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{
"id": "mp-849415",
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"structure_string": "Li8 Fe8 P16 O56\n1.0\n9.731300 0.000000 0.000000\n0.057056 9.808723 0.000000\n2.223009 0.058679 10.917103\nLi Fe P O\n8 8 16 56\ndirect\n0.090372 0.892021 0.973007 Li\n0.405115 0.392790 0.029301 Li\n0.385413 0.794913 0.456581 Li\n0.590267 0.603422 0.970709 Li\n0.647803 0.905518 0.950677 Li\n0.910010 0.109607 0.028024 Li\n0.842029 0.422662 0.528453 Li\n0.885589 0.716382 0.452752 Li\n0.210644 0.086990 0.335257 Fe\n0.247659 0.796778 0.176036 Fe\n0.252340 0.290187 0.825460 Fe\n0.290330 0.574575 0.668299 Fe\n0.704086 0.410110 0.321495 Fe\n0.750348 0.704418 0.176656 Fe\n0.753173 0.211624 0.823722 Fe\n0.789971 0.928204 0.664413 Fe\n0.023080 0.553536 0.249369 P\n0.115317 0.287890 0.118444 P\n0.061013 0.077652 0.762110 P\n0.122545 0.854649 0.574168 P\n0.377913 0.355839 0.428406 P\n0.436734 0.575305 0.238768 P\n0.526574 0.943073 0.245432 P\n0.382906 0.789195 0.881050 P\n0.613579 0.206320 0.115671 P\n0.475613 0.055318 0.746643 P\n0.561432 0.423961 0.762502 P\n0.621795 0.647587 0.576843 P\n0.877931 0.142626 0.426061 P\n0.936544 0.926003 0.238121 P\n0.884833 0.712742 0.883920 P\n0.975987 0.447261 0.753842 P\n0.016274 0.578708 0.382941 O\n0.032409 0.148782 0.433307 O\n0.088420 0.915944 0.264089 O\n0.103811 0.413329 0.213930 O\n0.107700 0.660018 0.162162 O\n0.182019 0.175341 0.184397 O\n0.221083 0.335886 0.999921 O\n0.025896 0.739446 0.909314 O\n0.124523 0.941851 0.695263 O\n0.059383 0.059312 0.896342 O\n0.128764 0.463754 0.779051 O\n0.188775 0.717732 0.597889 O\n0.156306 0.196786 0.710853 O\n0.214120 0.925491 0.465040 O\n0.293574 0.435435 0.534533 O\n0.345812 0.697659 0.294444 O\n0.320660 0.216831 0.404183 O\n0.372579 0.960073 0.220423 O\n0.369259 0.441338 0.303266 O\n0.436022 0.564597 0.104314 O\n0.473371 0.237088 0.088715 O\n0.276455 0.835526 0.999457 O\n0.326720 0.670712 0.817007 O\n0.394150 0.912047 0.784350 O\n0.411058 0.411426 0.734654 O\n0.394483 0.156963 0.841813 O\n0.469581 0.659664 0.561701 O\n0.534264 0.900435 0.372254 O\n0.478380 0.082496 0.616031 O\n0.535422 0.350103 0.429420 O\n0.614332 0.849616 0.144028 O\n0.590583 0.585298 0.264509 O\n0.601227 0.088615 0.218863 O\n0.684596 0.321627 0.173126 O\n0.717354 0.147279 0.998645 O\n0.525110 0.767333 0.912303 O\n0.563054 0.431950 0.897085 O\n0.620389 0.566342 0.703725 O\n0.628050 0.034998 0.783016 O\n0.688839 0.784613 0.595562 O\n0.666142 0.312878 0.703366 O\n0.719225 0.566155 0.476891 O\n0.790051 0.065424 0.532856 O\n0.844576 0.804243 0.295500 O\n0.820939 0.286352 0.405251 O\n0.869435 0.539287 0.220022 O\n0.931402 0.936074 0.104384 O\n0.867590 0.061164 0.302219 O\n0.973768 0.260099 0.093128 O\n0.776183 0.664945 0.001762 O\n0.813305 0.830827 0.825100 O\n0.893142 0.343198 0.846245 O\n0.893089 0.590252 0.787945 O\n0.908179 0.089164 0.734943 O\n0.967008 0.840136 0.566125 O\n0.970807 0.421065 0.623738 O\n",
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"formula_full": "Li8 Fe8 P16 O56",
"formula_reduced": "LiFeP2O7",
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"energy": -662.01981016,
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"updated_at": "2021-11-28T01:35:04.558000Z",
"spacegroup": 1
},
{
"id": "mp-849416",
"created_at": "2022-09-04T14:46:28.997951Z",
"structure_string": "Li4 Fe2 Cu3 O10\n1.0\n5.021022 0.000000 0.000000\n-1.565722 5.274239 0.000000\n-1.729753 -2.210359 7.120446\nLi Fe Cu O\n4 2 3 10\ndirect\n0.217948 0.904324 0.397915 Li\n0.393637 0.294467 0.771536 Li\n0.606363 0.705533 0.228464 Li\n0.782052 0.095676 0.602085 Li\n0.094069 0.678119 0.686846 Fe\n0.905931 0.321881 0.313154 Fe\n0.000000 0.500000 0.000000 Cu\n0.696089 0.891478 0.902135 Cu\n0.303911 0.108522 0.097865 Cu\n0.050973 0.053106 0.854360 O\n0.337964 0.657799 0.916470 O\n0.112726 0.309448 0.537530 O\n0.449791 0.915454 0.685171 O\n0.211728 0.518987 0.236745 O\n0.788272 0.481013 0.763255 O\n0.550209 0.084546 0.314829 O\n0.887274 0.690552 0.462470 O\n0.662036 0.342201 0.083530 O\n0.949027 0.946894 0.145640 O\n",
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"formula_full": "Li4 Fe2 Cu3 O10",
"formula_reduced": "Li4Fe2Cu3O10",
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},
{
"id": "mp-849418",
"created_at": "2022-09-04T14:45:30.082055Z",
"structure_string": "Li6 V6 Cr4 O20\n1.0\n-0.925679 5.028587 -0.156181\n-2.391562 1.993740 7.182809\n10.332647 -0.061406 0.241749\nLi V Cr O\n6 6 4 20\ndirect\n0.999997 0.499999 0.249998 Li\n0.000002 0.500003 0.750004 Li\n0.508058 0.426892 0.105405 Li\n0.508067 0.426866 0.605403 Li\n0.491932 0.573133 0.394600 Li\n0.491940 0.573108 0.894597 Li\n0.500001 0.000000 0.500000 V\n0.994474 0.881969 0.340842 V\n0.005530 0.118033 0.659157 V\n0.500003 0.999994 0.999999 V\n0.994457 0.881922 0.840850 V\n0.005543 0.118083 0.159147 V\n0.012259 0.691031 0.052532 Cr\n0.987734 0.308969 0.947472 Cr\n0.012252 0.691042 0.552485 Cr\n0.987748 0.308958 0.447506 Cr\n0.233710 0.862919 0.015360 O\n0.233686 0.862920 0.515375 O\n0.766311 0.137080 0.484625 O\n0.766287 0.137080 0.984642 O\n0.801708 0.940023 0.163133 O\n0.801677 0.940019 0.663126 O\n0.198325 0.059980 0.336875 O\n0.198293 0.059979 0.836870 O\n0.779146 0.532308 0.057483 O\n0.779144 0.532326 0.557493 O\n0.220862 0.467671 0.442502 O\n0.220850 0.467693 0.942520 O\n0.247389 0.221015 0.112035 O\n0.247372 0.221000 0.612047 O\n0.752632 0.778999 0.387951 O\n0.752615 0.778983 0.887965 O\n0.205864 0.672351 0.236017 O\n0.205852 0.672362 0.736010 O\n0.794144 0.327642 0.263989 O\n0.794135 0.327649 0.763984 O\n",
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"elements": [
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"formula_full": "Li6 V6 Cr4 O20",
"formula_reduced": "Li3V3Cr2O10",
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"energy": -289.22935343,
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},
{
"id": "mp-849419",
"created_at": "2022-09-04T14:42:17.194364Z",
"structure_string": "Fe10 O9 F11\n1.0\n15.380276 0.000000 0.000000\n0.000000 4.788389 0.000000\n0.000000 0.286563 4.783434\nFe O F\n10 9 11\ndirect\n0.402902 0.006896 0.992908 Fe\n0.597098 0.006896 0.992908 Fe\n0.804898 0.958335 0.022831 Fe\n0.000000 0.010367 0.943685 Fe\n0.195102 0.958335 0.022831 Fe\n0.500000 0.501845 0.498135 Fe\n0.897722 0.527550 0.532044 Fe\n0.689602 0.507394 0.483546 Fe\n0.102278 0.527550 0.532044 Fe\n0.310398 0.507394 0.483546 Fe\n0.899641 0.810416 0.807974 O\n0.100359 0.810416 0.807974 O\n0.401382 0.704000 0.293507 O\n0.598618 0.704000 0.293507 O\n0.799411 0.678617 0.319210 O\n0.200589 0.678617 0.319210 O\n0.398802 0.305105 0.691743 O\n0.601198 0.305105 0.691743 O\n0.000000 0.323414 0.676814 O\n0.500000 0.801013 0.790301 F\n0.705116 0.800407 0.807459 F\n0.294884 0.800407 0.807459 F\n0.000000 0.714251 0.296898 F\n0.799184 0.292201 0.713354 F\n0.200816 0.292201 0.713354 F\n0.500000 0.209344 0.197985 F\n0.901244 0.191090 0.189360 F\n0.707021 0.187870 0.194158 F\n0.292979 0.187870 0.194158 F\n0.098756 0.191090 0.189360 F\n",
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"formula_full": "Fe10 O9 F11",
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},
{
"id": "mp-849420",
"created_at": "2022-09-04T14:41:01.682135Z",
"structure_string": "Li2 Mn3 Cu1 O8\n1.0\n5.926846 0.052834 0.037360\n3.009179 5.106382 0.037360\n3.009179 1.737351 4.801891\nLi Mn Cu O\n2 3 1 8\ndirect\n0.119720 0.119720 0.119720 Li\n0.497211 0.497211 0.497211 Li\n0.005564 0.499419 0.499419 Mn\n0.499419 0.005564 0.499419 Mn\n0.499419 0.499419 0.005564 Mn\n0.884084 0.884084 0.884084 Cu\n0.262857 0.262857 0.262857 O\n0.250474 0.250474 0.710384 O\n0.250474 0.710384 0.250474 O\n0.710384 0.250474 0.250474 O\n0.289511 0.745792 0.745792 O\n0.745792 0.289511 0.745792 O\n0.745792 0.745792 0.289511 O\n0.739299 0.739299 0.739299 O\n",
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"formula_full": "Li2 Mn3 Cu1 O8",
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"energy": -100.63908655,
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"spacegroup": 160
},
{
"id": "mp-849421",
"created_at": "2022-09-04T14:42:50.819693Z",
"structure_string": "Li4 V8 P12 O48\n1.0\n8.570744 0.000000 0.000000\n0.000000 8.536845 0.000000\n0.000000 8.505916 12.129961\nLi V P O\n4 8 12 48\ndirect\n0.088653 0.227965 0.703091 Li\n0.588653 0.772035 0.796909 Li\n0.411347 0.227965 0.203091 Li\n0.911347 0.772035 0.296909 Li\n0.032424 0.857081 0.888844 V\n0.532424 0.142919 0.611156 V\n0.968799 0.359002 0.383428 V\n0.468799 0.640998 0.116572 V\n0.531201 0.359002 0.883428 V\n0.031201 0.640998 0.616572 V\n0.467576 0.857081 0.388844 V\n0.967576 0.142919 0.111156 V\n0.247551 0.471390 0.494604 P\n0.390950 0.035693 0.853839 P\n0.109011 0.748239 0.144529 P\n0.890950 0.964307 0.646161 P\n0.609011 0.251761 0.355471 P\n0.747551 0.528610 0.005396 P\n0.252449 0.471390 0.994604 P\n0.390989 0.748239 0.644529 P\n0.109050 0.035693 0.353839 P\n0.890989 0.251761 0.855471 P\n0.609050 0.964307 0.146161 P\n0.752449 0.528610 0.505396 P\n0.866895 0.514125 0.429821 O\n0.896944 0.057041 0.869104 O\n0.675712 0.333621 0.591772 O\n0.577632 0.765668 0.170491 O\n0.362707 0.315059 0.575772 O\n0.430365 0.873163 0.972365 O\n0.213515 0.035763 0.830652 O\n0.998144 0.614819 0.241580 O\n0.277211 0.667910 0.171929 O\n0.160004 0.401648 0.432987 O\n0.054537 0.768194 0.040205 O\n0.492703 0.012659 0.775165 O\n0.992703 0.987341 0.724835 O\n0.554537 0.231806 0.459795 O\n0.660004 0.598352 0.067013 O\n0.777211 0.332090 0.328071 O\n0.713515 0.964237 0.669348 O\n0.930365 0.126837 0.527635 O\n0.498144 0.385181 0.258420 O\n0.862707 0.684941 0.924228 O\n0.175712 0.666379 0.908228 O\n0.396944 0.942959 0.630896 O\n0.077632 0.234332 0.329509 O\n0.366895 0.485875 0.070179 O\n0.633105 0.514125 0.929821 O\n0.922368 0.765668 0.670491 O\n0.603056 0.057041 0.369104 O\n0.824288 0.333621 0.091772 O\n0.137293 0.315059 0.075772 O\n0.501856 0.614819 0.741580 O\n0.069635 0.873163 0.472365 O\n0.286485 0.035763 0.330652 O\n0.222789 0.667910 0.671929 O\n0.339996 0.401648 0.932987 O\n0.445463 0.768194 0.540205 O\n0.007297 0.012659 0.275165 O\n0.507297 0.987341 0.224835 O\n0.945463 0.231806 0.959795 O\n0.839996 0.598352 0.567013 O\n0.722789 0.332090 0.828071 O\n0.001856 0.385181 0.758420 O\n0.786485 0.964237 0.169348 O\n0.569635 0.126837 0.027635 O\n0.637293 0.684941 0.424228 O\n0.422368 0.234332 0.829509 O\n0.324288 0.666379 0.408228 O\n0.103056 0.942959 0.130896 O\n0.133105 0.485875 0.570179 O\n",
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},
{
"id": "mp-849422",
"created_at": "2022-09-04T14:39:07.655761Z",
"structure_string": "Li4 Cr3 Co3 W2 O16\n1.0\n2.975783 5.142443 0.000000\n-2.975783 5.142443 0.000000\n0.000000 0.082612 9.673368\nLi Cr Co W O\n4 3 3 2 16\ndirect\n0.670841 0.670841 0.090938 Li\n0.997165 0.997165 0.013444 Li\n0.997326 0.997326 0.506692 Li\n0.335122 0.335122 0.596593 Li\n0.336279 0.831245 0.786932 Cr\n0.831245 0.336279 0.786932 Cr\n0.172013 0.172013 0.286019 Cr\n0.827927 0.827927 0.786243 Co\n0.175413 0.657898 0.285567 Co\n0.657898 0.175413 0.285567 Co\n0.669404 0.669404 0.512814 W\n0.333077 0.333077 0.013396 W\n0.348969 0.841336 0.416287 O\n0.520819 0.520819 0.658024 O\n0.668648 0.668648 0.887727 O\n0.994817 0.994817 0.694511 O\n0.999780 0.999780 0.201116 O\n0.841336 0.348969 0.416287 O\n0.526984 0.957869 0.662725 O\n0.957869 0.526984 0.662725 O\n0.167400 0.167400 0.902503 O\n0.828417 0.828417 0.421100 O\n0.038163 0.466292 0.145366 O\n0.466292 0.038163 0.145366 O\n0.334298 0.334298 0.391085 O\n0.157375 0.660146 0.903421 O\n0.482962 0.482962 0.129350 O\n0.660146 0.157375 0.903421 O\n",
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"formula_full": "Li4 Cr3 Co3 W2 O16",
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