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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=960",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=958",
"results": [
{
"id": "jvasp-45803",
"created_at": "2022-09-04T14:38:07.943106Z",
"updated_at": "2022-09-04T14:38:07.943136Z",
"structure_string": "Li8 Ti1 Mn3 O12\n1.0\n4.890272 -0.001057 -0.000212\n0.004822 4.902837 -0.000169\n0.000061 0.000487 8.362322\nLi Ti Mn O\n8 1 3 12\ndirect\n0.001066 0.499683 0.923456 Li\n0.000853 0.499720 0.231954 Li\n0.000745 0.999698 0.561372 Li\n0.000839 0.999714 0.253104 Li\n0.500950 0.499606 0.756598 Li\n0.500744 -0.000403 0.727333 Li\n0.500786 0.999709 0.416772 Li\n0.500920 0.499717 0.069962 Li\n0.000803 0.999696 0.900594 Ti\n0.500863 0.499712 0.403056 Mn\n0.500837 0.999718 0.085870 Mn\n0.000873 0.499706 0.579687 Mn\n0.825484 0.284325 0.417768 O\n0.142031 0.743635 0.740160 O\n0.176234 0.715099 0.417775 O\n0.180502 0.780098 0.071783 O\n0.326705 0.282867 0.567220 O\n0.332362 0.220987 0.921046 O\n0.349942 0.248012 0.245394 O\n0.651766 0.751426 0.245403 O\n0.669318 0.778419 0.921050 O\n0.675015 0.716538 0.567227 O\n0.821195 0.219326 0.071779 O\n0.859686 0.255764 0.740151 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 3.811448777418948,
"density_atomic": 0.11970265728715238,
"volume": 200.49680219234287,
"volume_molar": 5.030916519717355,
"formula_full": "Li8 Ti1 Mn3 O12",
"formula_reduced": "Li8TiMn3O12",
"formula_anonymous": "AB3C8D12",
"energy_above_hull": 2.6171480023946367,
"spacegroup": 3
},
{
"id": "jvasp-42824",
"created_at": "2022-09-04T14:35:56.668018Z",
"updated_at": "2022-09-04T14:35:56.668048Z",
"structure_string": "Li2 Ti2 Mn2 O8\n1.0\n5.775131 -0.000000 -0.000000\n2.887566 5.059169 -0.064694\n2.887566 1.625395 4.791395\nLi Ti Mn O\n2 2 2 8\ndirect\n0.124918 0.125082 0.125082 Li\n0.875083 0.874918 0.874918 Li\n0.500001 -0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000001 0.500000 0.500000 Mn\n0.500001 0.500000 0.500000 Mn\n0.260471 0.260735 0.260735 O\n0.257869 0.270736 0.713527 O\n0.257868 0.713527 0.270736 O\n0.718061 0.260735 0.260735 O\n0.281941 0.739265 0.739265 O\n0.742133 0.729264 0.286473 O\n0.742133 0.286472 0.729263 O\n0.739531 0.739265 0.739265 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 4.1039792645185535,
"density_atomic": 0.09957382079163256,
"volume": 140.59920457703734,
"volume_molar": 6.0479157193353945,
"formula_full": "Li2 Ti2 Mn2 O8",
"formula_reduced": "LiTiMnO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.6360799392446634,
"spacegroup": 74
},
{
"id": "jvasp-119735",
"created_at": "2022-09-04T14:38:54.193553Z",
"updated_at": "2022-09-04T14:38:54.193571Z",
"structure_string": "Li6 Ti4 Mn2 O12\n1.0\n5.209751 -0.000036 -2.573963\n2.053114 6.198380 0.894688\n-0.017749 0.230501 6.548860\nLi Ti Mn O\n6 4 2 12\ndirect\n0.749989 0.333350 0.166643 Li\n0.250027 0.333296 0.166691 Li\n0.741648 0.005975 0.488238 Li\n0.244857 0.001309 0.488233 Li\n0.758385 0.660690 0.845094 Li\n0.255130 0.665358 0.845096 Li\n-0.025729 0.021512 -0.025227 Ti\n0.486517 0.026903 0.972028 Ti\n0.525722 0.645156 0.358550 Ti\n0.013477 0.639764 0.361298 Ti\n0.982199 0.360346 0.644033 Mn\n0.517792 0.306319 0.689295 Mn\n0.872019 0.337707 0.904753 O\n0.623703 -0.011257 0.745417 O\n0.120780 0.017587 0.750453 O\n0.876291 0.677927 0.587908 O\n0.379216 0.649081 0.582872 O\n0.632312 0.675901 0.102842 O\n0.134168 0.677059 0.106992 O\n0.867685 0.990769 0.230480 O\n0.365834 0.989605 0.226340 O\n0.627979 0.328956 0.428565 O\n0.135532 0.326180 0.428330 O\n0.364457 0.340486 0.904999 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 4.252546705991242,
"density_atomic": 0.11488712034496805,
"volume": 208.90070120946484,
"volume_molar": 5.241789281442082,
"formula_full": "Li6 Ti4 Mn2 O12",
"formula_reduced": "Li3Ti2MnO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.6725795756704978,
"spacegroup": 2
},
{
"id": "jvasp-42435",
"created_at": "2022-09-04T14:35:42.261528Z",
"updated_at": "2022-09-04T14:35:42.261541Z",
"structure_string": "Li2 Ti1 Mn1 O4\n1.0\n5.211448 -0.115085 0.000000\n2.177309 4.736218 0.000000\n-3.694379 -2.310567 2.860994\nLi Ti Mn O\n2 1 1 4\ndirect\n0.250000 0.750000 0.499999 Li\n0.500000 0.500001 -0.000000 Li\n0.750000 0.250000 0.499999 Ti\n0.000000 0.000000 0.000000 Mn\n0.514944 0.014944 0.499999 O\n0.250211 0.250211 -0.000000 O\n0.985055 0.485056 0.499999 O\n0.749789 0.749790 -0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
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"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 4.206071060744319,
"density_atomic": 0.11214921769635999,
"volume": 71.33353370025027,
"volume_molar": 5.369757260638885,
"formula_full": "Li2 Ti1 Mn1 O4",
"formula_reduced": "Li2TiMnO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.4721474468390805,
"spacegroup": 119
},
{
"id": "jvasp-44707",
"created_at": "2022-09-04T14:38:03.996162Z",
"updated_at": "2022-09-04T14:38:03.996184Z",
"structure_string": "Li2 Ti1 Mn1 O4\n1.0\n0.000000 5.167818 -0.192315\n2.901113 0.000000 0.000000\n0.000000 -1.720155 -4.539019\nLi Ti Mn O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.499999 0.500000 Li\n0.500001 0.000000 0.500001 Ti\n0.500000 0.499999 0.000000 Mn\n0.733880 0.000000 0.236438 O\n0.738004 0.499999 0.742198 O\n0.266122 0.000000 0.763563 O\n0.261997 0.499999 0.257803 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 4.347648454399595,
"density_atomic": 0.1159241881408962,
"volume": 69.0106191666977,
"volume_molar": 5.194895781957593,
"formula_full": "Li2 Ti1 Mn1 O4",
"formula_reduced": "Li2TiMnO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.4753449468390807,
"spacegroup": 10
},
{
"id": "jvasp-43423",
"created_at": "2022-09-04T14:38:06.451270Z",
"updated_at": "2022-09-04T14:38:06.451304Z",
"structure_string": "Li4 Ti2 Mn4 O12\n1.0\n5.089654 0.205443 0.000000\n-2.380117 4.503534 0.000000\n0.000000 0.000000 10.061222\nLi Ti Mn O\n4 2 4 12\ndirect\n0.095834 0.595834 0.750000 Li\n0.404164 0.904164 0.250000 Li\n0.595834 0.095835 0.750000 Li\n0.904164 0.404164 0.250000 Li\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.500000 Ti\n0.164700 0.835298 0.500000 Mn\n0.335298 0.664700 0.000000 Mn\n0.664700 0.335299 0.000000 Mn\n0.835298 0.164700 0.500000 Mn\n0.553781 0.207699 0.387142 O\n0.829245 0.829246 0.409301 O\n0.292299 0.946217 0.887142 O\n0.670752 0.670752 0.909301 O\n0.329246 0.329246 0.090699 O\n0.053781 0.707699 0.112858 O\n0.446217 0.792299 0.612858 O\n0.207699 0.553782 0.387142 O\n0.946217 0.292299 0.887142 O\n0.792299 0.446217 0.612858 O\n0.170753 0.170753 0.590699 O\n0.707699 0.053782 0.112858 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 3.773465285583195,
"density_atomic": 0.09340345957146234,
"volume": 235.53731415235163,
"volume_molar": 6.447449363899098,
"formula_full": "Li4 Ti2 Mn4 O12",
"formula_reduced": "Li2TiMn2O6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.889612165099268,
"spacegroup": 64
},
{
"id": "jvasp-47891",
"created_at": "2022-09-04T14:36:49.779118Z",
"updated_at": "2022-09-04T14:36:49.779153Z",
"structure_string": "Li3 Ti2 Mn3 O10\n1.0\n4.983547 -0.100932 -0.078824\n0.896132 5.126522 0.015799\n2.079359 1.540059 7.241780\nLi Ti Mn O\n3 2 3 10\ndirect\n0.508630 0.761164 0.401739 Li\n-0.000000 0.500000 0.500000 Li\n0.491370 0.238836 0.598261 Li\n0.031577 0.878427 0.683954 Ti\n0.968423 0.121573 0.316047 Ti\n0.500000 0.000000 0.000000 Mn\n0.990723 0.314173 0.893134 Mn\n0.009278 0.685827 0.106867 Mn\n0.213622 0.125129 0.473617 O\n0.745784 0.192234 0.784985 O\n0.767248 0.432257 0.354308 O\n0.232753 0.567743 0.645692 O\n0.240255 0.002523 0.847156 O\n0.786379 0.874871 0.526383 O\n0.807672 0.658242 0.927337 O\n0.192329 0.341757 0.072664 O\n0.254216 0.807766 0.215015 O\n0.759746 -0.002523 0.152845 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 3.934489005558393,
"density_atomic": 0.0966303872484169,
"volume": 186.27680704337544,
"volume_molar": 6.232139735214258,
"formula_full": "Li3 Ti2 Mn3 O10",
"formula_reduced": "Li3Ti2Mn3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 3.1187551883780333,
"spacegroup": 2
},
{
"id": "jvasp-43172",
"created_at": "2022-09-04T14:36:57.786717Z",
"updated_at": "2022-09-04T14:36:57.786743Z",
"structure_string": "Li4 Ti2 Mn2 O8\n1.0\n5.778542 -0.135897 -0.019753\n0.216079 5.776099 -0.019753\n-3.013614 -2.835441 4.134976\nLi Ti Mn O\n4 2 2 8\ndirect\n0.000001 0.500001 0.500001 Li\n0.500001 0.500001 0.500001 Li\n0.500000 -0.000000 0.000000 Li\n0.500000 0.500000 0.000001 Li\n0.000001 0.000000 0.500001 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Mn\n0.500001 0.000000 0.500001 Mn\n0.248702 0.751240 0.013224 O\n0.243014 0.240331 0.491700 O\n0.248762 0.751299 0.486778 O\n0.759670 0.756986 0.008302 O\n0.240332 0.243015 0.991701 O\n0.751240 0.248702 0.513224 O\n0.756986 0.759670 0.508303 O\n0.751300 0.248761 0.986779 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 4.364992390097095,
"density_atomic": 0.11638664081755316,
"volume": 137.47282237556354,
"volume_molar": 5.174254293875758,
"formula_full": "Li4 Ti2 Mn2 O8",
"formula_reduced": "Li2TiMnO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.4770711968390806,
"spacegroup": 74
},
{
"id": "jvasp-122115",
"created_at": "2022-09-04T14:38:55.468256Z",
"updated_at": "2022-09-04T14:38:55.468280Z",
"structure_string": "Li2 Mn4 Te2 O12\n1.0\n4.940280 0.183509 -0.139496\n0.070284 5.155005 -0.011589\n0.090950 -0.018758 8.557564\nLi Mn Te O\n2 4 2 12\ndirect\n0.515120 0.498562 0.909154 Li\n0.566488 0.902871 0.198509 Li\n0.505179 0.989278 0.673541 Mn\n0.021724 -0.002899 0.368024 Mn\n0.015539 0.496323 0.779573 Mn\n0.005039 0.503808 0.185299 Mn\n0.514866 0.481601 0.479611 Te\n0.014219 0.005003 0.987392 Te\n0.254796 0.822408 0.823078 O\n0.813059 0.185284 0.191580 O\n0.314437 0.320845 0.660910 O\n0.778723 0.687913 0.028554 O\n0.753742 0.172736 0.835123 O\n0.218849 0.291373 0.328963 O\n0.275097 0.856578 0.515887 O\n0.708419 0.667598 0.667721 O\n0.811636 0.697346 0.338910 O\n0.214203 0.800124 0.205225 O\n0.193365 0.364366 0.000680 O\n0.755096 0.146469 0.516755 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Te",
"O"
],
"chemical_system": "Li-Mn-O-Te",
"density": 5.188559831696983,
"density_atomic": 0.09178906998943893,
"volume": 217.8908665519888,
"volume_molar": 6.560847343472262,
"formula_full": "Li2 Mn4 Te2 O12",
"formula_reduced": "LiMn2TeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": null,
"spacegroup": 1
},
{
"id": "jvasp-43006",
"created_at": "2022-09-04T14:35:53.327058Z",
"updated_at": "2022-09-04T14:35:53.327084Z",
"structure_string": "Li2 Mn3 Te1 O8\n1.0\n6.240903 0.262859 0.185869\n3.348093 5.273351 0.185869\n3.348093 1.933023 4.909806\nLi Mn Te O\n2 3 1 8\ndirect\n0.115523 0.115523 0.115523 Li\n0.884476 0.884476 0.884478 Li\n-0.000000 0.499999 0.500001 Mn\n0.499999 -0.000000 0.500001 Mn\n0.499999 0.500000 0.000000 Mn\n0.499999 0.500000 0.500001 Te\n0.268940 0.268940 0.268941 O\n0.248364 0.248364 0.715896 O\n0.248364 0.715894 0.248365 O\n0.715894 0.248364 0.248365 O\n0.284104 0.751635 0.751637 O\n0.751635 0.284105 0.751637 O\n0.751635 0.751635 0.284106 O\n0.731059 0.731059 0.731061 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Te",
"O"
],
"chemical_system": "Li-Mn-O-Te",
"density": 4.710197895360742,
"density_atomic": 0.09144014959536066,
"volume": 153.10561128730163,
"volume_molar": 6.585882445128394,
"formula_full": "Li2 Mn3 Te1 O8",
"formula_reduced": "Li2Mn3TeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.904950535057472,
"spacegroup": 166
},
{
"id": "jvasp-119357",
"created_at": "2022-09-04T14:38:50.674880Z",
"updated_at": "2022-09-04T14:38:50.674903Z",
"structure_string": "Li2 Mn3 Te1 O8\n1.0\n5.213517 0.123511 3.392153\n1.902529 4.856089 3.391838\n0.175944 0.123868 6.216235\nLi Mn Te O\n2 3 1 8\ndirect\n0.118297 0.118278 0.118328 Li\n0.881702 0.881723 0.881671 Li\n-0.000001 0.500001 0.499999 Mn\n0.500000 -0.000000 0.499999 Mn\n0.500002 0.499999 -0.000002 Mn\n0.500001 0.500001 0.500000 Te\n0.267923 0.267933 0.267926 O\n0.247902 0.247909 0.716833 O\n0.247862 0.716806 0.247869 O\n0.716810 0.247855 0.247872 O\n0.283189 0.752146 0.752128 O\n0.752137 0.283196 0.752130 O\n0.752098 0.752091 0.283167 O\n0.732075 0.732067 0.732074 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Te",
"O"
],
"chemical_system": "Li-Mn-O-Te",
"density": 4.753777400991895,
"density_atomic": 0.09228616851064435,
"volume": 151.70203970907332,
"volume_molar": 6.525507405051064,
"formula_full": "Li2 Mn3 Te1 O8",
"formula_reduced": "Li2Mn3TeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.9037183922003287,
"spacegroup": 166
},
{
"id": "jvasp-117404",
"created_at": "2022-09-04T14:38:26.505068Z",
"updated_at": "2022-09-04T14:38:26.505090Z",
"structure_string": "Li4 Mn6 Te2 O16\n1.0\n5.527278 0.061799 1.648279\n-3.035501 4.999880 0.020186\n-0.329229 -0.260882 11.413485\nLi Mn Te O\n4 6 2 16\ndirect\n0.884722 0.940325 0.165240 Li\n0.902634 0.433908 0.652927 Li\n0.097377 0.566096 0.347061 Li\n0.115276 0.059674 0.834767 Li\n0.000003 0.500000 0.000001 Mn\n-0.000001 0.000000 0.499999 Mn\n0.499999 0.000002 0.500000 Mn\n0.500001 0.500000 0.499999 Mn\n0.499998 0.500000 0.000001 Mn\n0.499998 -0.000003 0.000001 Mn\n0.513993 0.740913 0.750165 Te\n0.486009 0.259090 0.249836 Te\n0.289914 0.606256 0.630778 O\n0.209126 0.364068 0.424855 O\n0.285207 0.864318 0.850468 O\n0.710086 0.393744 0.369222 O\n0.721659 0.857323 0.914373 O\n0.278342 0.142677 0.085629 O\n0.714795 0.135682 0.149533 O\n0.731762 0.361009 0.911884 O\n0.744838 0.601520 0.105204 O\n0.736962 0.083246 0.610547 O\n0.279392 0.136747 0.588832 O\n0.268238 0.638991 0.088119 O\n0.255164 0.398482 0.894798 O\n0.720608 0.863254 0.411165 O\n0.790874 0.635936 0.575143 O\n0.263037 0.916753 0.389450 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Te",
"O"
],
"chemical_system": "Li-Mn-O-Te",
"density": 4.484696817563974,
"density_atomic": 0.08706244556981202,
"volume": 321.6082412657232,
"volume_molar": 6.917036065993664,
"formula_full": "Li4 Mn6 Te2 O16",
"formula_reduced": "Li2Mn3TeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.9021955350574715,
"spacegroup": 2
}
]
}