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{
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"results": [
{
"id": "mp-1040983",
"created_at": "2022-09-04T14:48:18.403559Z",
"structure_string": "V12 Zn6 O24\n1.0\n3.034184 -5.255362 0.000000\n3.034184 5.255362 0.000000\n0.000000 0.000000 14.877839\nV Zn O\n12 6 24\ndirect\n0.164720 0.835280 0.833425 V\n0.164720 0.329440 0.833425 V\n0.498859 0.501141 0.499932 V\n0.670560 0.835280 0.833425 V\n0.498859 0.997719 0.499932 V\n0.666667 0.333333 0.334566 V\n0.666667 0.333333 0.709354 V\n0.832652 0.167348 0.167397 V\n0.002281 0.501141 0.499932 V\n0.832652 0.665305 0.167397 V\n0.334695 0.167348 0.167397 V\n0.333333 0.666667 0.042070 V\n0.666667 0.333333 0.954468 Zn\n0.000000 0.000000 0.619762 Zn\n0.333333 0.666667 0.665149 Zn\n0.333333 0.666667 0.293065 Zn\n0.000000 0.000000 0.999206 Zn\n0.000000 0.000000 0.376480 Zn\n0.844829 0.155171 0.910750 O\n0.000000 0.000000 0.759672 O\n0.844829 0.689658 0.910750 O\n0.310342 0.155171 0.910750 O\n0.177703 0.822297 0.574909 O\n0.016460 0.508230 0.755595 O\n0.333333 0.666667 0.425775 O\n0.491770 0.983540 0.755595 O\n0.333333 0.666667 0.908160 O\n0.177703 0.355406 0.574909 O\n0.644594 0.822297 0.574909 O\n0.491770 0.508230 0.755595 O\n0.515007 0.484993 0.247943 O\n0.360351 0.180176 0.421390 O\n0.819824 0.639649 0.421390 O\n0.666667 0.333333 0.094799 O\n0.666667 0.333333 0.578013 O\n0.515007 0.030015 0.247943 O\n0.969985 0.484993 0.247943 O\n0.819824 0.180176 0.421390 O\n0.679066 0.839533 0.089868 O\n0.160467 0.320934 0.089868 O\n0.000000 0.000000 0.238299 O\n0.160467 0.839533 0.089868 O\n",
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},
{
"id": "mp-1245280",
"created_at": "2022-09-04T14:45:16.802620Z",
"structure_string": "Zn50 S50\n1.0\n13.914812 0.105078 -0.238380\n0.158710 13.519244 -0.087802\n-0.124309 -0.088309 12.457597\nZn S\n50 50\ndirect\n0.439148 0.926998 0.895360 Zn\n0.383654 0.272831 0.190732 Zn\n0.739653 0.201397 0.934944 Zn\n0.566194 0.280013 0.880522 Zn\n0.146889 0.149608 0.202897 Zn\n0.843025 0.290058 0.651587 Zn\n0.510522 0.913955 0.634423 Zn\n0.793329 0.184358 0.150359 Zn\n0.277666 0.105529 0.704073 Zn\n0.515227 0.717549 0.870768 Zn\n0.717941 0.440820 0.494093 Zn\n0.733921 0.926940 0.090495 Zn\n0.803719 0.619572 0.088983 Zn\n0.976224 0.051393 0.988751 Zn\n0.192847 0.655744 0.027635 Zn\n0.693438 0.449528 0.051698 Zn\n0.981103 0.114111 0.461614 Zn\n0.061499 0.772392 0.266202 Zn\n0.947998 0.024222 0.303693 Zn\n0.071739 0.941868 0.720233 Zn\n0.893642 0.287195 0.852723 Zn\n0.586644 0.298182 0.678364 Zn\n0.818570 0.470105 0.199393 Zn\n0.594300 0.165944 0.420555 Zn\n0.290706 0.082748 0.022326 Zn\n0.291298 0.708567 0.675053 Zn\n0.835195 0.808949 0.840135 Zn\n0.573516 0.791170 0.029560 Zn\n0.669704 0.038123 0.897020 Zn\n0.522426 0.138590 0.745848 Zn\n0.364433 0.868221 0.168110 Zn\n0.002814 0.388608 0.441813 Zn\n0.386904 0.752748 0.411913 Zn\n0.264715 0.310238 0.452804 Zn\n0.296145 0.032328 0.359952 Zn\n0.611056 0.771815 0.278823 Zn\n0.575976 0.383894 0.264192 Zn\n0.660820 0.712391 0.663947 Zn\n0.173878 0.218225 0.603321 Zn\n0.447212 0.502100 0.467141 Zn\n0.222838 0.493529 0.276425 Zn\n0.471776 0.535300 0.743092 Zn\n0.289400 0.365947 0.644279 Zn\n0.977953 0.596828 0.353657 Zn\n0.928766 0.134868 0.736540 Zn\n0.142905 0.773461 0.889993 Zn\n0.014497 0.622159 0.991684 Zn\n0.814105 0.511692 0.803788 Zn\n0.212550 0.411192 0.994686 Zn\n0.826799 0.894072 0.534420 Zn\n0.628296 0.008865 0.714545 S\n0.049043 0.021427 0.155711 S\n0.461006 0.158786 0.552465 S\n0.906915 0.210436 0.021817 S\n0.008478 0.262037 0.560219 S\n0.240029 0.246257 0.085827 S\n0.351949 0.397543 0.335365 S\n0.712449 0.763809 0.137375 S\n0.729425 0.328982 0.193086 S\n0.719602 0.379806 0.884547 S\n0.455566 0.406685 0.627486 S\n0.617302 0.600618 0.785732 S\n0.529588 0.221078 0.258245 S\n0.325439 0.581246 0.818165 S\n0.331445 0.628946 0.512025 S\n0.776013 0.036990 0.234453 S\n0.419974 0.813270 0.744902 S\n0.274644 0.534352 0.110666 S\n0.132654 0.782370 0.709306 S\n0.811026 0.773207 0.665066 S\n0.041672 0.449498 0.988700 S\n0.694518 0.270109 0.542780 S\n0.066477 0.078014 0.836118 S\n0.189709 0.165714 0.386278 S\n0.454625 0.741401 0.245558 S\n0.206911 0.931946 0.962170 S\n0.596458 0.511926 0.390042 S\n0.997979 0.755961 0.434900 S\n0.465760 0.350109 0.009044 S\n0.835070 0.463410 0.631415 S\n0.990529 0.419256 0.833359 S\n0.859952 0.648512 0.911901 S\n0.556758 0.772635 0.531486 S\n0.866182 0.471960 0.374443 S\n0.216641 0.808755 0.256092 S\n0.114956 0.506080 0.407893 S\n0.570097 0.971497 0.025098 S\n0.834326 0.948621 0.944000 S\n0.241794 0.453664 0.803942 S\n0.680430 0.786907 0.440910 S\n0.530585 0.467385 0.093221 S\n0.383662 0.088508 0.853101 S\n0.251869 0.871022 0.405749 S\n0.364270 0.034386 0.190125 S\n0.696448 0.026944 0.373674 S\n0.322370 0.831099 0.990290 S\n0.941310 0.003864 0.613280 S\n0.888428 0.848085 0.366497 S\n0.392586 0.023012 0.545564 S\n0.970965 0.661694 0.170064 S\n",
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"elements": [
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"volume": 2342.7832058435934,
"volume_molar": 14.108570235754172,
"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
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"energy": -332.46636342,
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"updated_at": "2021-11-28T01:36:57.592000Z",
"spacegroup": 1
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{
"id": "mp-849747",
"created_at": "2022-09-04T14:42:14.517631Z",
"structure_string": "Li1 Fe8 B8 O24\n1.0\n5.223158 0.000000 0.000000\n2.537220 4.596599 0.000000\n0.181975 0.127865 20.194942\nLi Fe B O\n1 8 8 24\ndirect\n0.669189 0.356151 0.078697 Li\n0.678623 0.980737 0.188345 Fe\n0.676562 0.993350 0.688453 Fe\n0.007884 0.685051 0.061209 Fe\n0.996937 0.672534 0.563797 Fe\n0.003369 0.326330 0.439356 Fe\n0.002177 0.326637 0.939023 Fe\n0.326956 0.004316 0.315099 Fe\n0.325554 0.001979 0.814014 Fe\n0.339243 0.004174 0.063836 B\n0.339491 0.002790 0.563572 B\n0.010396 0.331527 0.187787 B\n0.005224 0.336125 0.688294 B\n0.999252 0.661458 0.314311 B\n0.998034 0.656967 0.813318 B\n0.661765 0.995518 0.438898 B\n0.662690 0.995339 0.937816 B\n0.271111 0.122265 0.216775 O\n0.270380 0.125595 0.715497 O\n0.091114 0.255129 0.040316 O\n0.576878 0.033629 0.087926 O\n0.128682 0.268852 0.536618 O\n0.596359 0.989011 0.588175 O\n0.986699 0.594363 0.167224 O\n0.705507 0.228600 0.436977 O\n0.992518 0.593212 0.663593 O\n0.696435 0.236227 0.941039 O\n0.784861 0.275659 0.176982 O\n0.771793 0.292074 0.685683 O\n0.235036 0.702263 0.316445 O\n0.231122 0.702307 0.815713 O\n0.353756 0.740222 0.064663 O\n0.008826 0.405129 0.338482 O\n0.295106 0.770095 0.565015 O\n0.008554 0.400026 0.837060 O\n0.404101 0.009616 0.414393 O\n0.401137 0.015169 0.914170 O\n0.872415 0.729937 0.465712 O\n0.879954 0.727708 0.960066 O\n0.733477 0.876809 0.287810 O\n0.732362 0.869894 0.786262 O\n",
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"elements": [
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"density": 3.165124034860012,
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"volume": 484.85557303832553,
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"formula_full": "Li1 Fe8 B8 O24",
"formula_reduced": "LiFe8(BO3)8",
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{
"id": "mp-1175275",
"created_at": "2022-09-04T14:44:21.539157Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n-0.172399 -0.000006 5.192917\n-4.731217 8.581407 -2.103671\n-9.634577 0.000142 0.985603\nLi Mn Co O\n14 8 2 24\ndirect\n0.833284 0.166662 0.166674 Li\n0.333293 0.166674 0.666658 Li\n0.583220 0.666682 0.916691 Li\n0.083424 0.666645 0.416631 Li\n0.083303 0.166639 0.416701 Li\n0.583320 0.166712 0.916670 Li\n0.413195 0.326513 0.086775 Li\n0.913198 0.326560 0.586718 Li\n0.253325 0.006805 0.246623 Li\n0.753425 0.006809 0.746601 Li\n0.999441 0.498923 0.000548 Li\n0.499441 0.498919 0.500535 Li\n0.167206 0.834374 0.832794 Li\n0.667209 0.834380 0.332780 Li\n0.999622 0.999469 0.000224 Mn\n0.499850 0.999427 0.500305 Mn\n0.666879 0.333894 0.333044 Mn\n0.166866 0.333815 0.833097 Mn\n0.248201 0.496170 0.251871 Mn\n0.748006 0.496141 0.751893 Mn\n0.418565 0.837326 0.081341 Mn\n0.918650 0.837256 0.581440 Mn\n0.833365 0.666662 0.166666 Co\n0.333354 0.666627 0.666705 Co\n0.480517 0.166616 0.299494 O\n0.980516 0.166685 0.799464 O\n0.186161 0.166661 0.033906 O\n0.686150 0.166614 0.533921 O\n0.187169 0.666718 0.062203 O\n0.687100 0.666654 0.562247 O\n0.979565 0.666684 0.771084 O\n0.479531 0.666699 0.271057 O\n0.016483 0.339922 0.223115 O\n0.516452 0.339948 0.723143 O\n0.343162 0.993453 0.896308 O\n0.843194 0.993355 0.396391 O\n0.823508 0.339977 0.936940 O\n0.323536 0.339955 0.436914 O\n0.150285 0.993326 0.610233 O\n0.650273 0.993429 0.110170 O\n0.643827 0.499615 0.131665 O\n0.143815 0.499625 0.631695 O\n0.810829 0.833731 0.964617 O\n0.310841 0.833661 0.464677 O\n0.355839 0.499617 0.868743 O\n0.855818 0.499590 0.368708 O\n0.522908 0.833667 0.701686 O\n0.022889 0.833712 0.201636 O\n",
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"formula_full": "Li14 Mn8 Co2 O24",
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"updated_at": "2021-11-28T01:36:30.184000Z",
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{
"id": "mp-1516489",
"created_at": "2022-09-04T14:42:16.385491Z",
"structure_string": "Ba4 Ca4 Ce4 Nb4 O24\n1.0\n8.452413 0.000000 0.000000\n0.000000 8.508805 0.000000\n0.000000 0.000000 8.462914\nBa Ca Ce Nb O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.500000 Ba\n-0.000000 -0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 -0.000000 0.000000 Ca\n-0.000000 0.500000 0.000000 Ca\n0.748960 0.745341 0.755232 Ce\n0.251040 0.254659 0.755232 Ce\n0.251040 0.745341 0.244768 Ce\n0.748960 0.254659 0.244768 Ce\n0.247961 0.256992 0.245522 Nb\n0.752039 0.743008 0.245522 Nb\n0.752039 0.256992 0.754478 Nb\n0.247961 0.743008 0.754478 Nb\n0.014817 0.212376 0.271992 O\n0.985183 0.787624 0.271992 O\n0.985183 0.212376 0.728008 O\n0.014817 0.787624 0.728008 O\n0.293834 0.020484 0.199844 O\n0.293834 0.979516 0.800156 O\n0.706166 0.979516 0.199844 O\n0.706166 0.020484 0.800156 O\n0.200318 0.303686 0.014504 O\n0.799682 0.303686 0.985496 O\n0.200318 0.696314 0.985496 O\n0.799682 0.696314 0.014504 O\n0.482147 0.305287 0.202967 O\n0.517853 0.694713 0.202967 O\n0.517853 0.305287 0.797033 O\n0.482147 0.694713 0.797033 O\n0.204235 0.486834 0.300232 O\n0.204235 0.513166 0.699768 O\n0.795765 0.513166 0.300232 O\n0.795765 0.486834 0.699768 O\n0.282215 0.223311 0.481471 O\n0.717785 0.223311 0.518529 O\n0.282215 0.776689 0.518529 O\n0.717785 0.776689 0.481471 O\n",
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"formula_full": "Ba4 Ca4 Ce4 Nb4 O24",
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{
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"created_at": "2022-09-04T14:45:55.646703Z",
"structure_string": "Li3 Fe9 Si6 O24\n1.0\n5.090274 0.000000 0.000000\n-0.006851 8.896273 0.000000\n-2.454319 -4.245964 12.594369\nLi Fe Si O\n3 9 6 24\ndirect\n0.627804 0.901067 0.308102 Li\n0.510201 0.262457 0.140098 Li\n0.290984 0.982517 0.644322 Li\n0.002658 0.020216 0.003724 Fe\n0.740198 0.730995 0.512848 Fe\n0.786137 0.263656 0.816702 Fe\n0.711763 0.524483 0.657200 Fe\n0.077446 0.760695 0.162049 Fe\n0.391723 0.489694 0.959717 Fe\n0.301806 0.739582 0.807251 Fe\n0.127717 0.162162 0.462028 Fe\n0.058113 0.436430 0.312780 Fe\n0.968029 0.385899 0.066115 Si\n0.526635 0.866960 0.062005 Si\n0.804227 0.893208 0.747768 Si\n0.592514 0.334063 0.403468 Si\n0.185720 0.805631 0.403349 Si\n0.246139 0.366010 0.716116 Si\n0.997344 0.646869 0.397725 O\n0.904353 0.292824 0.380618 O\n0.977423 0.950711 0.407113 O\n0.855000 0.403488 0.176587 O\n0.978101 0.850558 0.652692 O\n0.663116 0.020763 0.041750 O\n0.705266 0.828834 0.163074 O\n0.618106 0.499441 0.502171 O\n0.467237 0.182283 0.426986 O\n0.710435 0.357905 0.969593 O\n0.595814 0.741709 0.730374 O\n0.404706 0.360596 0.297716 O\n0.572562 0.398188 0.737787 O\n0.629509 0.046790 0.757908 O\n0.413727 0.853002 0.510421 O\n0.315837 0.770334 0.297756 O\n0.227100 0.918919 0.091170 O\n0.152717 0.230973 0.045649 O\n0.158799 0.539471 0.074132 O\n0.473649 0.712380 0.953132 O\n0.144373 0.213087 0.608000 O\n0.170026 0.331166 0.820398 O\n0.113384 0.527725 0.702220 O\n0.028616 0.909184 0.859498 O\n",
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