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{
"id": "mp-778070",
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"structure_string": "Li4 Mn2 V2 P4 H4 O20\n1.0\n6.956336 0.000000 0.000000\n-3.422622 6.577497 0.000000\n-0.321251 -0.436866 8.033781\nLi Mn V P H O\n4 2 2 4 4 20\ndirect\n0.072818 0.822868 0.675921 Li\n0.428569 0.173313 0.825476 Li\n0.571431 0.826687 0.174524 Li\n0.927182 0.177132 0.324079 Li\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.478426 0.766323 0.843855 P\n0.022603 0.232064 0.658473 P\n0.977397 0.767936 0.341527 P\n0.521574 0.233677 0.156145 P\n0.789143 0.660546 0.848019 H\n0.289874 0.669879 0.351801 H\n0.710126 0.330121 0.648199 H\n0.210857 0.339454 0.151981 H\n0.324184 0.656615 0.982202 O\n0.113953 0.120167 0.773709 O\n0.381786 0.875504 0.732753 O\n0.687784 0.927229 0.942597 O\n0.181969 0.925280 0.443696 O\n0.535669 0.618447 0.741325 O\n0.183292 0.342598 0.521029 O\n0.031808 0.618908 0.239284 O\n0.942005 0.724520 0.896048 O\n0.444232 0.737078 0.395091 O\n0.555768 0.262922 0.604909 O\n0.057995 0.275480 0.103952 O\n0.968192 0.381092 0.760716 O\n0.816708 0.657402 0.478971 O\n0.464331 0.381553 0.258675 O\n0.818031 0.074720 0.556304 O\n0.312216 0.072771 0.057403 O\n0.618214 0.124496 0.267247 O\n0.886047 0.879833 0.226291 O\n0.675816 0.343385 0.017798 O\n",
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{
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"structure_string": "Ni2 H48 C4 S4 N12 O28\n1.0\n7.655757 0.000000 0.000000\n0.000000 10.061968 0.000000\n0.000000 1.479138 11.960280\nNi H C S N O\n2 48 4 4 12 28\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.806140 0.394165 0.461561 H\n0.306140 0.605835 0.038439 H\n0.193860 0.605835 0.538439 H\n0.693860 0.394165 0.961561 H\n0.831462 0.514480 0.536532 H\n0.331462 0.485520 0.963468 H\n0.168538 0.485520 0.463468 H\n0.668538 0.514480 0.036532 H\n0.487907 0.483716 0.727650 H\n0.987907 0.516284 0.772350 H\n0.512093 0.516284 0.272350 H\n0.012093 0.483716 0.227650 H\n0.628748 0.740160 0.489002 H\n0.128748 0.259840 0.010998 H\n0.371252 0.259840 0.510998 H\n0.871252 0.740160 0.989002 H\n0.540838 0.730188 0.371364 H\n0.040838 0.269812 0.128636 H\n0.459162 0.269812 0.628636 H\n0.959162 0.730188 0.871364 H\n0.661724 0.559560 0.679475 H\n0.161724 0.440440 0.820525 H\n0.338276 0.440440 0.320525 H\n0.838276 0.559560 0.179475 H\n0.715764 0.874509 0.778104 H\n0.215764 0.125491 0.721896 H\n0.284236 0.125491 0.221896 H\n0.784236 0.874509 0.278104 H\n0.610671 0.868278 0.907041 H\n0.110671 0.131722 0.592959 H\n0.389329 0.131722 0.092959 H\n0.889329 0.868278 0.407041 H\n0.330171 0.851737 0.622269 H\n0.830171 0.148263 0.877731 H\n0.669829 0.148263 0.377731 H\n0.169829 0.851737 0.122269 H\n0.554918 0.877702 0.615997 H\n0.054918 0.122298 0.884003 H\n0.445082 0.122298 0.384003 H\n0.945082 0.877702 0.115997 H\n0.309964 0.835396 0.914983 H\n0.809964 0.164604 0.585017 H\n0.690036 0.164604 0.085017 H\n0.190036 0.835396 0.414983 H\n0.183798 0.848242 0.791606 H\n0.683798 0.151758 0.708394 H\n0.816202 0.151758 0.208394 H\n0.316202 0.848242 0.291606 H\n0.448408 0.870638 0.770332 C\n0.948408 0.129362 0.729668 C\n0.551592 0.129362 0.229668 C\n0.051592 0.870638 0.270332 C\n0.062857 0.249038 0.371033 S\n0.562857 0.750962 0.128967 S\n0.937143 0.750962 0.628967 S\n0.437143 0.249038 0.871033 S\n0.601914 0.876962 0.821857 N\n0.101914 0.123038 0.678143 N\n0.398086 0.123038 0.178143 N\n0.898086 0.876962 0.321857 N\n0.440365 0.884850 0.658133 N\n0.940365 0.115150 0.841867 N\n0.559635 0.115150 0.341867 N\n0.059635 0.884850 0.158133 N\n0.301431 0.856055 0.830344 N\n0.801431 0.143945 0.669656 N\n0.698569 0.143945 0.169656 N\n0.198569 0.856055 0.330344 N\n0.765066 0.484505 0.473964 O\n0.265066 0.515495 0.026036 O\n0.234934 0.515495 0.526036 O\n0.734934 0.484505 0.973964 O\n0.538138 0.542051 0.663194 O\n0.038138 0.457949 0.836806 O\n0.461862 0.457949 0.336806 O\n0.961862 0.542051 0.163194 O\n0.524772 0.705617 0.452952 O\n0.024772 0.294383 0.047048 O\n0.475228 0.294383 0.547048 O\n0.975228 0.705617 0.952952 O\n0.891908 0.237435 0.430975 O\n0.391908 0.762565 0.069025 O\n0.108092 0.762565 0.569025 O\n0.608092 0.237435 0.930975 O\n0.048853 0.189546 0.264026 O\n0.548853 0.810454 0.235974 O\n0.951147 0.810454 0.735974 O\n0.451147 0.189546 0.764026 O\n0.202156 0.178413 0.442255 O\n0.702156 0.821587 0.057745 O\n0.797844 0.821587 0.557745 O\n0.297844 0.178413 0.942255 O\n0.110447 0.395027 0.345196 O\n0.610447 0.604973 0.154804 O\n0.889553 0.604973 0.654804 O\n0.389553 0.395027 0.845196 O\n",
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"formula_full": "Ni2 H48 C4 S4 N12 O28",
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{
"id": "mp-1234508",
"created_at": "2022-09-04T14:43:58.078250Z",
"structure_string": "K2 Mg1 Fe4 P6 O16 F12\n1.0\n6.935830 -0.041584 -2.495466\n-0.730848 7.424605 -1.599899\n0.384278 0.018891 11.278925\nK Mg Fe P O F\n2 1 4 6 16 12\ndirect\n0.763234 0.076701 0.807935 K\n0.266143 0.951899 0.137049 K\n0.151941 0.812984 0.383661 Mg\n0.651885 0.328737 0.323264 Fe\n0.339397 0.655558 0.674672 Fe\n0.502342 0.495327 0.997909 Fe\n0.978023 0.073088 0.535660 Fe\n0.631709 0.741175 0.503215 P\n0.351618 0.248396 0.488196 P\n0.304649 0.084359 0.817720 P\n0.727982 0.902637 0.184884 P\n0.054700 0.581586 0.838986 P\n0.948207 0.419984 0.164151 P\n0.683155 0.582071 0.420695 O\n0.280485 0.415699 0.549848 O\n0.767012 0.910142 0.545066 O\n0.204063 0.082528 0.455288 O\n0.637779 0.070781 0.229760 O\n0.393997 0.915361 0.773148 O\n0.459040 0.235933 0.892601 O\n0.572588 0.752166 0.109678 O\n0.895950 0.856973 0.287596 O\n0.130768 0.132918 0.721502 O\n0.898015 0.380041 0.274233 O\n0.103620 0.616798 0.726488 O\n0.813084 0.461590 0.048666 O\n0.201367 0.554467 0.956543 O\n0.419354 0.256130 0.374711 O\n0.556183 0.708798 0.607577 O\n0.827638 0.266603 0.473895 F\n0.154236 0.748781 0.533668 F\n0.498543 0.387138 0.167957 F\n0.494978 0.577548 0.819413 F\n0.826243 0.953576 0.085217 F\n0.210945 0.034410 0.921030 F\n0.887881 0.425828 0.788195 F\n0.121488 0.583436 0.228186 F\n0.530331 0.206069 0.596722 F\n0.433810 0.797986 0.396178 F\n0.075565 0.272684 0.121079 F\n0.937553 0.741114 0.881508 F\n",
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{
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"structure_string": "Fe1 H12 C2 S2 O12 F6\n1.0\n3.526264 9.401163 0.000000\n-3.526264 9.401163 0.000000\n0.000000 1.595969 6.478354\nFe H C S O F\n1 12 2 2 12 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.819783 0.046262 0.689699 H\n0.046262 0.819783 0.689699 H\n0.180217 0.953738 0.310301 H\n0.953738 0.180217 0.310301 H\n0.822596 0.341818 0.710561 H\n0.341818 0.822596 0.710561 H\n0.177404 0.658182 0.289439 H\n0.658182 0.177404 0.289439 H\n0.776554 0.402718 0.937905 H\n0.402718 0.776554 0.937905 H\n0.223446 0.597282 0.062095 H\n0.597282 0.223446 0.062095 H\n0.275075 0.275075 0.708751 C\n0.724925 0.724925 0.291249 C\n0.376746 0.376746 0.685072 S\n0.623254 0.623254 0.314928 S\n0.383910 0.383910 0.899680 O\n0.616090 0.616090 0.100320 O\n0.228244 0.577109 0.571564 O\n0.577109 0.228244 0.571564 O\n0.771756 0.422891 0.428436 O\n0.422891 0.771756 0.428436 O\n0.951577 0.951577 0.746583 O\n0.048423 0.048423 0.253417 O\n0.859889 0.288699 0.853563 O\n0.288699 0.859889 0.853563 O\n0.140111 0.711301 0.146437 O\n0.711301 0.140111 0.146437 O\n0.262409 0.262409 0.517070 F\n0.737591 0.737591 0.482930 F\n0.088296 0.400146 0.810769 F\n0.400146 0.088296 0.810769 F\n0.911704 0.599854 0.189231 F\n0.599854 0.911704 0.189231 F\n",
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{
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"structure_string": "Cr2 Co2 H30 N10 Cl2 O16\n1.0\n4.331079 -6.488182 0.000000\n4.331079 6.488182 0.000000\n0.000000 0.000000 10.268163\nCr Co H N Cl O\n2 2 30 10 2 16\ndirect\n0.354321 0.645679 0.751729 Cr\n0.645679 0.354321 0.251729 Cr\n0.624159 0.375841 0.765084 Co\n0.375841 0.624159 0.265084 Co\n0.822840 0.635873 0.624706 H\n0.177160 0.364127 0.124706 H\n0.635873 0.822840 0.124706 H\n0.364127 0.177160 0.624706 H\n0.914397 0.276089 0.826516 H\n0.085603 0.723911 0.326516 H\n0.276089 0.914397 0.326516 H\n0.723911 0.085603 0.826516 H\n0.769467 0.230533 0.949447 H\n0.230533 0.769467 0.449447 H\n0.893352 0.627258 0.884642 H\n0.106648 0.372742 0.384642 H\n0.627258 0.893352 0.384642 H\n0.372742 0.106648 0.884642 H\n0.719302 0.540756 0.987169 H\n0.280698 0.459244 0.487169 H\n0.540756 0.719302 0.487169 H\n0.459244 0.280698 0.987169 H\n0.810436 0.445110 0.547576 H\n0.189564 0.554890 0.047576 H\n0.445110 0.810436 0.047576 H\n0.554890 0.189564 0.547576 H\n0.955043 0.524691 0.672096 H\n0.044957 0.475309 0.172096 H\n0.524691 0.955043 0.172096 H\n0.475309 0.044957 0.672096 H\n0.713977 0.690963 0.873474 H\n0.286023 0.309037 0.373474 H\n0.690963 0.713977 0.373474 H\n0.309037 0.286023 0.873474 H\n0.751403 0.580065 0.891851 N\n0.248597 0.419935 0.391851 N\n0.580065 0.751403 0.391851 N\n0.419935 0.248597 0.891851 N\n0.775544 0.224456 0.849182 N\n0.224456 0.775544 0.349182 N\n0.824906 0.505838 0.638105 N\n0.175094 0.494162 0.138105 N\n0.505838 0.824906 0.138105 N\n0.494162 0.175094 0.638105 N\n0.953315 0.046685 0.574975 Cl\n0.046685 0.953315 0.074975 Cl\n0.959786 0.040214 0.985477 O\n0.040214 0.959786 0.485477 O\n0.476598 0.523402 0.689614 O\n0.523402 0.476598 0.189614 O\n0.856360 0.143640 0.500142 O\n0.143640 0.856360 0.000142 O\n0.727651 0.272349 0.127907 O\n0.272349 0.727651 0.627907 O\n0.181092 0.508176 0.843410 O\n0.818908 0.491824 0.343410 O\n0.508176 0.181092 0.343410 O\n0.491824 0.818908 0.843410 O\n0.095355 0.181706 0.656676 O\n0.904645 0.818294 0.156676 O\n0.181706 0.095355 0.156676 O\n0.818294 0.904645 0.656676 O\n",
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{
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"structure_string": "Na2 P2 H12 C4 N8 O8\n1.0\n-0.098879 0.000000 -7.279211\n-4.360745 -6.049567 1.010126\n-4.360745 6.049567 1.010126\nNa P H C N O\n2 2 12 4 8 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.250000 0.249559 0.750441 P\n0.750000 0.750441 0.249559 P\n0.096889 0.123763 0.432598 H\n0.403111 0.567402 0.876237 H\n0.903111 0.876237 0.567402 H\n0.596889 0.432598 0.123763 H\n0.572101 0.235102 0.617959 H\n0.927899 0.382041 0.764898 H\n0.427899 0.764898 0.382041 H\n0.072101 0.617959 0.235102 H\n0.644137 0.238704 0.403015 H\n0.855863 0.596985 0.761296 H\n0.355863 0.761296 0.596985 H\n0.144137 0.403015 0.238704 H\n0.361556 0.194213 0.397339 C\n0.138444 0.602661 0.805787 C\n0.638444 0.805787 0.602661 C\n0.861556 0.397339 0.194213 C\n0.227919 0.180094 0.509866 N\n0.272081 0.490134 0.819906 N\n0.772080 0.819906 0.490134 N\n0.727920 0.509866 0.180094 N\n0.542917 0.243563 0.484676 N\n0.957083 0.515324 0.756437 N\n0.457083 0.756437 0.515324 N\n0.042917 0.484676 0.243563 N\n0.063976 0.168305 0.786890 O\n0.436024 0.213110 0.831695 O\n0.936024 0.831695 0.213110 O\n0.563976 0.786890 0.168305 O\n0.313161 0.164871 0.223112 O\n0.186839 0.776888 0.835129 O\n0.686839 0.835129 0.776888 O\n0.813161 0.223112 0.164871 O\n",
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}