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{
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"results": [
{
"id": "mp-766567",
"created_at": "2022-09-04T14:45:25.896312Z",
"structure_string": "Li12 Co3 Ni1 P4 C4 O28\n1.0\n6.436535 0.000000 0.000000\n0.000000 8.399615 0.000000\n0.000000 0.868110 9.947832\nLi Co Ni P C O\n12 3 1 4 4 28\ndirect\n0.000000 0.902602 0.617192 Li\n0.000000 0.901850 0.117428 Li\n0.228688 0.722733 0.874828 Li\n0.771312 0.722733 0.874828 Li\n0.229896 0.723069 0.375732 Li\n0.770104 0.723069 0.375732 Li\n0.728654 0.277257 0.622968 Li\n0.271346 0.277257 0.622968 Li\n0.729411 0.277197 0.124667 Li\n0.270589 0.277197 0.124667 Li\n0.500000 0.097903 0.882869 Li\n0.500000 0.098099 0.382810 Li\n0.500000 0.668311 0.604552 Co\n0.500000 0.668359 0.105163 Co\n0.000000 0.330842 0.894774 Co\n0.000000 0.332047 0.396668 Ni\n0.000000 0.585752 0.638368 P\n0.000000 0.585131 0.140221 P\n0.500000 0.412898 0.860355 P\n0.500000 0.412581 0.360711 P\n0.500000 0.962916 0.649378 C\n0.500000 0.963439 0.149288 C\n0.000000 0.036759 0.850906 C\n0.000000 0.039902 0.351007 C\n0.500000 0.927038 0.526013 O\n0.000000 0.889818 0.819937 O\n0.500000 0.926874 0.026100 O\n0.500000 0.845358 0.744289 O\n0.000000 0.892602 0.320431 O\n0.500000 0.845836 0.244299 O\n0.187311 0.691788 0.586966 O\n0.812689 0.691788 0.586966 O\n0.187543 0.691473 0.088976 O\n0.812457 0.691473 0.088976 O\n0.500000 0.580334 0.914291 O\n0.000000 0.565323 0.795064 O\n0.500000 0.580313 0.413553 O\n0.000000 0.562979 0.296705 O\n0.500000 0.433664 0.703816 O\n0.000000 0.419080 0.584844 O\n0.500000 0.433932 0.203438 O\n0.000000 0.419745 0.085016 O\n0.312686 0.307861 0.912242 O\n0.687314 0.307861 0.912242 O\n0.687228 0.308272 0.413004 O\n0.312772 0.308272 0.413004 O\n0.000000 0.153898 0.756097 O\n0.500000 0.109430 0.680415 O\n0.000000 0.156959 0.256333 O\n0.000000 0.072414 0.974302 O\n0.500000 0.109828 0.180017 O\n0.000000 0.075885 0.474584 O\n",
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"Co",
"Ni",
"P",
"C",
"O"
],
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"volume": 537.8237268898039,
"volume_molar": 6.228558052688838,
"formula_full": "Li12 Co3 Ni1 P4 C4 O28",
"formula_reduced": "Li12Co3NiP4(CO7)4",
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"updated_at": "2021-11-28T01:36:54.533000Z",
"spacegroup": 6
},
{
"id": "mp-777583",
"created_at": "2022-09-04T14:46:58.703048Z",
"structure_string": "Li8 Mn3 Fe5 B8 O24\n1.0\n5.228586 0.000000 0.000000\n0.112878 6.027507 0.000000\n0.231855 2.358650 16.026108\nLi Mn Fe B O\n8 3 5 8 24\ndirect\n0.847977 0.063078 0.390611 Li\n0.152190 0.433925 0.109740 Li\n0.652554 0.187836 0.856958 Li\n0.347865 0.314655 0.640872 Li\n0.652196 0.686122 0.360186 Li\n0.347621 0.813415 0.141561 Li\n0.846561 0.567014 0.888877 Li\n0.150368 0.934487 0.610281 Li\n0.670042 0.274288 0.041097 Mn\n0.168881 0.519513 0.291328 Mn\n0.329659 0.724778 0.959497 Mn\n0.166277 0.028945 0.791722 Fe\n0.331179 0.222270 0.462357 Fe\n0.834294 0.475737 0.706868 Fe\n0.664014 0.775398 0.539387 Fe\n0.838398 0.972515 0.209246 Fe\n0.331107 0.036255 0.298021 B\n0.829722 0.287997 0.546392 B\n0.671194 0.462272 0.203291 B\n0.167660 0.215500 0.950934 B\n0.830341 0.785207 0.049050 B\n0.329127 0.539536 0.795902 B\n0.171835 0.712091 0.454271 B\n0.668889 0.962470 0.701944 B\n0.591770 0.012101 0.308840 O\n0.185519 0.165761 0.347199 O\n0.709118 0.175633 0.489060 O\n0.287336 0.329198 0.008096 O\n0.794280 0.077544 0.757833 O\n0.821337 0.327635 0.157172 O\n0.316500 0.082578 0.903105 O\n0.092532 0.264051 0.557819 O\n0.410399 0.485202 0.189307 O\n0.906993 0.236770 0.938442 O\n0.685831 0.419338 0.595404 O\n0.204158 0.423079 0.740221 O\n0.787306 0.580299 0.259903 O\n0.317083 0.579712 0.406580 O\n0.091276 0.764246 0.061723 O\n0.589602 0.514120 0.807806 O\n0.910440 0.736984 0.443193 O\n0.680949 0.917783 0.096635 O\n0.181608 0.672962 0.843513 O\n0.206694 0.925163 0.240517 O\n0.712503 0.670269 0.991800 O\n0.294260 0.826879 0.511312 O\n0.814837 0.829339 0.653713 O\n0.407722 0.988050 0.690409 O\n",
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"elements": [
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"volume": 505.0682219048059,
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"formula_full": "Li8 Mn3 Fe5 B8 O24",
"formula_reduced": "Li8Mn3Fe5(BO3)8",
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"updated_at": "2021-11-28T01:37:50.540000Z",
"spacegroup": 1
},
{
"id": "mp-780470",
"created_at": "2022-09-04T14:42:20.572490Z",
"structure_string": "Li8 Mn3 Fe5 B8 O24\n1.0\n6.043587 0.000000 0.000000\n1.974061 9.509493 0.000000\n1.768815 3.848932 8.809030\nLi Mn Fe B O\n8 3 5 8 24\ndirect\n0.045133 0.467008 0.815171 Li\n0.045067 0.966168 0.314135 Li\n0.452782 0.031777 0.185338 Li\n0.545029 0.467759 0.315338 Li\n0.453886 0.533746 0.686266 Li\n0.546786 0.966973 0.816943 Li\n0.953817 0.033820 0.686280 Li\n0.954985 0.533709 0.186768 Li\n0.313151 0.292882 0.625294 Mn\n0.812607 0.292505 0.125504 Mn\n0.812638 0.793709 0.624890 Mn\n0.184018 0.208748 0.371333 Fe\n0.315148 0.789614 0.124358 Fe\n0.185841 0.709041 0.871862 Fe\n0.685423 0.208347 0.870969 Fe\n0.681317 0.710337 0.370036 Fe\n0.334143 0.366449 0.038080 B\n0.167380 0.130353 0.962813 B\n0.164461 0.634176 0.460288 B\n0.334496 0.867080 0.537607 B\n0.666167 0.132629 0.462289 B\n0.834527 0.367753 0.537393 B\n0.837157 0.867100 0.038267 B\n0.666067 0.632833 0.964013 B\n0.176214 0.012345 0.105120 O\n0.014579 0.245176 0.561424 O\n0.016931 0.745019 0.062892 O\n0.164342 0.361570 0.157018 O\n0.177569 0.517288 0.603709 O\n0.513669 0.244533 0.061538 O\n0.166566 0.862830 0.657515 O\n0.341604 0.134871 0.847061 O\n0.336770 0.638694 0.343406 O\n0.484829 0.253958 0.433146 O\n0.321150 0.487083 0.897661 O\n0.321156 0.985885 0.397063 O\n0.674746 0.016579 0.606220 O\n0.676055 0.515770 0.106409 O\n0.513764 0.744637 0.561166 O\n0.666207 0.363159 0.657008 O\n0.665973 0.862837 0.155661 O\n0.840422 0.134098 0.347755 O\n0.483977 0.754238 0.937589 O\n0.820965 0.486631 0.396869 O\n0.837687 0.635921 0.847462 O\n0.986193 0.252084 0.934761 O\n0.982172 0.754089 0.433609 O\n0.824440 0.986182 0.896707 O\n",
"nsites": 48,
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"elements": [
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],
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"density": 3.181697150713489,
"density_atomic": 0.09481149768289217,
"volume": 506.2677119661315,
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"formula_full": "Li8 Mn3 Fe5 B8 O24",
"formula_reduced": "Li8Mn3Fe5(BO3)8",
"formula_anonymous": "A3B5C8D8E24",
"energy": -372.60304577,
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"updated_at": "2021-11-28T01:35:46.673000Z",
"spacegroup": 1
},
{
"id": "mp-759711",
"created_at": "2022-09-04T14:46:17.367327Z",
"structure_string": "Li9 Cu9 C9 O27\n1.0\n3.210871 0.000000 0.000000\n-0.000832 14.158437 0.000000\n-1.257331 -7.078750 12.291413\nLi Cu C O\n9 9 9 27\ndirect\n0.998733 0.228338 0.122895 Li\n0.997131 0.523732 0.422846 Li\n0.977587 0.894029 0.769862 Li\n0.008705 0.577607 0.103242 Li\n0.005089 0.898837 0.476595 Li\n0.995254 0.184271 0.755438 Li\n0.028947 0.875369 0.105008 Li\n0.927186 0.247088 0.431867 Li\n0.062331 0.569956 0.817741 Li\n0.493246 0.454830 0.197836 Cu\n0.506148 0.740869 0.544963 Cu\n0.499938 0.120048 0.905127 Cu\n0.488102 0.803119 0.255301 Cu\n0.539496 0.118223 0.546263 Cu\n0.511050 0.091989 0.214766 Cu\n0.550484 0.423674 0.875853 Cu\n0.431273 0.449910 0.567919 Cu\n0.498687 0.786950 0.878814 Cu\n0.472555 0.330134 0.317733 C\n0.026016 0.999974 0.999355 C\n0.970130 0.666791 0.333169 C\n0.489453 0.986047 0.668533 C\n0.537258 0.683747 0.014619 C\n0.018773 0.008579 0.343938 C\n0.969306 0.333549 0.990315 C\n0.997664 0.334034 0.666993 C\n0.007681 0.654074 0.664665 C\n0.526171 0.249866 0.221510 O\n0.477717 0.430062 0.336155 O\n0.120738 0.337220 0.079548 O\n0.877643 0.739489 0.661892 O\n0.891712 0.579106 0.238543 O\n0.076305 0.658142 0.418691 O\n0.096264 0.087263 0.993234 O\n0.946575 0.761911 0.340803 O\n0.469145 0.968184 0.749393 O\n0.527979 0.905147 0.571031 O\n0.506589 0.664498 0.094451 O\n0.471489 0.083968 0.684941 O\n0.504640 0.782368 0.031151 O\n0.105501 0.919284 0.258463 O\n0.828663 0.241714 0.905944 O\n0.091117 0.017873 0.440514 O\n0.937519 0.237546 0.653398 O\n0.852695 0.088082 0.335863 O\n0.960199 0.422546 0.984228 O\n0.053462 0.005629 0.093643 O\n0.147114 0.414039 0.761621 O\n0.912163 0.352875 0.587217 O\n0.413567 0.311072 0.395611 O\n0.601147 0.605275 0.919468 O\n0.969388 0.558172 0.576530 O\n0.176620 0.662224 0.754803 O\n0.923367 0.907493 0.911278 O\n",
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"elements": [
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],
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"volume": 558.7788787789939,
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"formula_full": "Li9 Cu9 C9 O27",
"formula_reduced": "LiCuCO3",
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"energy": -358.37846731,
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},
{
"id": "mp-779053",
"created_at": "2022-09-04T14:46:30.546161Z",
"structure_string": "Li8 Mn3 Fe5 B8 O24\n1.0\n5.237379 0.000000 0.000000\n0.137748 6.064890 0.000000\n0.237515 2.309101 15.981991\nLi Mn Fe B O\n8 3 5 8 24\ndirect\n0.846813 0.064219 0.389469 Li\n0.152047 0.435367 0.111205 Li\n0.652599 0.188150 0.859942 Li\n0.348317 0.312885 0.639248 Li\n0.652531 0.688293 0.357234 Li\n0.347492 0.811673 0.142867 Li\n0.846664 0.562547 0.890833 Li\n0.151682 0.936469 0.608098 Li\n0.167068 0.022782 0.789702 Mn\n0.667774 0.772114 0.541160 Mn\n0.332966 0.725069 0.960666 Mn\n0.662958 0.270036 0.042227 Fe\n0.337068 0.228803 0.458208 Fe\n0.162654 0.521911 0.293380 Fe\n0.838637 0.475487 0.709995 Fe\n0.837361 0.977267 0.207006 Fe\n0.328756 0.039379 0.297023 B\n0.828303 0.287694 0.547272 B\n0.670707 0.461251 0.203018 B\n0.171942 0.213000 0.953633 B\n0.830309 0.785747 0.048471 B\n0.329072 0.537404 0.796596 B\n0.169635 0.714183 0.451550 B\n0.670430 0.963687 0.702601 B\n0.588893 0.013500 0.307454 O\n0.183060 0.169803 0.345951 O\n0.703278 0.176422 0.489979 O\n0.296301 0.326287 0.010639 O\n0.785680 0.081375 0.759444 O\n0.815463 0.329552 0.154225 O\n0.318162 0.081968 0.905544 O\n0.088994 0.262729 0.557271 O\n0.410027 0.486858 0.192705 O\n0.911934 0.238076 0.942682 O\n0.683996 0.417536 0.596636 O\n0.207220 0.423742 0.739012 O\n0.796753 0.574899 0.258979 O\n0.318120 0.581416 0.403967 O\n0.090242 0.763369 0.061847 O\n0.589026 0.513242 0.808138 O\n0.909302 0.736703 0.438894 O\n0.680586 0.917963 0.095743 O\n0.181338 0.667500 0.844432 O\n0.203255 0.926961 0.240352 O\n0.714476 0.671747 0.990856 O\n0.287603 0.827855 0.508669 O\n0.821445 0.828862 0.656852 O\n0.411057 0.986224 0.688323 O\n",
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"formula_full": "Li8 Mn3 Fe5 B8 O24",
"formula_reduced": "Li8Mn3Fe5(BO3)8",
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"energy": -372.59830834,
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"spacegroup": 1
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{
"id": "mp-777957",
"created_at": "2022-09-04T14:39:31.097653Z",
"structure_string": "Li8 Mn3 Fe5 B8 O24\n1.0\n5.241633 0.000000 0.000000\n-2.612915 4.545219 0.000000\n-0.311057 -0.404143 20.815030\nLi Mn Fe B O\n8 3 5 8 24\ndirect\n0.676580 0.652013 0.333857 Li\n0.652721 0.678149 0.083519 Li\n0.678581 0.652645 0.832711 Li\n0.652110 0.676203 0.584523 Li\n0.346986 0.335432 0.208134 Li\n0.337849 0.346645 0.458283 Li\n0.351077 0.340364 0.708574 Li\n0.335005 0.347518 0.958742 Li\n0.672042 0.006748 0.441552 Mn\n0.322871 0.999431 0.066744 Mn\n0.000302 0.322808 0.817085 Mn\n0.674569 0.999387 0.941359 Fe\n0.316302 0.001982 0.566955 Fe\n0.006838 0.323351 0.315437 Fe\n0.996679 0.668388 0.192571 Fe\n0.013130 0.670638 0.689863 Fe\n0.996005 0.339393 0.062837 B\n0.993823 0.336073 0.563681 B\n0.668966 0.006408 0.188871 B\n0.668388 0.006432 0.687259 B\n0.337553 0.996078 0.312524 B\n0.338435 0.995112 0.812785 B\n0.006199 0.667269 0.437891 B\n0.005897 0.669697 0.938184 B\n0.932622 0.254196 0.208014 O\n0.930620 0.258245 0.706986 O\n0.746395 0.069170 0.047289 O\n0.965697 0.576592 0.083645 O\n0.739889 0.069594 0.549655 O\n0.974914 0.582380 0.582135 O\n0.418896 0.027257 0.174528 O\n0.731476 0.643121 0.430546 O\n0.418424 0.032284 0.672865 O\n0.733709 0.651398 0.932043 O\n0.653721 0.734650 0.182141 O\n0.654220 0.739110 0.681015 O\n0.357614 0.269827 0.306196 O\n0.368184 0.272058 0.805836 O\n0.272615 0.369102 0.056234 O\n0.583025 0.977417 0.331423 O\n0.268924 0.357752 0.557250 O\n0.576799 0.965914 0.833493 O\n0.038946 0.424273 0.422102 O\n0.027247 0.418965 0.923882 O\n0.247583 0.929620 0.459460 O\n0.254743 0.932459 0.957247 O\n0.067980 0.741577 0.298533 O\n0.068055 0.746075 0.797334 O\n",
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"formula_full": "Li8 Mn3 Fe5 B8 O24",
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"spacegroup": 1
},
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