9.356721\nLi Mn Cu O\n3 5 2 12\ndirect\n0.315241 0.860628 0.987361 Li\n0.860629 0.315240 0.512639 Li\n0.917380 0.917380 0.750000 Li\n0.077194 0.077193 0.250000 Mn\n0.419423 0.419423 0.250000 Mn\n0.579379 0.579378 0.750000 Mn\n0.506977 0.997274 0.507156 Mn\n0.997275 0.506977 0.992844 Mn\n0.260881 0.260881 0.750000 Cu\n0.754692 0.754692 0.250000 Cu\n0.654821 0.809430 0.882378 O\n0.741397 0.425930 0.144063 O\n0.753012 0.081312 0.365433 O\n0.425930 0.741397 0.355937 O\n0.567327 0.275955 0.637606 O\n0.164388 0.309322 0.377603 O\n0.275956 0.567327 0.862394 O\n0.309323 0.164387 0.122397 O\n0.081312 0.753012 0.134566 O\n0.942134 0.259892 0.861569 O\n0.259893 0.942133 0.638430 O\n0.809430 0.654820 0.617621 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.834054019121317,
"density_atomic": 0.10420628712602134,
"volume": 211.1196992691469,
"volume_molar": 5.77905702821669,
"formula_full": "Li3 Mn5 Cu2 O12",
"formula_reduced": "Li3Mn5(CuO6)2",
"formula_anonymous": "A2B3C5D12",
"energy_above_hull": 2.890199050313479,
"spacegroup": 5
},
{
"id": "jvasp-43424",
"created_at": "2022-09-04T14:35:43.350714Z",
"updated_at": "2022-09-04T14:35:43.350737Z",
"structure_string": "Li4 Mn2 Cu2 O8\n1.0\n5.943521 0.037889 -0.070346\n0.399584 5.930195 -0.070346\n-3.225384 -3.034690 4.098643\nLi Mn Cu O\n4 2 2 8\ndirect\n-0.000000 0.500000 0.499999 Li\n0.499999 0.500000 0.499999 Li\n0.500000 -0.000000 -0.000000 Li\n0.499999 0.500000 -0.000001 Li\n-0.000001 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.499999 Mn\n0.000000 -0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.234401 0.738363 0.017985 O\n0.270828 0.239560 0.488895 O\n0.261636 0.765598 0.482013 O\n0.760438 0.729172 0.011102 O\n0.239560 0.270828 0.988895 O\n0.738363 0.234402 0.517984 O\n0.729170 0.760440 0.511102 O\n0.765597 0.261636 0.982013 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.596436373319908,
"density_atomic": 0.11277194144193908,
"volume": 141.87926354214306,
"volume_molar": 5.340105599849512,
"formula_full": "Li4 Mn2 Cu2 O8",
"formula_reduced": "Li2MnCuO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.9485314614224132,
"spacegroup": 15
},
{
"id": "jvasp-46801",
"created_at": "2022-09-04T14:38:07.589493Z",
"updated_at": "2022-09-04T14:38:07.589519Z",
"structure_string": "Li1 Mn5 Cu2 O12\n1.0\n5.004693 -0.022078 -0.041574\n2.110849 4.537814 0.041574\n-0.507912 0.800328 9.001447\nLi Mn Cu O\n1 5 2 12\ndirect\n0.920365 0.920364 0.750000 Li\n0.085399 0.085399 0.250000 Mn\n0.423444 0.423444 0.250000 Mn\n0.575756 0.575755 0.750000 Mn\n0.512219 -0.003153 0.510644 Mn\n-0.003153 0.512219 0.989357 Mn\n0.244254 0.244254 0.750000 Cu\n0.753467 0.753466 0.250000 Cu\n0.666031 0.799681 0.885212 O\n0.761672 0.420279 0.144752 O\n0.746932 0.083157 0.355947 O\n0.420280 0.761672 0.355248 O\n0.553034 0.261825 0.636304 O\n0.083158 0.746931 0.144053 O\n0.261825 0.553034 0.863696 O\n0.316931 0.189222 0.122215 O\n0.916900 0.269278 0.861219 O\n0.189222 0.316931 0.377785 O\n0.269278 0.916899 0.638782 O\n0.799682 0.666030 0.614788 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.877488330250846,
"density_atomic": 0.09779303387213156,
"volume": 204.51354465749398,
"volume_molar": 6.158046766269873,
"formula_full": "Li1 Mn5 Cu2 O12",
"formula_reduced": "LiMn5(CuO6)2",
"formula_anonymous": "AB2C5D12",
"energy_above_hull": 3.082655455344827,
"spacegroup": 5
},
{
"id": "jvasp-42991",
"created_at": "2022-09-04T14:38:10.146805Z",
"updated_at": "2022-09-04T14:38:10.146833Z",
"structure_string": "Li4 Mn4 Cu2 O12\n1.0\n5.069466 -0.054229 -0.000000\n-2.594473 4.355585 0.000000\n0.000000 0.000000 10.119260\nLi Mn Cu O\n4 4 2 12\ndirect\n0.177006 0.677006 0.750000 Li\n0.322996 0.822996 0.250000 Li\n0.677006 0.177005 0.750000 Li\n0.822996 0.322995 0.250000 Li\n0.163544 0.836458 0.500000 Mn\n0.336457 0.663544 0.000000 Mn\n0.663544 0.336456 0.000000 Mn\n0.836458 0.163543 0.500000 Mn\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500000 0.500000 Cu\n0.506229 0.131558 0.392711 O\n0.840101 0.840100 0.405131 O\n0.368444 0.993772 0.892711 O\n0.659902 0.659901 0.905131 O\n0.340100 0.340100 0.094869 O\n0.006229 0.631558 0.107289 O\n0.493773 0.868443 0.607289 O\n0.131558 0.506229 0.392711 O\n0.993773 0.368442 0.892711 O\n0.868443 0.493772 0.607289 O\n0.159901 0.159901 0.594869 O\n0.631558 0.006228 0.107289 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.2378454161808925,
"density_atomic": 0.0990926340670987,
"volume": 222.0144837920356,
"volume_molar": 6.077283964338077,
"formula_full": "Li4 Mn4 Cu2 O12",
"formula_reduced": "Li2Mn2CuO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.473018721159874,
"spacegroup": 64
},
{
"id": "jvasp-44446",
"created_at": "2022-09-04T14:38:10.851597Z",
"updated_at": "2022-09-04T14:38:10.851624Z",
"structure_string": "Li4 Mn6 Cu2 O16\n1.0\n5.708107 -0.008939 -0.083984\n-2.861795 4.956775 0.167966\n-0.136061 0.235665 9.594518\nLi Mn Cu O\n4 6 2 16\ndirect\n0.325639 0.649150 0.894923 Li\n0.008376 0.025969 0.996131 Li\n-0.008377 0.017593 0.496131 Li\n0.674360 0.323511 0.394923 Li\n0.822617 0.660232 0.713873 Mn\n0.326786 0.161546 0.714922 Mn\n0.818970 0.162997 0.715481 Mn\n0.181029 0.344027 0.215480 Mn\n0.177382 0.837615 0.213872 Mn\n0.673213 0.834758 0.214922 Mn\n0.329113 0.669321 0.494679 Cu\n0.670886 0.340206 0.994679 Cu\n0.324207 0.170314 0.105357 O\n0.855103 0.703248 0.107387 O\n0.657908 0.338894 0.607859 O\n0.502746 0.009098 0.821121 O\n0.506749 0.464695 0.831945 O\n0.675792 0.846106 0.605358 O\n0.497254 0.506353 0.321121 O\n0.044270 0.509267 0.329860 O\n0.149105 0.321118 0.606263 O\n0.988823 0.984497 0.814127 O\n0.011174 0.995674 0.314127 O\n0.342091 0.680985 0.107859 O\n0.955729 0.464996 0.829860 O\n0.144895 0.848144 0.607387 O\n0.493249 0.957945 0.331945 O\n0.850895 0.172012 0.106264 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"Cu",
"O"
],
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"density": 4.537318832414056,
"density_atomic": 0.10332324201646118,
"volume": 270.99420666203173,
"volume_molar": 5.828447348797447,
"formula_full": "Li4 Mn6 Cu2 O16",
"formula_reduced": "Li2Mn3CuO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.781081441009852,
"spacegroup": 9
},
{
"id": "jvasp-44754",
"created_at": "2022-09-04T14:38:07.730717Z",
"updated_at": "2022-09-04T14:38:07.730747Z",
"structure_string": "Li2 Mn2 Cu2 O8\n1.0\n5.717924 0.000306 0.000259\n-0.000620 5.837567 -0.001994\n-2.858778 -2.917500 4.173627\nLi Mn Cu O\n2 2 2 8\ndirect\n0.619882 0.869897 0.739766 Li\n0.380118 0.130106 0.260236 Li\n0.000000 0.500001 0.000001 Mn\n0.500000 0.500001 0.000001 Mn\n0.000000 0.500001 0.500001 Cu\n0.000000 0.000000 0.500000 Cu\n0.208256 0.726276 0.452557 O\n0.753257 0.284789 0.006530 O\n0.753299 0.721785 0.006582 O\n0.744297 0.726262 0.452556 O\n0.255703 0.273740 0.547446 O\n0.246744 0.715213 -0.006529 O\n0.246701 0.278218 0.993420 O\n0.791744 0.273726 0.547445 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.51665921761055,
"density_atomic": 0.10051580848721306,
"volume": 139.2815738211068,
"volume_molar": 5.991237448750258,
"formula_full": "Li2 Mn2 Cu2 O8",
"formula_reduced": "LiMnCuO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.087600241625616,
"spacegroup": 74
},
{
"id": "jvasp-120742",
"created_at": "2022-09-04T14:38:52.148025Z",
"updated_at": "2022-09-04T14:38:52.148039Z",
"structure_string": "Li1 Mn5 Cu2 O12\n1.0\n4.987137 -0.078421 -0.320065\n2.169687 4.491119 0.320064\n-0.009678 0.015697 9.041874\nLi Mn Cu O\n1 5 2 12\ndirect\n0.920451 0.920452 0.750000 Li\n0.082705 0.082705 0.250000 Mn\n0.425049 0.425050 0.250000 Mn\n0.575653 0.575654 0.750000 Mn\n0.512188 -0.003835 0.511088 Mn\n-0.003836 0.512189 0.988912 Mn\n0.243983 0.243984 0.750000 Cu\n0.752890 0.752891 0.250000 Cu\n0.665807 0.799795 0.885597 O\n0.762486 0.415835 0.141812 O\n0.748517 0.089989 0.358678 O\n0.415835 0.762486 0.358188 O\n0.552008 0.262581 0.635882 O\n0.089989 0.748518 0.141322 O\n0.262580 0.552009 0.864118 O\n0.316600 0.188418 0.122236 O\n0.915882 0.269694 0.860776 O\n0.188417 0.316600 0.377764 O\n0.269693 0.915883 0.639223 O\n0.799794 0.665808 0.614403 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.889595203807331,
"density_atomic": 0.09803577517987634,
"volume": 204.0071592569543,
"volume_molar": 6.142799145465579,
"formula_full": "Li1 Mn5 Cu2 O12",
"formula_reduced": "LiMn5(CuO6)2",
"formula_anonymous": "AB2C5D12",
"energy_above_hull": 3.080297955344827,
"spacegroup": 5
},
{
"id": "jvasp-119342",
"created_at": "2022-09-04T14:38:50.859401Z",
"updated_at": "2022-09-04T14:38:50.859430Z",
"structure_string": "Li2 Mn1 Cu3 O8\n1.0\n5.052505 0.018464 2.922239\n1.694369 4.759964 2.922239\n0.026070 0.018464 5.836661\nLi Mn Cu O\n2 1 3 8\ndirect\n0.130664 0.130663 0.130664 Li\n0.869338 0.869334 0.869337 Li\n0.500001 0.499999 0.500000 Mn\n0.500001 -0.000001 0.500000 Cu\n0.000000 0.499999 0.500000 Cu\n0.500001 0.499999 0.000000 Cu\n0.267869 0.267867 0.267868 O\n0.274854 0.274852 0.717063 O\n0.717064 0.274852 0.274853 O\n0.274854 0.717061 0.274854 O\n0.725148 0.282936 0.725147 O\n0.282938 0.725145 0.725147 O\n0.725148 0.725145 0.282938 O\n0.732133 0.732130 0.732132 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
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"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.6072571598292384,
"density_atomic": 0.10025408769266306,
"volume": 139.64517878730413,
"volume_molar": 6.006878022232225,
"formula_full": "Li2 Mn1 Cu3 O8",
"formula_reduced": "Li2MnCu3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.0038026136699507,
"spacegroup": 166
},
{
"id": "jvasp-43213",
"created_at": "2022-09-04T14:35:50.697922Z",
"updated_at": "2022-09-04T14:35:50.697942Z",
"structure_string": "Li2 Mn1 Cu1 O4\n1.0\n5.091620 -0.184290 0.000000\n2.062640 4.658763 0.000000\n-3.577131 -2.237237 2.856128\nLi Mn Cu O\n2 1 1 4\ndirect\n0.250000 0.749999 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250000 0.500000 Cu\n0.507428 0.007428 0.500000 O\n0.225177 0.225177 -0.000000 O\n0.992572 0.492572 0.500000 O\n0.774823 0.774822 -0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.7369795649859,
"density_atomic": 0.11622011896325063,
"volume": 68.8348977041543,
"volume_molar": 5.181668039682726,
"formula_full": "Li2 Mn1 Cu1 O4",
"formula_reduced": "Li2MnCuO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.9489102114224133,
"spacegroup": 119
}
]
}