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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10193",
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"results": [
{
"id": "mp-1175551",
"created_at": "2022-09-04T14:39:44.705177Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.908113 0.000000 0.000000\n2.600360 5.905577 0.000000\n0.114296 0.135457 8.105640\nLi Mn Co O\n9 2 5 16\ndirect\n0.750820 0.503064 0.005154 Li\n0.133506 0.245983 0.251388 Li\n0.373478 0.751660 0.748652 Li\n0.016712 0.994419 0.495513 Li\n0.618374 0.252449 0.248747 Li\n0.246831 0.504504 0.008544 Li\n0.875169 0.748256 0.751005 Li\n0.488586 0.995079 0.490853 Li\n0.374177 0.751709 0.251425 Li\n0.006319 0.995523 0.000170 Mn\n0.250383 0.503302 0.496747 Mn\n0.740764 0.507634 0.497684 Co\n0.124592 0.249337 0.749928 Co\n0.502839 0.996967 0.003938 Co\n0.877971 0.749943 0.249621 Co\n0.623455 0.250206 0.749744 Co\n0.112387 0.242880 0.988342 O\n0.504074 0.994437 0.231914 O\n0.739888 0.485652 0.734241 O\n0.368736 0.736186 0.502721 O\n0.987167 0.989311 0.236437 O\n0.653335 0.221790 0.989238 O\n0.240262 0.486182 0.741428 O\n0.899970 0.724599 0.493606 O\n0.347403 0.783742 0.997560 O\n0.763484 0.514408 0.267047 O\n0.003197 0.013667 0.758804 O\n0.595722 0.279245 0.508515 O\n0.252742 0.498852 0.265491 O\n0.886959 0.756529 0.006752 O\n0.509439 0.014260 0.764698 O\n0.131260 0.258227 0.514094 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.24511865703247,
"density_atomic": 0.11314921296049682,
"volume": 282.81239579785665,
"volume_molar": 5.322300175523516,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.80167573,
"energy_per_atom": -6.5250523665625,
"energy_above_hull": null,
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"energy_uncorrected": -186.28367573,
"band_gap": 1.0027999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000126,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.711000Z",
"spacegroup": 1
},
{
"id": "mp-1174162",
"created_at": "2022-09-04T14:48:30.758912Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.970755 0.000000 0.000000\n-0.377879 5.964570 0.000000\n-1.244884 -1.388473 10.135841\nLi Mn Co O\n6 2 2 10\ndirect\n0.996466 0.501081 0.997634 Li\n0.606339 0.310186 0.209982 Li\n0.397391 0.696711 0.795612 Li\n0.795405 0.891451 0.592611 Li\n0.207384 0.089701 0.406063 Li\n0.193361 0.612097 0.406055 Li\n0.005391 0.999973 0.996411 Mn\n0.609741 0.794016 0.207992 Mn\n0.790227 0.406392 0.590914 Co\n0.397317 0.201587 0.796455 Co\n0.466704 0.243191 0.991227 O\n0.122878 0.021087 0.194425 O\n0.862433 0.431657 0.784035 O\n0.268652 0.628491 0.601414 O\n0.688818 0.848891 0.386865 O\n0.540778 0.761191 0.007936 O\n0.083031 0.579336 0.201189 O\n0.928085 0.965891 0.803992 O\n0.329716 0.167208 0.609751 O\n0.709882 0.349862 0.419437 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.969973901660192,
"density_atomic": 0.11135871988808708,
"volume": 179.5997656950397,
"volume_molar": 5.407875347392743,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy": -131.38518032000002,
"energy_per_atom": -6.569259016000001,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -117.90318032,
"band_gap": 0.2757,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:59.937000Z",
"spacegroup": 1
},
{
"id": "mp-1175100",
"created_at": "2022-09-04T14:48:08.021885Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n1.442854 7.693932 0.000000\n-1.442854 7.693932 0.000000\n0.000000 1.631862 9.686135\nLi Mn Co O\n7 2 3 12\ndirect\n0.593063 0.593063 0.732754 Li\n0.738280 0.738280 0.271016 Li\n0.915632 0.915632 0.740489 Li\n0.254934 0.254934 0.744130 Li\n0.413358 0.413358 0.256517 Li\n0.085817 0.085817 0.261790 Li\n0.165660 0.165660 0.498054 Li\n0.000032 0.000032 0.999283 Mn\n0.503885 0.503885 0.494695 Mn\n0.330333 0.330333 0.999711 Co\n0.668589 0.668589 0.001124 Co\n0.820871 0.820871 0.507075 Co\n0.463169 0.463169 0.888532 O\n0.614045 0.614045 0.383918 O\n0.796880 0.796880 0.879461 O\n0.118716 0.118716 0.892999 O\n0.296088 0.296088 0.383112 O\n0.961661 0.961661 0.388555 O\n0.716983 0.716983 0.623733 O\n0.881958 0.881958 0.108357 O\n0.035686 0.035686 0.612002 O\n0.380526 0.380526 0.604993 O\n0.533930 0.533930 0.111612 O\n0.209905 0.209905 0.116089 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.071167311471714,
"density_atomic": 0.11159892133428954,
"volume": 215.05584205522095,
"volume_molar": 5.396235633820284,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -157.00829499,
"energy_per_atom": -6.54201229125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -140.51429499,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 10.0000137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.967000Z",
"spacegroup": 8
},
{
"id": "mp-1238486",
"created_at": "2022-09-04T14:43:39.724340Z",
"structure_string": "Mn2 H6 C10 N2 O12\n1.0\n4.083520 6.863281 0.000000\n-4.083520 6.863281 0.000000\n0.000000 4.588294 7.389156\nMn H C N O\n2 6 10 2 12\ndirect\n0.497350 0.999786 0.500217 Mn\n0.999786 0.497350 0.000217 Mn\n0.745186 0.654576 0.742871 H\n0.151543 0.851358 0.746981 H\n0.339831 0.255014 0.759435 H\n0.851358 0.151543 0.246981 H\n0.654576 0.745186 0.242871 H\n0.255014 0.339831 0.259435 H\n0.744030 0.792889 0.744057 C\n0.284976 0.715264 0.748832 C\n0.203167 0.255139 0.756922 C\n0.715264 0.284976 0.248832 C\n0.792889 0.744030 0.244057 C\n0.255139 0.203167 0.256922 C\n0.784517 0.306120 0.581214 C\n0.306120 0.784517 0.081214 C\n0.196663 0.674129 0.419115 C\n0.674129 0.196663 0.919115 C\n0.730543 0.251764 0.749941 N\n0.251764 0.730543 0.249941 N\n0.647687 0.962003 0.649503 O\n0.455747 0.733212 0.655412 O\n0.214137 0.163370 0.665855 O\n0.733212 0.455747 0.155412 O\n0.962003 0.647687 0.149503 O\n0.163370 0.214137 0.165855 O\n0.350737 0.034266 0.350006 O\n0.543377 0.263734 0.343540 O\n0.783152 0.833606 0.335150 O\n0.263734 0.543377 0.843540 O\n0.034266 0.350737 0.850006 O\n0.833606 0.783152 0.835150 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Mn",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-Mn-N-O",
"density": 1.8283435850695982,
"density_atomic": 0.0772607073255206,
"volume": 414.18207401564683,
"volume_molar": 7.794571093721761,
"formula_full": "Mn2 H6 C10 N2 O12",
"formula_reduced": "MnH3C5NO6",
"formula_anonymous": "ABC3D5E6",
"energy": -228.59017922,
"energy_per_atom": -7.143443100625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -216.28817922,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 10.0000139,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.970000Z",
"spacegroup": 9
},
{
"id": "mp-1175550",
"created_at": "2022-09-04T14:42:06.224045Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.713410 0.000000 0.000000\n-2.834199 -5.194671 0.000000\n-2.853417 1.254072 -9.621015\nLi Mn Co O\n9 2 5 16\ndirect\n0.500321 0.252836 0.246392 Li\n0.002077 0.752010 0.754705 Li\n0.993408 0.744987 0.246908 Li\n0.495047 0.246154 0.750134 Li\n0.504953 0.753846 0.249866 Li\n0.006592 0.255013 0.753092 Li\n0.997923 0.247990 0.245295 Li\n0.499679 0.747164 0.753608 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.250411 0.888800 0.115330 O\n0.749662 0.392161 0.616437 O\n0.780504 0.393188 0.111247 O\n0.265136 0.892146 0.616642 O\n0.214781 0.341819 0.106208 O\n0.741043 0.879938 0.611717 O\n0.744256 0.891900 0.111447 O\n0.239312 0.377242 0.619431 O\n0.760688 0.622758 0.380569 O\n0.255744 0.108100 0.888553 O\n0.258957 0.120062 0.388283 O\n0.785219 0.658181 0.893792 O\n0.734864 0.107854 0.383358 O\n0.219496 0.606812 0.888753 O\n0.250338 0.607839 0.383563 O\n0.749589 0.111200 0.884670 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.20449601628209,
"density_atomic": 0.11206645881376219,
"volume": 285.54484846513486,
"volume_molar": 5.373722721093475,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.26478981,
"energy_per_atom": -6.5082746815625,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -185.74678981,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 10.0000142,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.880000Z",
"spacegroup": 2
},
{
"id": "mp-1227616",
"created_at": "2022-09-04T14:42:10.861475Z",
"structure_string": "Ca4 Nd4 Mn2 Ni2 O16\n1.0\n3.869602 -3.872851 0.000000\n3.869602 3.872851 0.000000\n0.000000 0.000000 11.930686\nCa Nd Mn Ni O\n4 4 2 2 16\ndirect\n0.486492 0.513508 0.863768 Ca\n0.013508 0.986492 0.863768 Ca\n0.513508 0.486492 0.136232 Ca\n0.986492 0.013508 0.136232 Ca\n0.984316 0.484316 0.645357 Nd\n0.515684 0.015684 0.645357 Nd\n0.015684 0.515684 0.354643 Nd\n0.484316 0.984316 0.354643 Nd\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.545355 0.454645 0.677671 O\n0.954645 0.045355 0.677671 O\n0.036620 0.536620 0.835550 O\n0.463380 0.963380 0.835550 O\n0.454645 0.545355 0.322329 O\n0.045355 0.954645 0.322329 O\n0.963380 0.463380 0.164450 O\n0.536620 0.036620 0.164450 O\n0.750000 0.250000 0.473524 O\n0.250000 0.750000 0.022493 O\n0.250000 0.750000 0.526476 O\n0.750000 0.250000 0.977507 O\n0.750000 0.750000 0.500000 O\n0.250000 0.250000 0.000000 O\n0.250000 0.250000 0.500000 O\n0.750000 0.750000 0.000000 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Nd",
"Mn",
"Ni",
"O"
],
"chemical_system": "Ca-Mn-Nd-Ni-O",
"density": 5.667691822757143,
"density_atomic": 0.0783006797525949,
"volume": 357.5958738604958,
"volume_molar": 7.691045312796823,
"formula_full": "Ca4 Nd4 Mn2 Ni2 O16",
"formula_reduced": "Ca2Nd2MnNiO8",
"formula_anonymous": "ABC2D2E8",
"energy": -216.44300019,
"energy_per_atom": -7.730107149642857,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.216000Z",
"spacegroup": 67
},
{
"id": "mp-1078664",
"created_at": "2022-09-04T14:46:26.066539Z",
"structure_string": "Pr2 Mn2 Se2 O3\n1.0\n-2.085447 2.085447 9.538901\n2.085447 -2.085447 9.538901\n2.085447 2.085447 -9.538901\nPr Mn Se O\n2 2 2 3\ndirect\n0.310919 0.310919 0.000000 Pr\n0.689081 0.689081 0.000000 Pr\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.898539 0.898539 0.000000 Se\n0.101461 0.101461 0.000000 Se\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Pr",
"Mn",
"Se",
"O"
],
"chemical_system": "Mn-O-Pr-Se",
"density": 5.98012151191486,
"density_atomic": 0.05423577651622126,
"volume": 165.942124887033,
"volume_molar": 11.103631489813463,
"formula_full": "Pr2 Mn2 Se2 O3",
"formula_reduced": "Pr2Mn2Se2O3",
"formula_anonymous": "A2B2C2D3",
"energy": -71.86705527,
"energy_per_atom": -7.9852283633333325,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -65.52605527,
"band_gap": 0.5564999999999998,
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"is_magnetic": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.602000Z",
"spacegroup": 139
},
{
"id": "mp-1174208",
"created_at": "2022-09-04T14:45:42.179295Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n-2.979911 0.000000 0.000000\n1.276592 4.937186 0.000000\n-0.230471 -2.347393 -12.281027\nLi Mn Co O\n6 2 2 10\ndirect\n0.299375 0.599614 0.103514 Li\n0.905314 0.798760 0.302010 Li\n0.497014 0.989021 0.501806 Li\n0.071660 0.185534 0.689385 Li\n0.714256 0.414400 0.901941 Li\n0.818612 0.616351 0.598092 Li\n0.994627 0.995370 0.001822 Mn\n0.392632 0.797433 0.792119 Mn\n0.606851 0.201301 0.205208 Co\n0.208761 0.407766 0.408247 Co\n0.677041 0.286703 0.056210 O\n0.236580 0.480138 0.259600 O\n0.866891 0.672538 0.444480 O\n0.455196 0.906761 0.660045 O\n0.008395 0.063306 0.849502 O\n0.963711 0.912726 0.148171 O\n0.529118 0.118558 0.346403 O\n0.149971 0.299938 0.532472 O\n0.784630 0.542478 0.754643 O\n0.319363 0.711304 0.944330 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9461714406544908,
"density_atomic": 0.11069105514936613,
"volume": 180.6830730180688,
"volume_molar": 5.440494493320841,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy": -131.46895093,
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"energy_above_hull": null,
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"energy_uncorrected": -117.98695093,
"band_gap": 0.2280999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.842000Z",
"spacegroup": 1
},
{
"id": "mp-1174556",
"created_at": "2022-09-04T14:44:50.155855Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n9.922624 2.591320 0.000000\n-9.922624 2.591320 0.000000\n0.000000 1.943758 4.795554\nLi Mn Co O\n8 2 4 14\ndirect\n0.857348 0.142652 0.500000 Li\n0.285425 0.714575 0.500000 Li\n0.714575 0.285425 0.500000 Li\n0.142652 0.857348 0.500000 Li\n0.570025 0.429975 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.429975 0.570025 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.927769 0.072231 0.000000 Mn\n0.072231 0.927769 0.000000 Mn\n0.357024 0.642976 0.000000 Co\n0.785444 0.214556 0.000000 Co\n0.214556 0.785444 0.000000 Co\n0.642976 0.357024 0.000000 Co\n0.629134 0.915312 0.232742 O\n0.059125 0.488685 0.224637 O\n0.488685 0.059125 0.224637 O\n0.915312 0.629134 0.232742 O\n0.319577 0.168312 0.212551 O\n0.780619 0.780619 0.235416 O\n0.168312 0.319577 0.212551 O\n0.084688 0.370866 0.767258 O\n0.511315 0.940875 0.775363 O\n0.940875 0.511315 0.775363 O\n0.370866 0.084688 0.767258 O\n0.831688 0.680423 0.787449 O\n0.219381 0.219381 0.764584 O\n0.680423 0.831688 0.787449 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.2092237534988115,
"density_atomic": 0.1135381119971433,
"volume": 246.61322535206946,
"volume_molar": 5.304069844099153,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -183.79277652,
"energy_per_atom": -6.564027732857142,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:45.020000Z",
"spacegroup": 12
},
{
"id": "mp-1541585",
"created_at": "2022-09-04T14:48:14.028069Z",
"structure_string": "Mn2 As2 O7\n1.0\n0.002730 -0.000309 -4.892398\n-3.337659 -4.472314 0.765476\n-3.337188 4.472022 0.766029\nMn As O\n2 2 7\ndirect\n0.503502 0.697276 0.305689 Mn\n0.503939 0.314023 0.688346 Mn\n0.907793 0.227158 0.231987 As\n0.100524 0.770244 0.775229 As\n0.712356 0.083983 0.403075 O\n0.719939 0.381161 0.064488 O\n0.288124 0.937705 0.620988 O\n0.295577 0.598884 0.918512 O\n0.225334 0.401974 0.391389 O\n0.781683 0.612586 0.601976 O\n0.006829 0.959206 0.045122 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
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],
"chemical_system": "As-Mn-O",
"density": 4.227014080093122,
"density_atomic": 0.07532984784928046,
"volume": 146.02445529969395,
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"formula_full": "Mn2 As2 O7",
"formula_reduced": "Mn2As2O7",
"formula_anonymous": "A2B2C7",
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"energy_uncorrected": -75.05377601,
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"updated_at": "2021-11-28T01:40:05.352000Z",
"spacegroup": 5
},
{
"id": "mp-1044024",
"created_at": "2022-09-04T14:46:04.226043Z",
"structure_string": "La2 Zn2 Fe2 Sn2 O12\n1.0\n5.653797 0.000000 0.000000\n0.000000 5.445022 0.000000\n0.000000 5.365362 7.948508\nLa Zn Fe Sn O\n2 2 2 2 12\ndirect\n0.290832 0.236412 0.750605 La\n0.709168 0.236412 0.250605 La\n0.781571 0.766513 0.755842 Zn\n0.218429 0.766513 0.255842 Zn\n0.755096 0.997584 0.002017 Fe\n0.244904 0.997584 0.502017 Fe\n0.757857 0.499334 0.502147 Sn\n0.242143 0.499334 0.002147 Sn\n0.278537 0.394079 0.250651 O\n0.442054 0.123381 0.063986 O\n0.447625 0.755039 0.438162 O\n0.552375 0.755039 0.938162 O\n0.557946 0.123381 0.563986 O\n0.721463 0.394079 0.750651 O\n0.796940 0.657122 0.246868 O\n0.983426 0.850219 0.430395 O\n0.961751 0.220318 0.059326 O\n0.038249 0.220318 0.559326 O\n0.016574 0.850219 0.930395 O\n0.203060 0.657122 0.746868 O\n",
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"nelements": 5,
"elements": [
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],
"chemical_system": "Fe-La-O-Sn-Zn",
"density": 6.445024672971948,
"density_atomic": 0.08173433436208613,
"volume": 244.69520864266488,
"volume_molar": 7.367944948718483,
"formula_full": "La2 Zn2 Fe2 Sn2 O12",
"formula_reduced": "LaZnFeSnO6",
"formula_anonymous": "ABCDE6",
"energy": -142.72426097,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:15.606000Z",
"spacegroup": 7
},
{
"id": "mp-1175431",
"created_at": "2022-09-04T14:41:52.197903Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.887170 0.000000 0.000000\n0.329466 5.880807 0.000000\n0.300902 2.836246 8.095174\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.500000 0.500000 Li\n0.755339 0.366750 0.258717 Li\n0.500000 0.000000 0.500000 Li\n0.754991 0.874252 0.257695 Li\n0.997307 0.750450 0.001121 Li\n0.002693 0.249550 0.998879 Li\n0.245009 0.125748 0.742305 Li\n0.244661 0.633250 0.741283 Li\n0.000000 0.000000 0.500000 Li\n0.755102 0.634277 0.745942 Mn\n0.244898 0.365723 0.254058 Mn\n0.000000 0.500000 0.500000 Co\n0.503208 0.250978 0.002085 Co\n0.755006 0.130304 0.747702 Co\n0.244994 0.869696 0.252298 Co\n0.496792 0.749022 0.997915 Co\n0.755416 0.733871 0.511999 O\n0.001050 0.597133 0.259835 O\n0.773884 0.260944 0.519107 O\n0.033562 0.130940 0.248523 O\n0.264186 0.980175 0.010872 O\n0.262619 0.478072 0.011411 O\n0.531852 0.380377 0.762198 O\n0.503149 0.858132 0.757328 O\n0.244584 0.266129 0.488001 O\n0.496851 0.141868 0.242672 O\n0.226116 0.739056 0.480893 O\n0.468148 0.619623 0.237802 O\n0.737381 0.521928 0.988589 O\n0.735814 0.019825 0.989128 O\n0.966438 0.869060 0.751477 O\n0.998950 0.402867 0.740165 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.283695412270306,
"density_atomic": 0.11417743616139604,
"volume": 280.2655329794431,
"volume_molar": 5.274370280558214,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.45190061,
"energy_per_atom": -6.5453718940625,
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"updated_at": "2021-11-28T01:35:36.100000Z",
"spacegroup": 2
}
]
}