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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3673",
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"results": [
{
"id": "jvasp-113084",
"created_at": "2022-09-04T14:38:46.654073Z",
"updated_at": "2022-09-04T14:38:46.654099Z",
"structure_string": "Li3 Mn8 O16\n1.0\n5.731115 -0.000000 0.000000\n0.000000 5.731115 0.000000\n-0.000000 -0.000000 8.101419\nLi Mn O\n3 8 16\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.754373 Li\n-0.000000 0.500000 0.245627 Li\n-0.000000 0.746871 0.875637 Mn\n0.500000 0.250763 0.373019 Mn\n0.746871 0.000000 0.124363 Mn\n0.250763 0.500000 0.626981 Mn\n0.253128 0.000000 0.124363 Mn\n-0.000000 0.253128 0.875637 Mn\n0.500000 0.749236 0.373019 Mn\n0.749236 0.500000 0.626981 Mn\n0.500000 0.222368 0.138906 O\n0.777631 0.500000 0.861094 O\n0.274485 0.000000 0.362984 O\n0.222368 0.500000 0.861094 O\n0.725514 0.000000 0.362984 O\n-0.000000 0.725514 0.637016 O\n-0.000000 0.224497 0.112213 O\n0.274769 0.500000 0.387257 O\n0.224497 0.000000 0.887787 O\n0.725230 0.500000 0.387257 O\n0.775503 0.000000 0.887787 O\n0.500000 0.777631 0.138906 O\n-0.000000 0.775503 0.112213 O\n0.500000 0.274769 0.612743 O\n0.500000 0.725230 0.612743 O\n-0.000000 0.274485 0.637016 O\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.470081857476962,
"density_atomic": 0.10146690742685,
"volume": 266.0966090788267,
"volume_molar": 5.9350786504866235,
"formula_full": "Li3 Mn8 O16",
"formula_reduced": "Li3Mn8O16",
"formula_anonymous": "A3B8C16",
"energy_above_hull": 3.465056441890166,
"spacegroup": 115
},
{
"id": "jvasp-112503",
"created_at": "2022-09-04T14:38:41.381347Z",
"updated_at": "2022-09-04T14:38:41.381368Z",
"structure_string": "Li8 Mn6 O14\n1.0\n2.959000 -0.004377 0.086217\n1.432840 6.194973 0.619449\n0.023258 0.013211 13.559733\nLi Mn O\n8 6 14\ndirect\n0.678818 0.660649 0.429619 Li\n0.565595 0.214764 0.140671 Li\n0.434407 0.785235 0.859329 Li\n0.067385 0.935396 0.296538 Li\n0.000000 0.500000 0.000000 Li\n0.932617 0.064602 0.703462 Li\n0.321184 0.339350 0.570382 Li\n0.000000 -0.000000 0.500000 Li\n0.800528 0.576128 0.220779 Mn\n0.199473 0.423871 0.779221 Mn\n0.733127 0.143412 0.926897 Mn\n0.382465 0.278572 0.365638 Mn\n0.617536 0.721427 0.634362 Mn\n0.266874 0.856587 0.073104 Mn\n0.575403 0.451243 0.889708 O\n0.657490 0.882717 0.178479 O\n0.094047 0.728960 0.735662 O\n0.108557 0.165956 0.037581 O\n0.209035 0.598970 0.322555 O\n0.790967 0.401029 0.677445 O\n0.342511 0.117282 0.821521 O\n0.522633 0.990385 0.390178 O\n0.891444 0.834043 0.962420 O\n0.905954 0.271039 0.264338 O\n0.153827 0.678713 0.547074 O\n0.477368 0.009613 0.609822 O\n0.424598 0.548756 0.110292 O\n0.846174 0.321286 0.452927 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.068637549693903,
"density_atomic": 0.11262510446865297,
"volume": 248.612422000401,
"volume_molar": 5.347067857039057,
"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.7097604445812804,
"spacegroup": 2
},
{
"id": "jvasp-107791",
"created_at": "2022-09-04T14:38:47.815109Z",
"updated_at": "2022-09-04T14:38:47.815137Z",
"structure_string": "Li1 Mn1 O2\n1.0\n2.891075 -0.000000 4.305086\n1.311403 2.576536 4.305086\n-0.000000 -0.000000 5.185757\nLi Mn O\n1 1 2\ndirect\n0.500000 0.500003 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.257544 0.257543 0.257543 O\n0.742456 0.742455 0.742461 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.035566179364479,
"density_atomic": 0.10355051327318733,
"volume": 38.628490323820856,
"volume_molar": 5.81565515190868,
"formula_full": "Li1 Mn1 O2",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9482360603448277,
"spacegroup": 166
},
{
"id": "jvasp-112849",
"created_at": "2022-09-04T14:38:44.623489Z",
"updated_at": "2022-09-04T14:38:44.623516Z",
"structure_string": "Li5 Mn7 O15\n1.0\n5.572635 0.093730 1.622482\n2.471629 4.995408 1.622482\n0.054592 0.034537 9.857235\nLi Mn O\n5 7 15\ndirect\n0.816998 0.816997 0.069218 Li\n0.244262 0.244262 0.239099 Li\n0.300956 0.300956 0.589600 Li\n0.683350 0.683350 0.433995 Li\n0.185232 0.185233 0.934087 Li\n0.247078 0.746522 0.751633 Mn\n0.746826 0.746826 0.751676 Mn\n0.746521 0.247079 0.751633 Mn\n-0.000341 -0.000340 0.495541 Mn\n0.767754 0.248459 0.241115 Mn\n0.248459 0.767755 0.241115 Mn\n0.494112 0.494111 0.005180 Mn\n0.615055 0.615055 0.645693 O\n0.840153 0.392359 0.868402 O\n0.653449 0.101045 0.633060 O\n0.878791 0.878792 0.857547 O\n0.101044 0.653450 0.633060 O\n0.102375 0.102376 0.631437 O\n0.614359 0.164273 0.131561 O\n0.872888 0.335268 0.377309 O\n0.116486 0.116486 0.133620 O\n0.335267 0.872888 0.377309 O\n0.164272 0.614359 0.131561 O\n0.392358 0.840153 0.868402 O\n0.604940 0.604940 0.137261 O\n0.892360 0.892360 0.365483 O\n0.391568 0.391569 0.870441 O\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.032007655091037,
"density_atomic": 0.09944381192547996,
"volume": 271.51010683533474,
"volume_molar": 6.055822522685274,
"formula_full": "Li5 Mn7 O15",
"formula_reduced": "Li5Mn7O15",
"formula_anonymous": "A5B7C15",
"energy_above_hull": 3.215272710727969,
"spacegroup": 8
},
{
"id": "jvasp-112921",
"created_at": "2022-09-04T14:38:45.312978Z",
"updated_at": "2022-09-04T14:38:45.313012Z",
"structure_string": "Li7 Mn5 O12\n1.0\n4.991284 0.184424 -0.582090\n-1.916500 5.237719 -0.977100\n0.080217 -0.102669 7.503987\nLi Mn O\n7 5 12\ndirect\n0.501260 0.748804 0.000901 Li\n0.499523 0.079837 0.343806 Li\n0.493202 0.407588 0.658741 Li\n0.498739 0.251195 -0.000901 Li\n0.506798 0.592411 0.341259 Li\n0.500476 0.920162 0.656194 Li\n0.000000 -0.000000 0.500000 Li\n-0.001340 0.328983 0.826372 Mn\n0.000451 0.164498 0.170910 Mn\n0.001340 0.671017 0.173629 Mn\n-0.000450 0.835502 0.829091 Mn\n0.000000 0.500000 0.500000 Mn\n0.231578 0.774751 0.408763 O\n0.779185 0.549440 0.921804 O\n0.768105 0.876791 0.239815 O\n0.768421 0.225248 0.591237 O\n0.774487 0.049293 0.918744 O\n0.771992 0.380592 0.253108 O\n0.771737 0.704473 0.592871 O\n0.225512 0.950706 0.081257 O\n0.228262 0.295526 0.407130 O\n0.228008 0.619407 0.746892 O\n0.220814 0.450559 0.078196 O\n0.231894 0.123208 0.760185 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.311687014661105,
"density_atomic": 0.12094126123168841,
"volume": 198.4434406883103,
"volume_molar": 4.979393053015483,
"formula_full": "Li7 Mn5 O12",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.8332474252873565,
"spacegroup": 2
},
{
"id": "jvasp-117312",
"created_at": "2022-09-04T14:38:26.163670Z",
"updated_at": "2022-09-04T14:38:26.163696Z",
"structure_string": "Li8 Mn6 O14\n1.0\n2.930268 -0.006180 0.283286\n0.380612 5.893744 0.691173\n0.002789 0.010439 14.320951\nLi Mn O\n8 6 14\ndirect\n0.909412 0.199426 0.629814 Li\n0.500000 0.500000 0.500000 Li\n0.090588 0.800574 0.370186 Li\n0.360297 0.927560 0.782317 Li\n0.791862 0.643623 0.927351 Li\n0.208138 0.356376 0.072649 Li\n0.639703 0.072439 0.217683 Li\n0.500001 0.000000 0.500000 Li\n0.792986 0.143552 0.927226 Mn\n0.207015 0.856448 0.072774 Mn\n0.382409 0.435274 0.782935 Mn\n0.049351 0.274253 0.365027 Mn\n0.950649 0.725746 0.634973 Mn\n0.617592 0.564726 0.217065 Mn\n0.335612 0.391489 0.920864 O\n0.911198 0.672378 0.778421 O\n0.526348 0.507564 0.353200 O\n-0.002991 0.254336 0.490850 O\n0.423116 0.937735 0.641606 O\n0.088802 0.327621 0.221579 O\n0.664389 0.608511 0.079136 O\n0.840886 0.185378 0.789643 O\n0.576884 0.062265 0.358394 O\n0.002991 0.745664 0.509150 O\n0.473653 0.492435 0.646800 O\n0.751830 0.106289 0.064891 O\n0.248171 0.893711 0.935109 O\n0.159114 0.814621 0.210357 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.08964446953223,
"density_atomic": 0.11320660294632745,
"volume": 247.33539626902436,
"volume_molar": 5.319602040223014,
"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.710061873152709,
"spacegroup": 2
},
{
"id": "jvasp-46516",
"created_at": "2022-09-04T14:38:29.417124Z",
"updated_at": "2022-09-04T14:38:29.417154Z",
"structure_string": "Li5 Mn1 O5\n1.0\n4.002606 -0.000187 0.000124\n-2.001085 4.616548 0.008527\n-0.000063 -1.804726 5.293765\nLi Mn O\n5 1 5\ndirect\n0.682614 0.361501 0.876676 Li\n0.696925 0.392892 0.348740 Li\n0.292119 0.583274 0.681846 Li\n0.309175 0.614636 0.153886 Li\n0.008252 0.988075 0.515284 Li\n0.945733 0.988079 0.015286 Mn\n0.145327 0.272486 0.847556 O\n0.513667 0.988069 0.015287 O\n0.154542 0.298156 0.327151 O\n0.844474 0.677993 0.703416 O\n0.860901 0.703657 0.183009 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.8779685186865387,
"density_atomic": 0.11238316213135452,
"volume": 97.87943132569178,
"volume_molar": 5.358579208655176,
"formula_full": "Li5 Mn1 O5",
"formula_reduced": "Li5MnO5",
"formula_anonymous": "AB5C5",
"energy_above_hull": 1.992365885579937,
"spacegroup": 5
},
{
"id": "jvasp-117410",
"created_at": "2022-09-04T14:38:26.556313Z",
"updated_at": "2022-09-04T14:38:26.556339Z",
"structure_string": "Li6 Mn1 O6\n1.0\n4.870734 0.011044 -2.803043\n1.623674 4.308862 -2.795050\n-0.007655 -0.016971 5.619784\nLi Mn O\n6 1 6\ndirect\n0.283499 0.289602 0.495371 Li\n0.077688 0.710314 0.283452 Li\n0.495449 0.710241 0.922259 Li\n0.504551 0.289758 0.077739 Li\n0.922311 0.289684 0.716547 Li\n0.716501 0.710397 0.504628 Li\n0.000000 0.000000 0.000000 Mn\n0.095246 0.758059 0.651584 O\n0.201703 0.241919 0.095210 O\n0.651613 0.241881 0.798269 O\n0.348387 0.758118 0.201729 O\n0.798296 0.758080 0.904789 O\n0.904753 0.241940 0.348415 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.7193400509947505,
"density_atomic": 0.1105466504513053,
"volume": 117.59741201499698,
"volume_molar": 5.447601293584823,
"formula_full": "Li6 Mn1 O6",
"formula_reduced": "Li6MnO6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.013189095490716,
"spacegroup": 148
},
{
"id": "jvasp-112279",
"created_at": "2022-09-04T14:38:26.217049Z",
"updated_at": "2022-09-04T14:38:26.217083Z",
"structure_string": "Li8 Mn6 O14\n1.0\n4.838036 0.014506 1.205296\n1.134024 6.745360 0.811577\n-0.008598 0.009997 7.603250\nLi Mn O\n8 6 14\ndirect\n0.707826 0.060323 0.568821 Li\n0.837607 0.762665 0.285505 Li\n0.577770 0.354997 0.849204 Li\n0.422229 0.645004 0.150797 Li\n0.292174 0.939678 0.431180 Li\n0.162392 0.237336 0.714496 Li\n-0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.646834 0.235364 0.222392 Mn\n0.353165 0.764637 0.777609 Mn\n0.783047 0.925514 0.927492 Mn\n0.073228 0.370852 0.359188 Mn\n0.926771 0.629149 0.640813 Mn\n0.216953 0.074487 0.072509 Mn\n0.392177 0.220052 0.450472 O\n0.531878 0.926741 0.164189 O\n0.668514 0.639742 0.873127 O\n0.975168 0.103440 0.317371 O\n0.845513 0.378961 0.599076 O\n0.900076 0.211662 0.981283 O\n0.024831 0.896561 0.682630 O\n0.331485 0.360259 0.126874 O\n0.468122 0.073260 0.835812 O\n0.773635 0.491580 0.255632 O\n0.607823 0.779949 0.549529 O\n0.226364 0.508421 0.744369 O\n0.154487 0.621040 0.400925 O\n0.099924 0.788339 0.018718 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.077931083488122,
"density_atomic": 0.11288236140089938,
"volume": 248.04583862804373,
"volume_molar": 5.334881982679732,
"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.7080311588669947,
"spacegroup": 2
},
{
"id": "jvasp-110322",
"created_at": "2022-09-04T14:38:18.529821Z",
"updated_at": "2022-09-04T14:38:18.529837Z",
"structure_string": "Li2 Mn2 O4\n1.0\n3.078567 0.022441 0.191683\n0.562082 4.815946 -1.374402\n0.026026 0.005264 5.047122\nLi Mn O\n2 2 4\ndirect\n1.000000 0.499999 0.499999 Li\n0.500000 0.999999 0.500000 Li\n0.500000 0.500002 -0.000000 Mn\n0.000003 0.000001 0.000001 Mn\n0.531337 0.255532 0.235089 O\n0.031336 0.755532 0.235093 O\n0.468665 0.744466 0.764909 O\n0.968665 0.244467 0.764906 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.170127885452788,
"density_atomic": 0.10700329613265579,
"volume": 74.76405203520194,
"volume_molar": 5.627995564299382,
"formula_full": "Li2 Mn2 O4",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9313260603448277,
"spacegroup": 12
},
{
"id": "jvasp-31180",
"created_at": "2022-09-04T14:38:29.150472Z",
"updated_at": "2022-09-04T14:38:29.150493Z",
"structure_string": "Li2 Mn2 O4\n1.0\n4.097684 0.000028 -0.000337\n-0.000106 4.097656 -0.000086\n-2.048712 -2.048606 4.222866\nLi Mn O\n2 2 4\ndirect\n0.749414 0.248654 0.500908 Li\n0.499339 0.498640 0.000876 Li\n0.999399 0.998708 0.000980 Mn\n0.249420 0.748675 0.500978 Mn\n0.233251 0.232520 0.468653 O\n0.765597 0.764873 0.533336 O\n0.015583 0.514882 0.033333 O\n0.483233 0.982521 0.968642 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.397265561626468,
"density_atomic": 0.11283152986891122,
"volume": 70.90216723370213,
"volume_molar": 5.337285390880176,
"formula_full": "Li2 Mn2 O4",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9301835603448276,
"spacegroup": 141
},
{
"id": "jvasp-48258",
"created_at": "2022-09-04T14:35:41.010708Z",
"updated_at": "2022-09-04T14:35:41.010724Z",
"structure_string": "Li6 Mn1 O6\n1.0\n5.384483 0.056278 0.035721\n2.412460 4.814746 0.038352\n2.416231 1.506804 4.571111\nLi Mn O\n6 1 6\ndirect\n0.078317 0.716934 0.495368 Li\n0.504535 0.921762 0.283078 Li\n0.282998 0.504503 0.921664 Li\n0.717001 0.495498 0.078335 Li\n0.495464 0.078238 0.716921 Li\n0.921683 0.283067 0.504631 Li\n0.000000 0.000000 0.000000 Mn\n0.202021 0.904790 0.650934 O\n0.349107 0.798047 0.095151 O\n0.095111 0.349095 0.797985 O\n0.904889 0.650906 0.202014 O\n0.650892 0.201953 0.904848 O\n0.797979 0.095211 0.349065 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.7263881817384346,
"density_atomic": 0.11083317116259776,
"volume": 117.29340470578393,
"volume_molar": 5.43351841044521,
"formula_full": "Li6 Mn1 O6",
"formula_reduced": "Li6MnO6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.0155837108753314,
"spacegroup": 148
}
]
}