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{
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"results": [
{
"id": "mp-755968",
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"structure_string": "Na5 Li1 Fe2 P2 C2 O14\n1.0\n8.950191 0.187597 -0.001094\n0.134167 5.224011 -0.001337\n-0.000821 -0.001795 6.698875\nNa Li Fe P C O\n5 1 2 2 2 14\ndirect\n0.261597 0.254834 0.005600 Na\n0.261727 0.255055 0.494167 Na\n0.733111 0.738858 0.504663 Na\n0.733251 0.739130 0.995794 Na\n0.915937 0.232083 0.750065 Na\n0.104138 0.768622 0.250144 Li\n0.346175 0.776835 0.749956 Fe\n0.648094 0.218081 0.249982 Fe\n0.408695 0.711155 0.249900 P\n0.584635 0.280266 0.749928 P\n0.056413 0.718699 0.750064 C\n0.951599 0.294033 0.250059 C\n0.084592 0.382437 0.250029 O\n0.114102 0.943203 0.750012 O\n0.147072 0.515574 0.749912 O\n0.309197 0.790525 0.065904 O\n0.309050 0.790401 0.433807 O\n0.432727 0.152229 0.749905 O\n0.437275 0.414586 0.249726 O\n0.558580 0.577973 0.749980 O\n0.559709 0.842942 0.250158 O\n0.681207 0.199581 0.563498 O\n0.681278 0.199753 0.936352 O\n0.835853 0.457464 0.250094 O\n0.930679 0.049160 0.250045 O\n0.913308 0.696521 0.750256 O\n",
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"formula_full": "Na5 Li1 Fe2 P2 C2 O14",
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},
{
"id": "mp-1101665",
"created_at": "2022-09-04T14:39:48.415132Z",
"structure_string": "Na2 Li10 Fe4 P4 C4 O28\n1.0\n6.503554 0.000000 0.000000\n0.093733 8.564105 0.000000\n0.049649 0.816817 10.210742\nNa Li Fe P C O\n2 10 4 4 4 28\ndirect\n0.749135 0.913251 0.121503 Na\n0.495472 0.259132 0.626231 Na\n0.778578 0.916428 0.621593 Li\n0.974367 0.718345 0.379699 Li\n0.529856 0.714703 0.381041 Li\n0.974073 0.718841 0.872931 Li\n0.514328 0.725863 0.868028 Li\n0.471819 0.282211 0.125988 Li\n0.028436 0.284039 0.123837 Li\n0.021832 0.276582 0.628395 Li\n0.238937 0.092085 0.382545 Li\n0.233525 0.103744 0.891030 Li\n0.245502 0.666826 0.104458 Fe\n0.248178 0.665739 0.604875 Fe\n0.760798 0.333850 0.390326 Fe\n0.751714 0.338254 0.891637 Fe\n0.746691 0.579496 0.136823 P\n0.754912 0.589865 0.636698 P\n0.251784 0.413193 0.355227 P\n0.245761 0.417058 0.858205 P\n0.245936 0.967231 0.150840 C\n0.242227 0.961039 0.657853 C\n0.751608 0.030428 0.361705 C\n0.757883 0.041004 0.842790 C\n0.746292 0.881909 0.345275 O\n0.752354 0.892551 0.823441 O\n0.242617 0.931889 0.029919 O\n0.244824 0.935140 0.534739 O\n0.240182 0.854054 0.244200 O\n0.255610 0.841532 0.745599 O\n0.933178 0.674530 0.079187 O\n0.557975 0.678944 0.085536 O\n0.933716 0.701424 0.589822 O\n0.559524 0.677952 0.582553 O\n0.752860 0.569016 0.289960 O\n0.244296 0.576895 0.408605 O\n0.748279 0.571331 0.789934 O\n0.251426 0.580780 0.909824 O\n0.742578 0.411114 0.091831 O\n0.240728 0.432784 0.202277 O\n0.777834 0.427858 0.582821 O\n0.227347 0.434875 0.706335 O\n0.447582 0.317356 0.396923 O\n0.074278 0.305362 0.410710 O\n0.437188 0.314190 0.900745 O\n0.064888 0.315994 0.918792 O\n0.763326 0.133712 0.260786 O\n0.770535 0.145739 0.743416 O\n0.746581 0.080130 0.478341 O\n0.750584 0.089622 0.958882 O\n0.254866 0.112431 0.179976 O\n0.225199 0.101681 0.695315 O\n",
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"formula_full": "Na2 Li10 Fe4 P4 C4 O28",
"formula_reduced": "NaLi5Fe2P2(CO7)2",
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"updated_at": "2021-11-28T01:34:30.473000Z",
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},
{
"id": "mp-1176362",
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"structure_string": "Na6 Li6 Fe4 P4 C4 O28\n1.0\n6.642517 0.000000 0.000000\n-0.198746 8.734661 0.000000\n-0.072615 -0.442400 10.232439\nNa Li Fe P C O\n6 6 4 4 4 28\ndirect\n0.245034 0.915994 0.380719 Na\n0.500740 0.742603 0.630444 Na\n0.998709 0.739897 0.123780 Na\n0.499459 0.737705 0.122824 Na\n0.501429 0.258342 0.874183 Na\n0.502857 0.258206 0.373236 Na\n0.226784 0.918596 0.874590 Li\n0.027027 0.719250 0.617290 Li\n0.983860 0.271339 0.879896 Li\n0.979755 0.275795 0.380093 Li\n0.777770 0.089378 0.627738 Li\n0.766504 0.094739 0.123942 Li\n0.753825 0.650973 0.886464 Fe\n0.752898 0.648917 0.393691 Fe\n0.243578 0.345451 0.609624 Fe\n0.242541 0.344937 0.105704 Fe\n0.241600 0.591871 0.849894 P\n0.244782 0.580503 0.355621 P\n0.757639 0.409499 0.647505 P\n0.751281 0.405063 0.143152 P\n0.761775 0.957716 0.862182 C\n0.760670 0.956183 0.362801 C\n0.235976 0.049837 0.645956 C\n0.246571 0.050424 0.134403 C\n0.224810 0.902816 0.660087 O\n0.257229 0.906282 0.154166 O\n0.755752 0.919640 0.983886 O\n0.750990 0.918995 0.484244 O\n0.755059 0.850775 0.769188 O\n0.754855 0.847562 0.270588 O\n0.067646 0.698214 0.895901 O\n0.439164 0.683119 0.887889 O\n0.066829 0.682840 0.403556 O\n0.440451 0.671095 0.400204 O\n0.228500 0.568952 0.697470 O\n0.770225 0.570311 0.588721 O\n0.241366 0.562631 0.203689 O\n0.745789 0.561678 0.078888 O\n0.231263 0.433329 0.911974 O\n0.777727 0.428951 0.799379 O\n0.231090 0.420246 0.413748 O\n0.774147 0.429747 0.294812 O\n0.557663 0.321492 0.611084 O\n0.927279 0.302871 0.594057 O\n0.557308 0.306430 0.111418 O\n0.926832 0.304431 0.089806 O\n0.233733 0.142980 0.748252 O\n0.236559 0.148744 0.233690 O\n0.249594 0.106843 0.531197 O\n0.244842 0.099053 0.015965 O\n0.774492 0.099363 0.830431 O\n0.775745 0.097392 0.329978 O\n",
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"elements": [
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"formula_full": "Na6 Li6 Fe4 P4 C4 O28",
"formula_reduced": "Na3Li3Fe2P2(CO7)2",
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"energy": -370.21814457,
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"updated_at": "2021-11-28T01:34:50.013000Z",
"spacegroup": 1
},
{
"id": "mp-755665",
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"structure_string": "Na6 Li6 Fe4 P4 C4 O28\n1.0\n-0.100365 6.711164 0.030512\n0.163764 0.048227 10.220770\n8.721416 -0.131715 0.166141\nNa Li Fe P C O\n6 6 4 4 4 28\ndirect\n0.260855 0.380221 0.087617 Na\n0.260849 0.880732 0.087499 Na\n0.986690 0.125753 0.247577 Na\n0.987393 0.626333 0.248174 Na\n0.504735 0.373045 0.746519 Na\n0.504503 0.873961 0.746467 Na\n0.452955 0.110324 0.293683 Li\n0.452875 0.610523 0.294238 Li\n0.978755 0.378921 0.723375 Li\n0.978867 0.879698 0.722950 Li\n0.764019 0.121926 0.890925 Li\n0.763763 0.622031 0.891249 Li\n0.741424 0.890258 0.353247 Fe\n0.244680 0.610041 0.654173 Fe\n0.741457 0.390078 0.353327 Fe\n0.244424 0.110971 0.653013 Fe\n0.241694 0.355729 0.419466 P\n0.242002 0.855728 0.419844 P\n0.748309 0.144494 0.587954 P\n0.748468 0.644228 0.587981 P\n0.765034 0.365341 0.039038 C\n0.765094 0.865457 0.039128 C\n0.263341 0.137790 0.951208 C\n0.263978 0.637978 0.951953 C\n0.274061 0.145078 0.099311 O\n0.274620 0.645764 0.099936 O\n0.769258 0.489859 0.062031 O\n0.769327 0.990016 0.062087 O\n0.734068 0.283321 0.154496 O\n0.734458 0.783492 0.154588 O\n0.056761 0.392716 0.315724 O\n0.056826 0.892320 0.316058 O\n0.424276 0.412531 0.334389 O\n0.424326 0.912612 0.334332 O\n0.262563 0.202334 0.435494 O\n0.263366 0.702502 0.436472 O\n0.727621 0.087563 0.425057 O\n0.728130 0.587393 0.425086 O\n0.227280 0.409575 0.582326 O\n0.227429 0.910367 0.582312 O\n0.773740 0.296050 0.569791 O\n0.773072 0.795852 0.570055 O\n0.565373 0.113853 0.687910 O\n0.565513 0.612866 0.687795 O\n0.928614 0.084626 0.683899 O\n0.929117 0.584657 0.683974 O\n0.243671 0.242455 0.862361 O\n0.244507 0.742396 0.862596 O\n0.269224 0.025143 0.886223 O\n0.269679 0.525023 0.887478 O\n0.788599 0.318954 0.903809 O\n0.788361 0.819122 0.903800 O\n",
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"formula_full": "Na6 Li6 Fe4 P4 C4 O28",
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{
"id": "mp-771022",
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"structure_string": "Na6 Li6 Fe4 P4 C4 O28\n1.0\n0.119184 -6.513914 5.161495\n8.708286 -0.108191 -5.046549\n-0.006131 6.560355 5.222405\nNa Li Fe P C O\n6 6 4 4 4 28\ndirect\n0.287071 0.084046 0.557597 Na\n0.787305 0.084029 0.057424 Na\n0.255349 0.255473 0.253507 Na\n0.755113 0.255464 0.753502 Na\n0.206348 0.914130 0.949012 Na\n0.706193 0.914100 0.449153 Na\n0.021579 0.285822 0.488120 Li\n0.521381 0.285352 0.988628 Li\n0.487255 0.721622 0.012744 Li\n0.986985 0.721493 0.512810 Li\n0.255808 0.723910 0.235572 Li\n0.755810 0.724021 0.735849 Li\n0.694923 0.349907 0.440235 Fe\n0.809660 0.654453 0.058452 Fe\n0.195074 0.350043 0.940181 Fe\n0.309625 0.654613 0.558165 Fe\n0.435703 0.424071 0.688256 P\n0.935795 0.424034 0.188361 P\n0.063813 0.581956 0.807331 P\n0.563731 0.581890 0.307328 P\n0.010515 0.043418 0.761795 C\n0.510770 0.043578 0.261547 C\n0.486637 0.951996 0.746174 C\n0.986612 0.952015 0.246083 C\n0.059778 0.099500 0.337195 O\n0.559891 0.099446 0.837367 O\n0.153413 0.112204 0.907006 O\n0.653380 0.112193 0.406996 O\n0.949218 0.126315 0.695433 O\n0.449881 0.126613 0.195020 O\n0.525143 0.329474 0.581820 O\n0.025501 0.329689 0.082082 O\n0.356496 0.329877 0.788621 O\n0.856704 0.329946 0.288943 O\n0.280787 0.433318 0.552642 O\n0.780765 0.433123 0.052755 O\n0.938530 0.417421 0.668354 O\n0.438385 0.417383 0.168233 O\n0.571516 0.587579 0.821881 O\n0.071285 0.587641 0.321804 O\n0.210799 0.576874 0.957184 O\n0.710635 0.576837 0.457336 O\n0.152643 0.678859 0.714785 O\n0.652855 0.678833 0.215011 O\n0.956586 0.669195 0.893310 O\n0.456576 0.669335 0.393114 O\n0.552745 0.863841 0.797141 O\n0.052910 0.864031 0.297247 O\n0.344676 0.889754 0.601152 O\n0.844626 0.889646 0.101063 O\n0.432643 0.894885 0.184108 O\n0.932571 0.894750 0.684566 O\n",
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"formula_full": "Na6 Li6 Fe4 P4 C4 O28",
"formula_reduced": "Na3Li3Fe2P2(CO7)2",
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{
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"formula_full": "Na4 Li8 Fe4 P4 C4 O28",
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"formula_full": "Na8 Li4 Fe4 P4 C4 O28",
"formula_reduced": "Na2LiFePCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -362.65266787,
"energy_per_atom": -6.97408976673077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -334.39266787,
"band_gap": 3.2019,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.9918419,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.718000Z",
"spacegroup": 1
}
]
}