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{
"id": "mp-780717",
"created_at": "2022-09-04T14:46:10.163637Z",
"structure_string": "Li8 Mn7 Nb1 P12 O48\n1.0\n8.562295 0.000000 0.000000\n-0.138333 8.785067 0.000000\n-0.100546 -0.015575 12.266879\nLi Mn Nb P O\n8 7 1 12 48\ndirect\n0.217708 0.722034 0.181474 Li\n0.219550 0.780978 0.818824 Li\n0.278761 0.222901 0.316545 Li\n0.279704 0.275702 0.683986 Li\n0.719297 0.727573 0.314819 Li\n0.721738 0.784917 0.683033 Li\n0.779442 0.222234 0.182555 Li\n0.783694 0.276241 0.827240 Li\n0.250247 0.962588 0.612348 Mn\n0.250907 0.538415 0.386939 Mn\n0.251475 0.038138 0.112617 Mn\n0.251701 0.462905 0.888933 Mn\n0.748848 0.539165 0.112806 Mn\n0.749711 0.963773 0.888907 Mn\n0.747966 0.035714 0.386065 Mn\n0.753125 0.460406 0.614079 Nb\n0.040491 0.243803 0.495498 P\n0.464794 0.750553 0.001127 P\n0.533913 0.254324 0.001099 P\n0.970757 0.750295 0.496796 P\n0.105045 0.394845 0.142517 P\n0.106010 0.104678 0.857433 P\n0.390741 0.606066 0.651099 P\n0.395016 0.897353 0.350804 P\n0.602635 0.098474 0.646999 P\n0.600260 0.396486 0.350825 P\n0.900372 0.605980 0.853170 P\n0.894670 0.896646 0.144654 P\n0.064110 0.639669 0.428064 O\n0.062447 0.856298 0.573633 O\n0.077706 0.897356 0.155299 O\n0.081054 0.601499 0.840190 O\n0.141317 0.165446 0.581616 O\n0.142329 0.334289 0.416250 O\n0.152678 0.434084 0.024898 O\n0.155056 0.064586 0.974249 O\n0.158826 0.231490 0.176245 O\n0.160096 0.269133 0.823743 O\n0.177436 0.513892 0.219903 O\n0.173969 0.987711 0.779005 O\n0.324688 0.017443 0.270180 O\n0.325037 0.483122 0.731120 O\n0.341701 0.766637 0.683700 O\n0.341853 0.735403 0.317968 O\n0.344120 0.558856 0.536812 O\n0.344220 0.942606 0.464305 O\n0.355917 0.838623 0.080554 O\n0.354224 0.660887 0.920173 O\n0.421859 0.101280 0.657522 O\n0.419413 0.398987 0.346059 O\n0.439092 0.144770 0.074255 O\n0.438571 0.360083 0.926110 O\n0.558026 0.643894 0.073868 O\n0.558495 0.857531 0.927223 O\n0.575672 0.601280 0.659534 O\n0.577241 0.899558 0.341725 O\n0.639460 0.342724 0.084047 O\n0.639582 0.170823 0.921398 O\n0.654355 0.061229 0.532907 O\n0.651292 0.429033 0.474166 O\n0.653582 0.237687 0.319297 O\n0.658396 0.265748 0.678893 O\n0.674242 0.521884 0.283101 O\n0.674511 0.986051 0.728820 O\n0.825464 0.014356 0.223231 O\n0.831492 0.480645 0.770613 O\n0.841891 0.732902 0.177498 O\n0.845653 0.761817 0.815009 O\n0.847368 0.561013 0.964941 O\n0.847030 0.935436 0.028181 O\n0.860276 0.656644 0.578568 O\n0.856947 0.830161 0.420948 O\n0.923864 0.104749 0.847351 O\n0.923928 0.395332 0.152690 O\n0.938338 0.137035 0.426752 O\n0.936593 0.355131 0.564199 O\n",
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"volume_molar": 7.311502893981541,
"formula_full": "Li8 Mn7 Nb1 P12 O48",
"formula_reduced": "Li8Mn7Nb(PO4)12",
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"updated_at": "2021-11-28T01:37:22.549000Z",
"spacegroup": 1
},
{
"id": "mp-556083",
"created_at": "2022-09-04T14:46:10.197534Z",
"structure_string": "As8 H12 C4 F36\n1.0\n9.153212 0.000000 0.000000\n0.000000 8.056567 0.000000\n0.000000 6.655479 10.813301\nAs H C F\n8 12 4 36\ndirect\n0.801796 0.195515 0.044862 As\n0.151505 0.352696 0.396118 As\n0.651505 0.647304 0.103882 As\n0.348495 0.352696 0.896118 As\n0.848495 0.647304 0.603882 As\n0.198204 0.804485 0.955138 As\n0.698204 0.195515 0.544862 As\n0.301796 0.804485 0.455138 As\n0.138746 0.030554 0.586953 H\n0.861254 0.969446 0.413047 H\n0.299861 0.170563 0.582151 H\n0.200139 0.170563 0.082151 H\n0.618846 0.770864 0.883378 H\n0.118846 0.229136 0.616622 H\n0.361254 0.030554 0.086953 H\n0.881154 0.770864 0.383378 H\n0.638746 0.969446 0.913047 H\n0.381154 0.229136 0.116622 H\n0.799861 0.829437 0.917849 H\n0.700139 0.829437 0.417849 H\n0.318886 0.169246 0.070365 C\n0.181114 0.169246 0.570365 C\n0.818886 0.830754 0.429635 C\n0.681114 0.830754 0.929635 C\n0.282888 0.878533 0.812144 F\n0.305416 0.466161 0.315270 F\n0.717112 0.121467 0.187856 F\n0.920979 0.725822 0.693825 F\n0.733476 0.444483 0.494906 F\n0.233476 0.555517 0.005094 F\n0.037467 0.543227 0.359212 F\n0.880216 0.269718 0.900596 F\n0.619784 0.269718 0.400596 F\n0.766524 0.444483 0.994906 F\n0.625405 0.183808 0.985147 F\n0.170266 0.053774 0.907559 F\n0.420979 0.274178 0.806175 F\n0.380216 0.730282 0.599404 F\n0.027386 0.796485 0.894049 F\n0.329734 0.053774 0.407559 F\n0.782888 0.121467 0.687856 F\n0.527386 0.203515 0.605951 F\n0.670266 0.946226 0.592441 F\n0.119784 0.730282 0.099404 F\n0.079021 0.274178 0.306175 F\n0.829734 0.946226 0.092441 F\n0.374595 0.816192 0.014853 F\n0.579021 0.725822 0.193825 F\n0.194584 0.466161 0.815270 F\n0.962533 0.456773 0.640788 F\n0.462533 0.543227 0.859212 F\n0.972614 0.203515 0.105951 F\n0.266524 0.555517 0.505094 F\n0.805416 0.533839 0.184730 F\n0.694584 0.533839 0.684730 F\n0.874595 0.183808 0.485147 F\n0.537467 0.456773 0.140788 F\n0.125405 0.816192 0.514853 F\n0.472614 0.796485 0.394049 F\n0.217112 0.878533 0.312144 F\n",
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"spacegroup": 14
},
{
"id": "mp-1312267",
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"structure_string": "Li6 Co8 O16\n1.0\n2.841901 4.983248 0.016307\n-2.873431 -1.611155 9.787532\n5.738869 -0.031582 -0.007657\nLi Co O\n6 8 16\ndirect\n0.509695 0.007541 0.998204 Li\n0.990306 0.492459 0.501797 Li\n0.000585 0.005100 0.502358 Li\n0.499417 0.494902 0.997642 Li\n0.505113 0.001603 0.499653 Li\n0.994887 0.498397 0.000346 Li\n0.749999 0.250000 0.750000 Co\n0.250000 0.750000 0.250000 Co\n0.250001 0.750000 0.750000 Co\n0.750001 0.750000 0.749999 Co\n0.750000 0.750000 0.249999 Co\n0.750000 0.250000 0.250000 Co\n0.250001 0.250000 0.249999 Co\n0.250001 0.250000 0.749999 Co\n0.377989 0.133272 0.376154 O\n0.858810 0.636942 0.899609 O\n0.122009 0.366728 0.123848 O\n0.641197 0.863058 0.600389 O\n0.876913 0.141166 0.390500 O\n0.372158 0.647305 0.888418 O\n0.105163 0.360334 0.629002 O\n0.607103 0.854514 0.137387 O\n0.876001 0.139318 0.872854 O\n0.387514 0.650327 0.379629 O\n0.623995 0.360682 0.627146 O\n0.112484 0.849672 0.120374 O\n0.394833 0.139666 0.870996 O\n0.892893 0.645488 0.362617 O\n0.623088 0.358834 0.109500 O\n0.127843 0.852694 0.611579 O\n",
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{
"id": "mp-1233988",
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"structure_string": "Mg1 Fe10 O16 F4\n1.0\n-4.945128 0.073142 0.008186\n-0.128652 9.413667 -8.853472\n0.076560 -4.737017 -2.982411\nMg Fe O F\n1 10 16 4\ndirect\n0.496279 0.304600 0.595812 Mg\n0.504925 0.995903 0.510527 Fe\n0.513914 0.428870 0.240759 Fe\n0.420585 0.191617 0.940229 Fe\n0.523736 0.608290 0.681141 Fe\n0.530602 0.804273 0.099766 Fe\n0.987948 0.402584 0.777434 Fe\n0.004227 0.804676 0.620227 Fe\n0.008888 0.188474 0.428083 Fe\n0.986501 0.605663 0.208374 Fe\n0.020830 0.991224 0.029066 Fe\n0.833202 0.254069 0.721064 O\n0.830270 0.865460 0.941186 O\n0.831633 0.665408 0.527679 O\n0.830738 0.056067 0.342224 O\n0.831874 0.464238 0.100036 O\n0.653634 0.453051 0.597791 O\n0.686015 0.663638 0.018240 O\n0.692676 0.856973 0.427548 O\n0.336287 0.341438 0.942401 O\n0.332180 0.746632 0.789878 O\n0.345774 0.145523 0.588739 O\n0.333685 0.935496 0.191984 O\n0.315977 0.556634 0.370125 O\n0.151411 0.135301 0.102358 O\n0.177927 0.946518 0.707990 O\n0.144044 0.328398 0.453976 O\n0.666304 0.060990 0.857341 F\n0.641596 0.259043 0.245572 F\n0.181783 0.545850 0.864301 F\n0.184558 0.747268 0.280529 F\n",
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],
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{
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"created_at": "2022-09-04T14:46:07.279143Z",
"structure_string": "Rb2 Ga6 P12 O40\n1.0\n5.076514 -6.638100 0.000000\n5.076514 6.638100 0.000000\n0.000000 0.000000 12.219339\nRb Ga P O\n2 6 12 40\ndirect\n0.473623 0.473623 0.000000 Rb\n0.526377 0.526377 0.500000 Rb\n0.706281 0.293720 0.750000 Ga\n0.864525 0.864525 0.000000 Ga\n0.293719 0.706280 0.250000 Ga\n0.243695 0.756305 0.750000 Ga\n0.756305 0.243695 0.250000 Ga\n0.135475 0.135475 0.500000 Ga\n0.149847 0.741127 0.487867 P\n0.697030 0.825643 0.223288 P\n0.093875 0.367379 0.817030 P\n0.906125 0.632621 0.317030 P\n0.174357 0.302970 0.276712 P\n0.632621 0.906125 0.682970 P\n0.850153 0.258873 0.987867 P\n0.302970 0.174357 0.723288 P\n0.258873 0.850153 0.012133 P\n0.825643 0.697030 0.776712 P\n0.367379 0.093875 0.182970 P\n0.741127 0.149847 0.512133 P\n0.949594 0.334066 0.739691 O\n0.749428 0.737616 0.886486 O\n0.010345 0.730992 0.790559 O\n0.210365 0.172238 0.186254 O\n0.768001 0.476069 0.301480 O\n0.172238 0.210365 0.813746 O\n0.034787 0.362357 0.942592 O\n0.637643 0.965213 0.557408 O\n0.678652 0.161367 0.397352 O\n0.728726 0.531077 0.732833 O\n0.723820 0.304332 0.912022 O\n0.922838 0.146300 0.521810 O\n0.362357 0.034787 0.057408 O\n0.523931 0.231999 0.198520 O\n0.146300 0.922838 0.478190 O\n0.531077 0.728726 0.267167 O\n0.853700 0.077162 0.978190 O\n0.269008 0.989655 0.709441 O\n0.321348 0.838633 0.897352 O\n0.077162 0.853700 0.021810 O\n0.250572 0.262384 0.386486 O\n0.695668 0.276180 0.587978 O\n0.838633 0.321348 0.102648 O\n0.827762 0.789635 0.313746 O\n0.050406 0.665934 0.239691 O\n0.730992 0.010345 0.209441 O\n0.231999 0.523931 0.801480 O\n0.262384 0.250572 0.613514 O\n0.304332 0.723820 0.087978 O\n0.334066 0.949594 0.260309 O\n0.476069 0.768001 0.698520 O\n0.789635 0.827762 0.686254 O\n0.271274 0.468923 0.232833 O\n0.161367 0.678652 0.602648 O\n0.276180 0.695668 0.412022 O\n0.665934 0.050406 0.760309 O\n0.989655 0.269008 0.290559 O\n0.965213 0.637643 0.442592 O\n0.468923 0.271274 0.767167 O\n0.737616 0.749428 0.113514 O\n",
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{
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"structure_string": "Co6 O7 F5\n1.0\n3.060948 3.240888 0.000000\n-3.060948 3.240888 0.000000\n0.000000 0.026940 8.954909\nCo O F\n6 7 5\ndirect\n0.992178 0.997777 0.676093 Co\n0.023958 0.976042 0.000000 Co\n0.002223 0.007822 0.323907 Co\n0.518458 0.527880 0.828857 Co\n0.497262 0.502738 0.500000 Co\n0.472120 0.481542 0.171143 Co\n0.184531 0.183136 0.162246 O\n0.311647 0.688353 0.000000 O\n0.317479 0.711026 0.668612 O\n0.288974 0.682521 0.331388 O\n0.678197 0.296908 0.332847 O\n0.703092 0.321803 0.667153 O\n0.816864 0.815469 0.837754 O\n0.225586 0.228882 0.834779 F\n0.189977 0.196506 0.507868 F\n0.702843 0.297157 0.000000 F\n0.803494 0.810023 0.492132 F\n0.771118 0.774414 0.165221 F\n",
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{
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"structure_string": "Ca2 Pr2 Fe4 O12\n1.0\n5.477646 0.000000 0.000000\n0.000000 5.540564 0.000000\n0.000000 0.000000 7.763422\nCa Pr Fe O\n2 2 4 12\ndirect\n0.491121 0.208295 0.000000 Ca\n0.991121 0.791705 0.500000 Ca\n0.009871 0.708995 0.000000 Pr\n0.509871 0.291005 0.500000 Pr\n0.000501 0.247940 0.750328 Fe\n0.000501 0.247940 0.249672 Fe\n0.500501 0.752060 0.250328 Fe\n0.500501 0.752060 0.749672 Fe\n0.077576 0.230712 0.500000 O\n0.214063 0.962989 0.790814 O\n0.214063 0.962989 0.209186 O\n0.286322 0.462831 0.206672 O\n0.286322 0.462831 0.793328 O\n0.419671 0.731767 0.500000 O\n0.577576 0.769288 0.000000 O\n0.714063 0.037011 0.709186 O\n0.714063 0.037011 0.290814 O\n0.786322 0.537169 0.706672 O\n0.786322 0.537169 0.293328 O\n0.919671 0.268233 0.000000 O\n",
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