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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=165",
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"results": [
{
"id": "mp-1175969",
"created_at": "2022-09-04T14:39:09.958572Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.825611 -0.093843 1.901801\n2.079340 9.792615 -2.239144\n-0.168356 -0.090971 5.942733\nLi Mn Co O\n9 2 5 16\ndirect\n0.498387 0.128012 0.939539 Li\n0.499132 0.379447 0.314011 Li\n0.487786 0.621813 0.679613 Li\n0.509685 0.866442 0.049769 Li\n0.500500 0.131283 0.445392 Li\n0.503869 0.376940 0.812756 Li\n0.492331 0.627453 0.198332 Li\n0.500043 0.865892 0.556316 Li\n0.005565 0.745591 0.623516 Li\n0.995027 0.998035 0.993789 Mn\n0.994362 0.997226 0.496515 Mn\n0.995605 0.253198 0.374219 Co\n0.007440 0.500890 0.752031 Co\n0.999155 0.748493 0.125014 Co\n0.001979 0.251113 0.874635 Co\n0.006825 0.504842 0.260560 Co\n0.236429 0.067218 0.738825 O\n0.223424 0.320074 0.116223 O\n0.234930 0.558170 0.489517 O\n0.230923 0.819867 0.869360 O\n0.204246 0.064915 0.214317 O\n0.226050 0.314465 0.610251 O\n0.234208 0.572363 0.000439 O\n0.210137 0.815511 0.327503 O\n0.767509 0.181713 0.133474 O\n0.771221 0.433188 0.511671 O\n0.799707 0.682428 0.926271 O\n0.756741 0.929995 0.253244 O\n0.769274 0.184502 0.633352 O\n0.780436 0.430588 0.007071 O\n0.774318 0.682885 0.383237 O\n0.782755 0.945447 0.789239 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.23119787088423,
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"volume": 283.7428582820303,
"volume_molar": 5.339810725684744,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
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"energy": -208.23380246,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.570000Z",
"spacegroup": 1
},
{
"id": "mp-1203129",
"created_at": "2022-09-04T14:41:01.746536Z",
"structure_string": "Mg1 Al2 As2 H18 O18\n1.0\n5.457212 0.000000 0.000000\n-2.391674 6.617668 0.000000\n-2.139331 -2.302859 10.066713\nMg Al As H O\n1 2 2 18 18\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.482846 0.073853 0.833630 As\n0.517154 0.926147 0.166370 As\n0.904770 0.311088 0.170414 H\n0.095230 0.688912 0.829586 H\n0.022000 0.004883 0.622394 H\n0.978000 0.995117 0.377606 H\n0.834708 0.505675 0.220371 H\n0.165292 0.494325 0.779629 H\n0.558691 0.589454 0.761833 H\n0.441309 0.410546 0.238167 H\n0.689160 0.399523 0.452757 H\n0.310840 0.600477 0.547243 H\n0.804636 0.407601 0.604677 H\n0.195364 0.592399 0.395323 H\n0.410245 0.352121 0.685509 H\n0.589755 0.647879 0.314491 H\n0.804880 0.944885 0.704766 H\n0.195120 0.055115 0.295234 H\n0.681814 0.671384 0.008351 H\n0.318186 0.328616 0.991649 H\n0.871487 0.716224 0.005196 O\n0.128513 0.283776 0.994804 O\n0.693606 0.938044 0.847408 O\n0.306394 0.061956 0.152592 O\n0.628405 0.317055 0.936068 O\n0.371595 0.682945 0.063932 O\n0.194178 0.936030 0.875891 O\n0.805822 0.063970 0.124109 O\n0.388715 0.093178 0.671823 O\n0.611285 0.906822 0.328177 O\n0.972610 0.468313 0.183146 O\n0.027390 0.531687 0.816854 O\n0.394277 0.490764 0.696294 O\n0.605723 0.509236 0.303706 O\n0.825705 0.959020 0.614425 O\n0.174295 0.040980 0.385575 O\n0.735081 0.317234 0.515660 O\n0.264919 0.682766 0.484340 O\n",
"nsites": 41,
"nelements": 5,
"elements": [
"Mg",
"Al",
"As",
"H",
"O"
],
"chemical_system": "Al-As-H-Mg-O",
"density": 2.4401963482698683,
"density_atomic": 0.11277695614209766,
"volume": 363.5494466470657,
"volume_molar": 5.339868148606682,
"formula_full": "Mg1 Al2 As2 H18 O18",
"formula_reduced": "MgAl2As2(HO)18",
"formula_anonymous": "AB2C2D18E18",
"energy": -238.67673383000005,
"energy_per_atom": -5.82138375195122,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -226.31073383,
"band_gap": 3.9949,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.563000Z",
"spacegroup": 2
},
{
"id": "mp-1174046",
"created_at": "2022-09-04T14:39:22.729722Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n7.302645 2.513457 0.000000\n-7.302645 2.513457 0.000000\n0.000000 1.671501 4.830993\nLi Mn Co O\n6 2 2 10\ndirect\n0.896900 0.103100 0.500000 Li\n0.297235 0.702765 0.500000 Li\n0.702400 0.297600 0.500000 Li\n0.105663 0.894337 0.500000 Li\n0.498640 0.501360 0.500000 Li\n0.201274 0.798726 0.000000 Li\n0.002048 0.997952 0.000000 Mn\n0.602220 0.397780 0.000000 Mn\n0.392450 0.607550 0.000000 Co\n0.796760 0.203240 0.000000 Co\n0.668090 0.858928 0.228649 O\n0.053035 0.441139 0.232935 O\n0.471271 0.081867 0.233743 O\n0.841895 0.656258 0.220907 O\n0.255123 0.246812 0.219518 O\n0.141072 0.331910 0.771351 O\n0.558861 0.946965 0.767065 O\n0.918133 0.528729 0.766257 O\n0.343742 0.158105 0.779093 O\n0.753188 0.744877 0.780482 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.020456475182618,
"density_atomic": 0.1127747681804355,
"volume": 177.34463411177873,
"volume_molar": 5.339971748259146,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy": -132.52119942000002,
"energy_per_atom": -6.626059971000001,
"energy_above_hull": null,
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"energy_uncorrected": -119.03919942,
"band_gap": 1.0015,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.747000Z",
"spacegroup": 5
},
{
"id": "mp-1227779",
"created_at": "2022-09-04T14:39:41.741402Z",
"structure_string": "Co2 H31 S2 N9 O11\n1.0\n0.054993 -0.037384 -7.054902\n2.487399 8.087853 -2.506718\n8.577687 0.038987 -3.455976\nCo H S N O\n2 31 2 9 11\ndirect\n0.535586 0.614570 0.332988 Co\n0.459867 0.377338 0.675213 Co\n0.831769 0.814467 0.194691 H\n0.184487 0.189009 0.798852 H\n0.414263 0.938265 0.319130 H\n0.583718 0.071814 0.685518 H\n0.868129 0.859812 0.421391 H\n0.126946 0.137846 0.581428 H\n0.788358 0.352114 0.240624 H\n0.223199 0.637329 0.745631 H\n0.548960 0.351305 0.247618 H\n0.470100 0.629907 0.730224 H\n0.927573 0.640581 0.143506 H\n0.089408 0.363383 0.847864 H\n0.441500 0.775067 0.057707 H\n0.556871 0.226492 0.941757 H\n0.768563 0.786073 0.049493 H\n0.239477 0.214615 0.949413 H\n0.698549 0.477822 0.086844 H\n0.313981 0.516269 0.899368 H\n0.304574 0.620136 0.163666 H\n0.688566 0.381934 0.825431 H\n0.219732 0.794951 0.214710 H\n0.770516 0.203863 0.782956 H\n0.963320 0.017969 0.297859 H\n0.034122 0.979541 0.706231 H\n0.500172 0.832323 0.479338 H\n0.496688 0.172286 0.525693 H\n0.260695 0.829553 0.489469 H\n0.727991 0.189238 0.517380 H\n0.265563 0.409584 0.479732 H\n0.172096 0.564426 0.560757 H\n0.814058 0.434024 0.469299 H\n0.791911 0.745261 0.754676 S\n0.205121 0.261492 0.247210 S\n0.657101 0.425911 0.212260 N\n0.353717 0.560398 0.773314 N\n0.412024 0.830017 0.414024 N\n0.577369 0.181765 0.592890 N\n0.797452 0.729369 0.160335 N\n0.218269 0.272680 0.835760 N\n0.352124 0.715361 0.172953 N\n0.638271 0.284357 0.822897 N\n0.305534 0.489552 0.516330 N\n0.703523 0.780778 0.620296 O\n0.290145 0.237476 0.381767 O\n0.661524 0.852004 0.862680 O\n0.342756 0.151863 0.144484 O\n0.008513 0.786506 0.682038 O\n0.992774 0.213860 0.324316 O\n0.800700 0.566221 0.851096 O\n0.192533 0.438171 0.144541 O\n0.943686 0.909240 0.304062 O\n0.053290 0.089391 0.698793 O\n0.677364 0.500621 0.500197 O\n",
"nsites": 55,
"nelements": 5,
"elements": [
"Co",
"H",
"S",
"N",
"O"
],
"chemical_system": "Co-H-N-O-S",
"density": 1.7544965972354074,
"density_atomic": 0.11277404477283265,
"volume": 487.7008722245417,
"volume_molar": 5.340006002383572,
"formula_full": "Co2 H31 S2 N9 O11",
"formula_reduced": "Co2H31S2N9O11",
"formula_anonymous": "A2B2C9D11E31",
"energy": -305.97778343,
"energy_per_atom": -5.563232426,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -291.89578343,
"band_gap": 2.6535,
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"total_magnetization": 0.0017536,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.527000Z",
"spacegroup": 1
},
{
"id": "mp-764850",
"created_at": "2022-09-04T14:40:34.479699Z",
"structure_string": "Li3 Ni4 O8\n1.0\n5.583430 0.000000 0.000000\n-0.144639 5.672179 0.000000\n-2.711399 -2.774634 4.199961\nLi Ni O\n3 4 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.764751 0.284365 0.047768 O\n0.757012 0.725439 0.507606 O\n0.287344 0.289332 0.056117 O\n0.258438 0.722346 0.499378 O\n0.741562 0.277654 0.500622 O\n0.712656 0.710668 0.943883 O\n0.242988 0.274561 0.492394 O\n0.235249 0.715635 0.952232 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.788749847714306,
"density_atomic": 0.11277036809961825,
"volume": 133.01366531631263,
"volume_molar": 5.340180103589097,
"formula_full": "Li3 Ni4 O8",
"formula_reduced": "Li3(NiO2)4",
"formula_anonymous": "A3B4C8",
"energy": -88.04529423,
"energy_per_atom": -5.869686282,
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"updated_at": "2021-11-28T01:34:52.368000Z",
"spacegroup": 2
},
{
"id": "mp-1175904",
"created_at": "2022-09-04T14:47:34.673959Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.907151 0.000000 0.000000\n0.295316 5.902163 0.000000\n2.869112 0.131998 8.139358\nLi Mn Co O\n9 2 5 16\ndirect\n0.125222 0.254576 0.258745 Li\n0.247113 0.001664 0.502943 Li\n0.612733 0.257472 0.263132 Li\n0.748824 0.000447 0.503675 Li\n0.887065 0.741911 0.737724 Li\n0.374326 0.740700 0.742188 Li\n0.502000 0.501497 0.995276 Li\n0.002926 0.497489 0.996857 Li\n0.250067 0.500284 0.504087 Li\n0.997865 0.997967 0.996974 Mn\n0.620610 0.746421 0.252558 Mn\n0.121605 0.745093 0.253357 Co\n0.372033 0.253742 0.747478 Co\n0.498635 0.001093 0.998891 Co\n0.751750 0.492086 0.503815 Co\n0.882284 0.258974 0.748337 Co\n0.871043 0.974639 0.237452 O\n0.005058 0.743430 0.479266 O\n0.399563 0.995558 0.234340 O\n0.520487 0.743738 0.482277 O\n0.642753 0.495452 0.751140 O\n0.142423 0.481758 0.751463 O\n0.237841 0.215939 0.995306 O\n0.769376 0.238323 0.986608 O\n0.389037 0.535603 0.242573 O\n0.503030 0.257291 0.517440 O\n0.855552 0.508524 0.250159 O\n0.984470 0.257644 0.513026 O\n0.100824 0.001971 0.762411 O\n0.599608 0.017271 0.768629 O\n0.754927 0.778653 0.007129 O\n0.228945 0.762793 0.014742 O\n",
"nsites": 32,
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"elements": [
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"Mn",
"Co",
"O"
],
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"density": 4.230667089902495,
"density_atomic": 0.11276402150204523,
"volume": 283.77845676087037,
"volume_molar": 5.340480660217296,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -205.06699887,
"energy_per_atom": -6.4083437146875,
"energy_above_hull": null,
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"energy_uncorrected": -182.54899887,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:15.959000Z",
"spacegroup": 1
},
{
"id": "mp-1222698",
"created_at": "2022-09-04T14:41:23.285029Z",
"structure_string": "Li2 B1\n1.0\n-0.005505 0.003179 -2.052664\n-3.868202 -0.000648 0.006574\n-1.933541 3.350285 0.006574\nLi B\n2 1\ndirect\n0.006099 0.333253 0.333253 Li\n0.993901 0.666747 0.666747 Li\n0.500000 0.000000 0.000000 B\n",
"nsites": 3,
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"elements": [
"Li",
"B"
],
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"density": 1.5412374913113491,
"density_atomic": 0.11276332305277277,
"volume": 26.604395106341556,
"volume_molar": 5.340513738834799,
"formula_full": "Li2 B1",
"formula_reduced": "Li2B",
"formula_anonymous": "AB2",
"energy": -9.39722342,
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"updated_at": "2021-11-28T01:35:12.276000Z",
"spacegroup": 191
},
{
"id": "mp-1174101",
"created_at": "2022-09-04T14:48:16.935323Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n5.036796 0.000000 0.000000\n1.661812 4.821102 0.000000\n2.446620 0.061384 7.304548\nLi Mn Co O\n6 2 2 10\ndirect\n0.091619 0.505201 0.807099 Li\n0.697109 0.497495 0.606670 Li\n0.294593 0.502054 0.401722 Li\n0.903335 0.498468 0.196931 Li\n0.511432 0.500249 0.989016 Li\n0.600240 0.997936 0.802414 Li\n0.002484 0.995073 0.996127 Mn\n0.798265 0.002553 0.401476 Mn\n0.194907 0.003161 0.607107 Co\n0.403753 0.000346 0.190691 Co\n0.759753 0.770057 0.005697 O\n0.318977 0.765941 0.812174 O\n0.955668 0.778044 0.582179 O\n0.551489 0.780389 0.395658 O\n0.128541 0.775257 0.202284 O\n0.460939 0.222872 0.580553 O\n0.034799 0.230344 0.402790 O\n0.674395 0.221850 0.195847 O\n0.244894 0.219981 0.012520 O\n0.872808 0.232731 0.811045 O\n",
"nsites": 20,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.019753192800098,
"density_atomic": 0.11275504094096812,
"volume": 177.37566172736186,
"volume_molar": 5.340906011601589,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy": -132.63107183,
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"spacegroup": 1
},
{
"id": "mp-1175778",
"created_at": "2022-09-04T14:48:10.022318Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.795434 0.000000 0.000000\n1.433028 6.422920 0.000000\n1.325083 0.237735 7.624321\nLi Mn Co O\n9 2 5 16\ndirect\n0.812614 0.617855 0.126344 Li\n0.938216 0.870829 0.382618 Li\n0.687582 0.379967 0.870485 Li\n0.557417 0.134177 0.619909 Li\n0.434887 0.871374 0.381736 Li\n0.317101 0.617321 0.130632 Li\n0.189941 0.381955 0.862148 Li\n0.064386 0.131188 0.625317 Li\n0.253956 0.497664 0.498916 Li\n0.996717 0.000194 0.001816 Mn\n0.127176 0.256246 0.255934 Mn\n0.375091 0.737155 0.743150 Co\n0.499170 0.001360 0.995720 Co\n0.624110 0.250675 0.252109 Co\n0.746697 0.499797 0.500033 Co\n0.881273 0.742971 0.740118 Co\n0.719962 0.958234 0.172145 O\n0.851912 0.192910 0.418222 O\n0.592881 0.702938 0.925085 O\n0.473978 0.445059 0.688847 O\n0.350101 0.189199 0.414039 O\n0.205779 0.955891 0.178422 O\n0.085565 0.710506 0.937486 O\n0.955189 0.446702 0.681793 O\n0.906699 0.290196 0.077724 O\n0.036436 0.538714 0.309531 O\n0.788258 0.055432 0.828740 O\n0.653709 0.806661 0.564588 O\n0.551533 0.537834 0.316562 O\n0.400263 0.303693 0.084297 O\n0.268759 0.060194 0.835161 O\n0.152644 0.815107 0.580376 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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},
{
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"created_at": "2022-09-04T14:39:28.563514Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.032551 0.000000 0.000000\n0.836965 6.542370 0.000000\n1.780037 0.291416 7.542407\nLi Mn Co O\n8 2 4 14\ndirect\n0.922335 0.147411 0.638393 Li\n0.651229 0.704648 0.225853 Li\n0.502291 0.993473 0.499276 Li\n0.228282 0.569360 0.071134 Li\n0.061200 0.851773 0.364745 Li\n0.783165 0.433528 0.924721 Li\n0.365504 0.294425 0.776840 Li\n0.713987 0.576544 0.575880 Li\n0.998705 0.998389 0.000187 Mn\n0.145167 0.711709 0.710680 Mn\n0.419133 0.145212 0.149721 Co\n0.843208 0.291881 0.298029 Co\n0.570848 0.855793 0.855436 Co\n0.275393 0.439991 0.426968 Co\n0.251985 0.980300 0.765366 O\n0.983880 0.555875 0.319110 O\n0.831438 0.851703 0.629614 O\n0.542324 0.419014 0.179304 O\n0.374241 0.712433 0.478665 O\n0.099728 0.261193 0.039646 O\n0.682830 0.120860 0.905827 O\n0.606462 0.284300 0.519061 O\n0.310320 0.869855 0.087083 O\n0.188336 0.146908 0.381023 O\n0.887877 0.735865 0.949030 O\n0.759818 0.001814 0.231516 O\n0.447301 0.598441 0.817898 O\n0.053015 0.447302 0.678993 O\n",
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],
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"density": 4.180085118397807,
"density_atomic": 0.11275213676529879,
"volume": 248.33232259078068,
"volume_molar": 5.341043578212175,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -183.43171875,
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"updated_at": "2021-11-28T01:34:43.140000Z",
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{
"id": "mp-1175917",
"created_at": "2022-09-04T14:40:01.028292Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.141261 -0.008038 2.653959\n-1.965075 9.557403 0.624824\n0.231995 -0.242664 5.855961\nLi Mn Co O\n9 2 5 16\ndirect\n0.748907 0.244115 0.124753 Li\n0.752041 0.752244 0.377795 Li\n0.751383 0.244962 0.624904 Li\n0.246980 0.247901 0.620841 Li\n0.250698 0.754891 0.874620 Li\n0.246169 0.244447 0.131973 Li\n0.754798 0.755180 0.868222 Li\n0.250221 0.755835 0.375085 Li\n0.000120 0.000009 0.500022 Li\n0.999291 0.999540 0.000165 Mn\n0.499463 0.500063 0.750506 Mn\n0.999774 0.499297 0.250213 Co\n0.999971 0.500593 0.749841 Co\n0.499842 0.000042 0.499949 Co\n0.499958 0.000166 0.999690 Co\n0.500535 0.499965 0.249483 Co\n0.858943 0.111552 0.833319 O\n0.862758 0.616201 0.083768 O\n0.859817 0.107394 0.303655 O\n0.394301 0.102902 0.297570 O\n0.384547 0.617185 0.566034 O\n0.355295 0.115948 0.844408 O\n0.859026 0.618668 0.566091 O\n0.381423 0.613797 0.044223 O\n0.617350 0.384343 0.457140 O\n0.606324 0.898755 0.702935 O\n0.616385 0.384591 0.932515 O\n0.142651 0.384004 0.932275 O\n0.142859 0.889407 0.166432 O\n0.135932 0.380965 0.419536 O\n0.642928 0.883008 0.156034 O\n0.139310 0.892030 0.696001 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
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{
"id": "mp-1372792",
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.785856 0.000000 0.000000\n2.893253 5.102729 0.000000\n1.472821 1.008108 9.613033\nLi Mn Co O\n9 2 5 16\ndirect\n0.251093 0.124753 0.244115 Li\n0.247959 0.377795 0.752244 Li\n0.248617 0.624904 0.244962 Li\n0.753020 0.620841 0.247901 Li\n0.749302 0.874620 0.754891 Li\n0.753831 0.131973 0.244447 Li\n0.245202 0.868222 0.755180 Li\n0.749779 0.375085 0.755835 Li\n0.999880 0.500022 0.000009 Li\n0.000709 0.000165 0.999540 Mn\n0.500537 0.750506 0.500063 Mn\n0.000226 0.250213 0.499297 Co\n0.000029 0.749841 0.500593 Co\n0.500158 0.499949 0.000042 Co\n0.500042 0.999690 0.000166 Co\n0.499465 0.249483 0.499965 Co\n0.141057 0.833319 0.111552 O\n0.137242 0.083768 0.616201 O\n0.140183 0.303655 0.107394 O\n0.605699 0.297570 0.102902 O\n0.615453 0.566034 0.617185 O\n0.644705 0.844408 0.115948 O\n0.140974 0.566091 0.618668 O\n0.618577 0.044223 0.613797 O\n0.382650 0.457140 0.384343 O\n0.393676 0.702935 0.898755 O\n0.383615 0.932515 0.384591 O\n0.857349 0.932275 0.384004 O\n0.857141 0.166432 0.889407 O\n0.864068 0.419536 0.380965 O\n0.357072 0.156034 0.883008 O\n0.860690 0.696001 0.892030 O\n",
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],
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"formula_full": "Li9 Mn2 Co5 O16",
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}
]
}