HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=10366",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=10364",
"results": [
{
"id": "mp-1174177",
"created_at": "2022-09-04T14:40:42.155597Z",
"structure_string": "Li5 Co3 O8\n1.0\n4.874328 -0.072407 1.068714\n1.210823 4.975661 2.722250\n0.245131 0.095924 5.911917\nLi Co O\n5 3 8\ndirect\n0.500000 0.250000 0.250000 Li\n0.010332 0.496505 0.999861 Li\n0.989668 0.003495 0.500139 Li\n0.500000 0.750000 0.750000 Li\n0.500000 0.250000 0.750000 Li\n0.998821 0.004037 0.990957 Co\n0.001179 0.495963 0.509043 Co\n0.500000 0.750000 0.250000 Co\n0.774941 0.352481 0.880863 O\n0.234677 0.619181 0.600020 O\n0.238519 0.097578 0.120056 O\n0.752892 0.853858 0.385184 O\n0.225059 0.147519 0.619137 O\n0.761481 0.402422 0.379944 O\n0.765323 0.880819 0.899980 O\n0.247108 0.646142 0.114816 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 3.9869483660321516,
"density_atomic": 0.11315454245201341,
"volume": 141.39953777626985,
"volume_molar": 5.322049499297715,
"formula_full": "Li5 Co3 O8",
"formula_reduced": "Li5Co3O8",
"formula_anonymous": "A3B5C8",
"energy": -97.62703582,
"energy_per_atom": -6.10168973875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.21703582,
"band_gap": 0.1434999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999943,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.044000Z",
"spacegroup": 2
},
{
"id": "mp-1174777",
"created_at": "2022-09-04T14:40:37.030121Z",
"structure_string": "Li5 Mn3 O8\n1.0\n2.966606 0.000000 0.000000\n0.160249 5.112459 0.000000\n0.274375 1.909444 9.686132\nLi Mn O\n5 3 8\ndirect\n0.005486 0.781465 0.722623 Li\n0.515551 0.748226 0.272350 Li\n0.484449 0.251774 0.727650 Li\n0.994514 0.218535 0.277377 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.456639 0.856036 0.886400 O\n0.999312 0.844918 0.381485 O\n0.014922 0.372677 0.892884 O\n0.511450 0.387522 0.390022 O\n0.488550 0.612478 0.609978 O\n0.985078 0.627323 0.107116 O\n0.000688 0.155082 0.618515 O\n0.543361 0.143964 0.113600 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.7020247572891556,
"density_atomic": 0.10891304256641834,
"volume": 146.9061888546795,
"volume_molar": 5.529310923737644,
"formula_full": "Li5 Mn3 O8",
"formula_reduced": "Li5Mn3O8",
"formula_anonymous": "A3B5C8",
"energy": -109.81392634,
"energy_per_atom": -6.86337039625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.31392634,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0022997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.455000Z",
"spacegroup": 2
},
{
"id": "mp-1284734",
"created_at": "2022-09-04T14:41:09.128630Z",
"structure_string": "Li10 Mn6 O16\n1.0\n4.994161 -0.115900 0.287227\n-1.740500 4.657514 6.132291\n1.307656 -5.046573 5.706013\nLi Mn O\n10 6 16\ndirect\n0.016370 0.386994 0.875571 Li\n0.017088 0.887378 0.375526 Li\n0.992763 0.624351 0.125494 Li\n0.992718 0.124344 0.625444 Li\n0.502466 0.128337 0.121117 Li\n0.502750 0.628293 0.621167 Li\n0.502150 0.494710 0.992100 Li\n0.502451 0.994539 0.492316 Li\n0.501775 0.259230 0.760242 Li\n0.502421 0.759467 0.260457 Li\n0.498057 0.869299 0.876363 Mn\n0.003040 0.004065 0.002681 Mn\n0.002098 0.747761 0.744649 Mn\n0.497649 0.369026 0.376150 Mn\n0.003230 0.504039 0.502718 Mn\n0.001257 0.247610 0.244654 Mn\n0.234906 0.259873 0.011739 O\n0.235255 0.759908 0.511666 O\n0.787225 0.516861 0.742564 O\n0.787008 0.016742 0.242569 O\n0.236671 0.477537 0.266127 O\n0.237080 0.977749 0.766097 O\n0.735608 0.745828 0.981162 O\n0.734675 0.245266 0.481022 O\n0.735660 0.593026 0.380244 O\n0.735724 0.093196 0.880255 O\n0.750756 0.366489 0.145522 O\n0.751012 0.866561 0.645674 O\n0.248308 0.649064 0.867611 O\n0.247936 0.149000 0.367555 O\n0.251940 0.876763 0.106784 O\n0.251955 0.376692 0.606761 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.803525920984483,
"density_atomic": 0.1118991923862767,
"volume": 285.9716796662464,
"volume_molar": 5.381755338511768,
"formula_full": "Li10 Mn6 O16",
"formula_reduced": "Li5Mn3O8",
"formula_anonymous": "A3B5C8",
"energy": -222.03141392,
"energy_per_atom": -6.938481685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -201.03141392,
"band_gap": 1.1887,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.026000Z",
"spacegroup": 1
},
{
"id": "mp-1174554",
"created_at": "2022-09-04T14:40:58.939426Z",
"structure_string": "Li10 Mn6 O16\n1.0\n5.753452 0.002973 -0.001605\n-2.875348 4.267409 2.934717\n2.872077 -4.301374 8.661037\nLi Mn O\n10 6 16\ndirect\n0.999997 0.249964 0.249990 Li\n0.999989 0.749954 0.749987 Li\n0.499995 0.250021 0.250010 Li\n0.499985 0.750007 0.750017 Li\n0.500010 0.999988 0.999974 Li\n0.500019 0.499997 0.499971 Li\n0.999998 0.250063 0.749963 Li\n0.999976 0.750062 0.249984 Li\n0.500096 0.250043 0.749966 Li\n0.500084 0.750043 0.249988 Li\n0.000198 0.500208 0.499698 Mn\n0.999885 0.000069 0.500145 Mn\n0.499911 0.999866 0.500053 Mn\n0.000144 0.000069 0.000031 Mn\n0.999773 0.499831 0.000037 Mn\n0.500001 0.499932 0.000161 Mn\n0.750872 0.387191 0.885571 O\n0.750763 0.887199 0.385592 O\n0.249093 0.612750 0.114462 O\n0.249085 0.112781 0.614467 O\n0.260932 0.401536 0.880180 O\n0.260906 0.901569 0.380157 O\n0.739096 0.598522 0.119901 O\n0.739092 0.098545 0.619879 O\n0.737225 0.846700 0.893152 O\n0.737217 0.346760 0.393041 O\n0.214403 0.846245 0.893076 O\n0.214581 0.346320 0.392988 O\n0.262739 0.153143 0.106967 O\n0.262744 0.653210 0.606796 O\n0.785563 0.153686 0.106929 O\n0.785625 0.653727 0.606869 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.8114756291591143,
"density_atomic": 0.1121330716716892,
"volume": 285.37522002154515,
"volume_molar": 5.37053045120536,
"formula_full": "Li10 Mn6 O16",
"formula_reduced": "Li5Mn3O8",
"formula_anonymous": "A3B5C8",
"energy": -221.60152922,
"energy_per_atom": -6.925047788125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -200.60152922,
"band_gap": 0.6528999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.862000Z",
"spacegroup": 12
},
{
"id": "mp-1174051",
"created_at": "2022-09-04T14:45:21.104918Z",
"structure_string": "Li5 Co3 O8\n1.0\n2.985012 0.000000 0.000000\n0.000000 5.001064 0.000000\n0.000000 2.198258 9.453816\nLi Co O\n5 3 8\ndirect\n0.500000 0.753997 0.748444 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.246003 0.251556 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.244137 0.760678 Co\n0.000000 0.755863 0.239322 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.369420 0.865762 O\n0.000000 0.590973 0.629048 O\n0.500000 0.855054 0.377070 O\n0.000000 0.087621 0.138896 O\n0.500000 0.144946 0.622930 O\n0.000000 0.409027 0.370952 O\n0.500000 0.630580 0.134238 O\n0.000000 0.912379 0.861104 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 3.99459691209751,
"density_atomic": 0.11337161768123441,
"volume": 141.12879684743498,
"volume_molar": 5.31185924940436,
"formula_full": "Li5 Co3 O8",
"formula_reduced": "Li5Co3O8",
"formula_anonymous": "A3B5C8",
"energy": -97.25064707,
"energy_per_atom": -6.078165441875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.84064707,
"band_gap": 0.1463999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0004302,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.671000Z",
"spacegroup": 10
},
{
"id": "mp-1174039",
"created_at": "2022-09-04T14:44:01.993757Z",
"structure_string": "Li5 Co3 O8\n1.0\n1.492067 4.915853 0.000000\n-1.492067 4.915853 0.000000\n0.000000 2.148550 9.611302\nLi Co O\n5 3 8\ndirect\n0.244903 0.244903 0.874123 Li\n0.755097 0.755097 0.125877 Li\n0.253860 0.253860 0.373170 Li\n0.746140 0.746140 0.626830 Li\n0.500000 0.500000 0.000000 Li\n0.998479 0.998479 0.760879 Co\n0.001521 0.001521 0.239121 Co\n0.500000 0.500000 0.500000 Co\n0.384506 0.384506 0.680890 O\n0.880721 0.880721 0.919577 O\n0.387857 0.387857 0.191523 O\n0.889612 0.889612 0.425922 O\n0.119279 0.119279 0.080423 O\n0.615494 0.615494 0.319110 O\n0.110388 0.110388 0.574078 O\n0.612143 0.612143 0.808477 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 3.9984269777396344,
"density_atomic": 0.11348031969728964,
"volume": 140.99361054568956,
"volume_molar": 5.306771056042268,
"formula_full": "Li5 Co3 O8",
"formula_reduced": "Li5Co3O8",
"formula_anonymous": "A3B5C8",
"energy": -97.31305803,
"energy_per_atom": -6.082066126875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.90305803,
"band_gap": 0.1318000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0004034,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.158000Z",
"spacegroup": 12
},
{
"id": "mp-680561",
"created_at": "2022-09-04T14:43:54.763225Z",
"structure_string": "U10 Re6 C16\n1.0\n11.374517 0.000000 0.000000\n0.000000 11.374517 0.000000\n0.000000 0.000000 3.259419\nU Re C\n10 6 16\ndirect\n0.000000 0.500000 0.000000 U\n0.272104 0.543123 0.500000 U\n0.727896 0.456877 0.500000 U\n0.543123 0.727896 0.500000 U\n0.772104 0.956877 0.500000 U\n0.227896 0.043123 0.500000 U\n0.956877 0.227896 0.500000 U\n0.456877 0.272104 0.500000 U\n0.500000 0.000000 0.000000 U\n0.043123 0.772104 0.500000 U\n0.203041 0.296959 0.000000 Re\n0.703041 0.203041 0.000000 Re\n0.296959 0.796959 0.000000 Re\n0.500000 0.500000 0.000000 Re\n0.796959 0.703041 0.000000 Re\n0.000000 0.000000 0.000000 Re\n0.347569 0.402642 0.000000 C\n0.616276 0.116276 0.500000 C\n0.902642 0.847569 0.000000 C\n0.653377 0.846623 0.000000 C\n0.346623 0.153377 0.000000 C\n0.116276 0.383724 0.500000 C\n0.152431 0.902642 0.000000 C\n0.846623 0.346623 0.000000 C\n0.652431 0.597358 0.000000 C\n0.597358 0.347569 0.000000 C\n0.883724 0.616276 0.500000 C\n0.847569 0.097358 0.000000 C\n0.383724 0.883724 0.500000 C\n0.153377 0.653377 0.000000 C\n0.097358 0.152431 0.000000 C\n0.402642 0.652431 0.000000 C\n",
"nsites": 32,
"nelements": 3,
"elements": [
"U",
"Re",
"C"
],
"chemical_system": "C-Re-U",
"density": 14.528952480386412,
"density_atomic": 0.07588288905582406,
"volume": 421.70244699643496,
"volume_molar": 7.936098420778033,
"formula_full": "U10 Re6 C16",
"formula_reduced": "U5Re3C8",
"formula_anonymous": "A3B5C8",
"energy": -340.98913371,
"energy_per_atom": -10.6559104284375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -340.98913371,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9564715,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.303000Z",
"spacegroup": 127
},
{
"id": "mp-1174761",
"created_at": "2022-09-04T14:45:30.858849Z",
"structure_string": "Li10 Mn6 O16\n1.0\n0.129003 -0.024897 5.073331\n1.694132 10.046801 -2.529369\n-5.697984 -0.128607 -1.328444\nLi Mn O\n10 6 16\ndirect\n0.749967 0.749997 0.624690 Li\n0.750004 0.749990 0.125291 Li\n0.637051 0.123244 0.192298 Li\n0.637096 0.123245 0.692169 Li\n0.862929 0.376753 0.557756 Li\n0.862925 0.376791 0.057774 Li\n0.138017 0.640425 0.452855 Li\n0.138114 0.640323 0.953206 Li\n0.361929 0.859689 0.796826 Li\n0.362032 0.859569 0.297126 Li\n0.249848 0.249964 0.374913 Mn\n0.250075 0.250013 0.875100 Mn\n0.998901 0.989595 0.992860 Mn\n0.999577 0.989797 0.492876 Mn\n0.500397 0.510193 0.257184 Mn\n0.501115 0.510436 0.757113 Mn\n0.281147 0.060267 0.324207 O\n0.280438 0.060070 0.823425 O\n0.218821 0.439738 0.425781 O\n0.219589 0.439918 0.926579 O\n0.546867 0.317743 0.232946 O\n0.547053 0.317699 0.734159 O\n0.953113 0.182251 0.517070 O\n0.952903 0.182301 0.015814 O\n0.768272 0.554190 0.576054 O\n0.768047 0.554288 0.075745 O\n0.731969 0.945707 0.674244 O\n0.731734 0.945802 0.173956 O\n0.069090 0.827743 0.474123 O\n0.069336 0.828020 0.974325 O\n0.430695 0.672000 0.775673 O\n0.430948 0.672237 0.275863 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.7879634613486104,
"density_atomic": 0.11144134703410213,
"volume": 287.14656500165677,
"volume_molar": 5.403865728720208,
"formula_full": "Li10 Mn6 O16",
"formula_reduced": "Li5Mn3O8",
"formula_anonymous": "A3B5C8",
"energy": -220.97588107,
"energy_per_atom": -6.9054962834375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -199.97588107,
"band_gap": 0.8939000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0071974,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.685000Z",
"spacegroup": 2
},
{
"id": "mp-1297800",
"created_at": "2022-09-04T14:42:24.249373Z",
"structure_string": "Li10 Mn6 O16\n1.0\n-1.677156 4.851578 2.964435\n1.724683 -4.719874 8.705464\n3.426818 4.768485 0.067503\nLi Mn O\n10 6 16\ndirect\n0.749830 0.249939 0.499581 Li\n0.250730 0.749919 0.499426 Li\n0.512017 0.999941 0.999571 Li\n0.988366 0.499869 0.999484 Li\n0.244667 0.252521 0.504005 Li\n0.751442 0.752541 0.504124 Li\n0.520681 0.006385 0.506179 Li\n0.977927 0.493658 0.495276 Li\n0.026620 0.993689 0.495338 Li\n0.473293 0.506410 0.506028 Li\n0.486689 0.499174 0.999487 Mn\n0.250561 0.750026 0.999797 Mn\n0.751005 0.750376 0.000879 Mn\n0.013555 0.999174 0.999671 Mn\n0.747805 0.250395 0.001584 Mn\n0.249621 0.249967 0.999785 Mn\n0.348429 0.380203 0.239586 O\n0.911721 0.880212 0.239620 O\n0.150705 0.119280 0.761539 O\n0.587869 0.619283 0.761699 O\n0.894519 0.357566 0.212452 O\n0.392849 0.857554 0.212424 O\n0.131677 0.125544 0.223401 O\n0.611571 0.618005 0.217245 O\n0.670909 0.118034 0.217391 O\n0.144634 0.625646 0.223577 O\n0.604533 0.142506 0.787480 O\n0.108212 0.642563 0.787646 O\n0.367804 0.373857 0.774511 O\n0.889143 0.881005 0.778504 O\n0.832667 0.381002 0.778329 O\n0.357948 0.873755 0.774382 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.794512336012801,
"density_atomic": 0.11163401399659578,
"volume": 286.6509843583679,
"volume_molar": 5.39453930249578,
"formula_full": "Li10 Mn6 O16",
"formula_reduced": "Li5Mn3O8",
"formula_anonymous": "A3B5C8",
"energy": -221.70535639,
"energy_per_atom": -6.9282923871875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -200.70535639,
"band_gap": 1.1807000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0012526,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.919000Z",
"spacegroup": 15
},
{
"id": "mp-1174143",
"created_at": "2022-09-04T14:44:17.655782Z",
"structure_string": "Li5 Co3 O8\n1.0\n2.981416 0.000000 0.000000\n-1.322598 4.908182 0.000000\n-0.230712 -2.099485 9.650803\nLi Co O\n5 3 8\ndirect\n0.753435 0.496405 0.873578 Li\n0.246565 0.503595 0.126422 Li\n0.751144 0.508436 0.374435 Li\n0.248856 0.491564 0.625565 Li\n0.500000 0.000000 0.500000 Li\n0.001571 0.999150 0.740346 Co\n0.998429 0.000850 0.259654 Co\n0.500000 0.000000 0.000000 Co\n0.354920 0.771596 0.818063 O\n0.894279 0.775800 0.073150 O\n0.357673 0.772603 0.308011 O\n0.881316 0.763200 0.581351 O\n0.105721 0.224200 0.926850 O\n0.645080 0.228404 0.181937 O\n0.118684 0.236800 0.418649 O\n0.642327 0.227397 0.691989 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 3.9919207818891844,
"density_atomic": 0.11329566578483038,
"volume": 141.2234077019944,
"volume_molar": 5.315420248676741,
"formula_full": "Li5 Co3 O8",
"formula_reduced": "Li5Co3O8",
"formula_anonymous": "A3B5C8",
"energy": -97.29849635,
"energy_per_atom": -6.081156021875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.88849635,
"band_gap": 0.3441999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.999044,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.170000Z",
"spacegroup": 2
},
{
"id": "mp-1174553",
"created_at": "2022-09-04T14:43:12.638054Z",
"structure_string": "Li5 Mn3 O8\n1.0\n2.978539 -0.000000 -0.000000\n-1.489270 2.569885 0.222404\n-0.000000 0.029132 19.608418\nLi Mn O\n5 3 8\ndirect\n0.880374 0.760748 0.358877 Li\n0.124754 0.249507 0.625739 Li\n0.375246 0.750493 0.874261 Li\n0.619626 0.239252 0.141123 Li\n0.250000 0.500000 0.250000 Li\n0.000031 0.000062 0.999907 Mn\n0.499969 0.999938 0.500093 Mn\n0.750000 0.500000 0.750000 Mn\n0.814214 0.628428 0.557358 O\n0.064075 0.128149 0.807776 O\n0.316381 0.632762 0.050857 O\n0.562195 0.124390 0.313415 O\n0.937805 0.875610 0.186585 O\n0.183619 0.367238 0.449143 O\n0.435925 0.871851 0.692224 O\n0.685786 0.371572 0.942642 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.623895928569259,
"density_atomic": 0.10661450352199944,
"volume": 150.0733903122146,
"volume_molar": 5.648519254941104,
"formula_full": "Li5 Mn3 O8",
"formula_reduced": "Li5Mn3O8",
"formula_anonymous": "A3B5C8",
"energy": -107.03463163,
"energy_per_atom": -6.689664476875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.53463163,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.4795371,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.843000Z",
"spacegroup": 166
},
{
"id": "mp-1174737",
"created_at": "2022-09-04T14:42:56.578831Z",
"structure_string": "Li5 Mn3 O8\n1.0\n5.054441 0.000000 0.000000\n1.647111 5.532270 0.000000\n1.609705 2.526031 5.100280\nLi Mn O\n5 3 8\ndirect\n0.506013 0.753214 0.250149 Li\n0.490730 0.763364 0.738726 Li\n0.493987 0.246786 0.749851 Li\n0.509270 0.236636 0.261274 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.775928 0.861827 0.888847 O\n0.779716 0.867349 0.352593 O\n0.780538 0.391681 0.351276 O\n0.765333 0.356484 0.903522 O\n0.219462 0.608319 0.648724 O\n0.234667 0.643516 0.096478 O\n0.224072 0.138173 0.111153 O\n0.220284 0.132651 0.647407 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.813369536834703,
"density_atomic": 0.11218879016651617,
"volume": 142.61674429550408,
"volume_molar": 5.3678631805028285,
"formula_full": "Li5 Mn3 O8",
"formula_reduced": "Li5Mn3O8",
"formula_anonymous": "A3B5C8",
"energy": -110.90735677,
"energy_per_atom": -6.931709798125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.40735677,
"band_gap": 0.827,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.000371,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.854000Z",
"spacegroup": 2
}
]
}