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{
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"structure_string": "Li6 Mn3 V3 P6 H6 O30\n1.0\n5.502256 0.000000 0.000000\n1.690129 9.999742 0.000000\n1.206576 1.577244 9.957425\nLi Mn V P H O\n6 3 3 6 6 30\ndirect\n0.866336 0.024292 0.196723 Li\n0.800423 0.311505 0.131468 Li\n0.133664 0.975708 0.803277 Li\n0.199577 0.688495 0.868532 Li\n0.537906 0.358688 0.529562 Li\n0.462094 0.641312 0.470438 Li\n0.837287 0.664174 0.165061 Mn\n0.000000 0.500000 0.500000 Mn\n0.162713 0.335826 0.834939 Mn\n0.336500 0.167329 0.164062 V\n0.500000 0.000000 0.500000 V\n0.663500 0.832671 0.835938 V\n0.729682 0.135873 0.900671 P\n0.948232 0.197209 0.429503 P\n0.270318 0.864127 0.099329 P\n0.051768 0.802791 0.570497 P\n0.406205 0.468580 0.234224 P\n0.593795 0.531420 0.765776 P\n0.830981 0.597212 0.939800 H\n0.835821 0.729736 0.393586 H\n0.169019 0.402788 0.060200 H\n0.164179 0.270264 0.606414 H\n0.504906 0.932192 0.270674 H\n0.495094 0.067808 0.729326 H\n0.778119 0.978982 0.908983 O\n0.672272 0.167539 0.047682 O\n0.700339 0.153171 0.494477 O\n0.831640 0.865246 0.487316 O\n0.807236 0.469074 0.852455 O\n0.985029 0.177512 0.839232 O\n0.855648 0.685513 0.965288 O\n0.999789 0.834225 0.717339 O\n0.000211 0.165775 0.282661 O\n0.900207 0.354495 0.424222 O\n0.813605 0.641399 0.369153 O\n0.221881 0.021018 0.091017 O\n0.144352 0.314487 0.034712 O\n0.168360 0.134754 0.512684 O\n0.014971 0.822488 0.160768 O\n0.299661 0.846829 0.505523 O\n0.192764 0.530926 0.147545 O\n0.186395 0.358601 0.630847 O\n0.099793 0.645505 0.575778 O\n0.521337 0.020764 0.297445 O\n0.451227 0.311405 0.240973 O\n0.358608 0.501475 0.379037 O\n0.327728 0.832461 0.952318 O\n0.478663 0.979236 0.702555 O\n0.339386 0.491593 0.833379 O\n0.518116 0.198443 0.813688 O\n0.481884 0.801557 0.186312 O\n0.660614 0.508407 0.166621 O\n0.641392 0.498525 0.620963 O\n0.548773 0.688595 0.759027 O\n",
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},
{
"id": "mp-1196828",
"created_at": "2022-09-04T14:42:21.229020Z",
"structure_string": "Na4 Li4 Mg4 P4 O16 F4\n1.0\n11.346737 0.000000 0.000000\n0.000000 5.082258 0.000000\n0.000000 0.002510 6.896340\nNa Li Mg P O F\n4 4 4 4 16 4\ndirect\n0.665413 0.753091 0.511399 Na\n0.165413 0.746909 0.488601 Na\n0.334587 0.246909 0.488601 Na\n0.834587 0.253091 0.511399 Na\n0.580184 0.263222 0.740257 Li\n0.080184 0.236778 0.259743 Li\n0.419816 0.736778 0.259743 Li\n0.919816 0.763222 0.740257 Li\n0.328970 0.263463 0.018398 Mg\n0.828970 0.236537 0.981602 Mg\n0.671030 0.736537 0.981602 Mg\n0.171030 0.763463 0.018398 Mg\n0.418189 0.771268 0.754304 P\n0.918189 0.728732 0.245696 P\n0.581811 0.228732 0.245696 P\n0.081811 0.271268 0.754304 P\n0.376194 0.740127 0.542171 O\n0.876194 0.759873 0.457829 O\n0.623806 0.259873 0.457829 O\n0.123806 0.240127 0.542171 O\n0.328305 0.631295 0.890882 O\n0.828305 0.868705 0.109118 O\n0.671695 0.368705 0.109118 O\n0.171695 0.131295 0.890882 O\n0.426124 0.071096 0.805233 O\n0.926124 0.428904 0.194767 O\n0.573876 0.928904 0.194767 O\n0.073876 0.571096 0.805233 O\n0.541123 0.642394 0.782834 O\n0.041123 0.857606 0.217166 O\n0.458877 0.357606 0.217166 O\n0.958877 0.142394 0.782834 O\n0.212791 0.464422 0.199264 F\n0.712791 0.035578 0.800736 F\n0.787209 0.535578 0.800736 F\n0.287209 0.964422 0.199264 F\n",
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},
{
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"structure_string": "Ni2 H40 C24 S4 N4 O16\n1.0\n5.242584 0.000000 0.000000\n0.000000 13.313094 0.000000\n0.000000 12.535358 13.707181\nNi H C S N O\n2 40 24 4 4 16\ndirect\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.326870 0.057465 0.338082 H\n0.173130 0.057465 0.838082 H\n0.673130 0.942535 0.661918 H\n0.826870 0.942535 0.161918 H\n0.083739 0.007877 0.408118 H\n0.416261 0.007877 0.908118 H\n0.916261 0.992123 0.591882 H\n0.583739 0.992123 0.091882 H\n0.483484 0.158585 0.166426 H\n0.016516 0.158585 0.666426 H\n0.516516 0.841415 0.833574 H\n0.983484 0.841415 0.333574 H\n0.647319 0.027529 0.247386 H\n0.852681 0.027529 0.747386 H\n0.352681 0.972471 0.752614 H\n0.147319 0.972471 0.252614 H\n0.129202 0.415557 0.664813 H\n0.370798 0.415557 0.164813 H\n0.870798 0.584443 0.335187 H\n0.629202 0.584443 0.835187 H\n0.338946 0.336407 0.765797 H\n0.161054 0.336407 0.265797 H\n0.661054 0.663593 0.234203 H\n0.838946 0.663593 0.734203 H\n0.226150 0.506856 0.699776 H\n0.273850 0.506856 0.199776 H\n0.773850 0.493144 0.300224 H\n0.726150 0.493144 0.800224 H\n0.709375 0.309687 0.692407 H\n0.790625 0.309687 0.192407 H\n0.290625 0.690313 0.307593 H\n0.209375 0.690313 0.807593 H\n0.473482 0.353867 0.606418 H\n0.026518 0.353867 0.106418 H\n0.526518 0.646133 0.393582 H\n0.973482 0.646133 0.893582 H\n0.766295 0.448429 0.564426 H\n0.733705 0.448429 0.064426 H\n0.233705 0.551571 0.435574 H\n0.266295 0.551571 0.935574 H\n0.512624 0.725294 0.570027 C\n0.987376 0.725294 0.070027 C\n0.487376 0.274706 0.429973 C\n0.012624 0.274706 0.929973 C\n0.584910 0.613934 0.577343 C\n0.915090 0.613934 0.077343 C\n0.415090 0.386066 0.422657 C\n0.084910 0.386066 0.922657 C\n0.786045 0.699192 0.502038 C\n0.713955 0.699192 0.002038 C\n0.213955 0.300808 0.497962 C\n0.286045 0.300808 0.997962 C\n0.710874 0.809599 0.498971 C\n0.789126 0.809599 0.998971 C\n0.289126 0.190401 0.501029 C\n0.210874 0.190401 0.001029 C\n0.286013 0.433787 0.693979 C\n0.213987 0.433787 0.193979 C\n0.713987 0.566213 0.306021 C\n0.786013 0.566213 0.806021 C\n0.621901 0.395358 0.621881 C\n0.878099 0.395358 0.121881 C\n0.378099 0.604642 0.378119 C\n0.121901 0.604642 0.878119 C\n0.303407 0.769663 0.612176 S\n0.196593 0.769663 0.112176 S\n0.696593 0.230337 0.387824 S\n0.803407 0.230337 0.887824 S\n0.504036 0.488289 0.628432 N\n0.995964 0.488289 0.128432 N\n0.495964 0.511711 0.371568 N\n0.004036 0.511711 0.871568 N\n0.937255 0.683035 0.458747 O\n0.562745 0.683035 0.958747 O\n0.062745 0.316965 0.541253 O\n0.437255 0.316965 0.041253 O\n0.769489 0.931560 0.455030 O\n0.730511 0.931560 0.955030 O\n0.230511 0.068440 0.544970 O\n0.269489 0.068440 0.044970 O\n0.247221 0.058809 0.385640 O\n0.252779 0.058809 0.885640 O\n0.752779 0.941191 0.614360 O\n0.747221 0.941191 0.114360 O\n0.478996 0.069718 0.235029 O\n0.021004 0.069718 0.735029 O\n0.521004 0.930282 0.764971 O\n0.978996 0.930282 0.264971 O\n",
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"elements": [
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],
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"formula_full": "Ni2 H40 C24 S4 N4 O16",
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},
{
"id": "mp-605239",
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"structure_string": "K2 Ca8 Si16 H32 O56 F2\n1.0\n9.968225 0.000000 0.000000\n0.000000 9.968225 0.000000\n0.000000 0.000000 12.422813\nK Ca Si H O F\n2 8 16 32 56 2\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.709951 0.704130 0.000000 Ca\n0.204130 0.209951 0.500000 Ca\n0.295870 0.709951 0.000000 Ca\n0.209951 0.795870 0.500000 Ca\n0.795870 0.790049 0.500000 Ca\n0.290049 0.295870 0.000000 Ca\n0.790049 0.204130 0.500000 Ca\n0.704130 0.290049 0.000000 Ca\n0.543456 0.713853 0.243308 Si\n0.786147 0.956544 0.256692 Si\n0.713853 0.456544 0.243308 Si\n0.043456 0.786147 0.743308 Si\n0.786147 0.956544 0.743308 Si\n0.713853 0.456544 0.756692 Si\n0.956544 0.213853 0.256692 Si\n0.543456 0.713853 0.756692 Si\n0.213853 0.043456 0.743308 Si\n0.956544 0.213853 0.743308 Si\n0.213853 0.043456 0.256692 Si\n0.456544 0.286147 0.756692 Si\n0.043456 0.786147 0.256692 Si\n0.286147 0.543456 0.756692 Si\n0.286147 0.543456 0.243308 Si\n0.456544 0.286147 0.243308 Si\n0.898522 0.435247 0.600316 H\n0.435247 0.101478 0.399684 H\n0.410964 0.677809 0.469114 H\n0.398522 0.064753 0.899684 H\n0.822191 0.089036 0.030886 H\n0.910964 0.822191 0.030886 H\n0.435247 0.101478 0.600316 H\n0.589036 0.322191 0.469114 H\n0.564753 0.898522 0.600316 H\n0.822191 0.089036 0.969114 H\n0.101478 0.564753 0.399684 H\n0.177809 0.910964 0.969114 H\n0.064753 0.601478 0.100316 H\n0.677809 0.589036 0.530886 H\n0.089036 0.177809 0.969114 H\n0.398522 0.064753 0.100316 H\n0.910964 0.822191 0.969114 H\n0.322191 0.410964 0.469114 H\n0.935247 0.398522 0.899684 H\n0.601478 0.935247 0.899684 H\n0.898522 0.435247 0.399684 H\n0.564753 0.898522 0.399684 H\n0.677809 0.589036 0.469114 H\n0.101478 0.564753 0.600316 H\n0.322191 0.410964 0.530886 H\n0.935247 0.398522 0.100316 H\n0.601478 0.935247 0.100316 H\n0.064753 0.601478 0.899684 H\n0.589036 0.322191 0.530886 H\n0.410964 0.677809 0.530886 H\n0.177809 0.910964 0.030886 H\n0.089036 0.177809 0.030886 H\n0.023796 0.776382 0.387787 O\n0.661620 0.607715 0.717557 O\n0.838380 0.107715 0.782443 O\n0.698200 0.938786 0.111785 O\n0.223618 0.023796 0.387787 O\n0.476204 0.276382 0.112213 O\n0.198200 0.561214 0.611785 O\n0.276382 0.523796 0.887787 O\n0.661620 0.607715 0.282443 O\n0.938786 0.301800 0.111785 O\n0.976204 0.223618 0.612213 O\n0.373916 0.126084 0.750000 O\n0.723618 0.476204 0.887787 O\n0.061214 0.698200 0.888215 O\n0.976204 0.223618 0.387787 O\n0.126084 0.626084 0.750000 O\n0.523796 0.723618 0.112213 O\n0.873916 0.373916 0.250000 O\n0.373916 0.126084 0.250000 O\n0.873916 0.373916 0.750000 O\n0.223618 0.023796 0.612213 O\n0.392285 0.661620 0.717557 O\n0.161620 0.892285 0.782443 O\n0.338380 0.392285 0.717557 O\n0.838380 0.107715 0.217557 O\n0.161620 0.892285 0.217557 O\n0.938786 0.301800 0.888215 O\n0.023796 0.776382 0.612213 O\n0.698200 0.938786 0.888215 O\n0.061214 0.698200 0.111785 O\n0.301800 0.061214 0.888215 O\n0.626084 0.873916 0.250000 O\n0.126084 0.626084 0.250000 O\n0.392285 0.661620 0.282443 O\n0.776382 0.976204 0.387787 O\n0.626084 0.873916 0.750000 O\n0.801800 0.438786 0.611785 O\n0.301800 0.061214 0.111785 O\n0.523796 0.723618 0.887787 O\n0.198200 0.561214 0.388215 O\n0.892285 0.838380 0.217557 O\n0.892285 0.838380 0.782443 O\n0.438786 0.198200 0.388215 O\n0.561214 0.801800 0.611785 O\n0.607715 0.338380 0.282443 O\n0.723618 0.476204 0.112213 O\n0.107715 0.161620 0.217557 O\n0.338380 0.392285 0.282443 O\n0.107715 0.161620 0.782443 O\n0.276382 0.523796 0.112213 O\n0.438786 0.198200 0.611785 O\n0.607715 0.338380 0.717557 O\n0.776382 0.976204 0.612213 O\n0.476204 0.276382 0.887787 O\n0.561214 0.801800 0.388215 O\n0.801800 0.438786 0.388215 O\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.000000 F\n",
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{
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"structure_string": "Li1 Mg1 Cr3 Se2 S4 O24\n1.0\n8.422488 0.000000 0.000000\n4.150237 7.338810 0.000000\n4.132845 2.400053 7.569120\nLi Mg Cr Se S O\n1 1 3 2 4 24\ndirect\n0.576659 0.237910 0.371752 Li\n0.857080 0.846451 0.437546 Mg\n0.643364 0.649312 0.067741 Cr\n0.354711 0.349235 0.935489 Cr\n0.154462 0.152397 0.545259 Cr\n0.746634 0.461943 0.745609 Se\n0.045770 0.746366 0.747485 Se\n0.528972 0.963933 0.252456 S\n0.960813 0.255019 0.252154 S\n0.256837 0.534950 0.245501 S\n0.459359 0.041644 0.749207 S\n0.885727 0.697087 0.945686 O\n0.495018 0.888975 0.913048 O\n0.658057 0.997924 0.295783 O\n0.341973 0.978157 0.395674 O\n0.009310 0.974661 0.705509 O\n0.702075 0.670337 0.593216 O\n0.694962 0.477415 0.944503 O\n0.614450 0.769713 0.236393 O\n0.976587 0.317491 0.703408 O\n0.264496 0.607076 0.767174 O\n0.614123 0.351161 0.769178 O\n0.026366 0.705162 0.595218 O\n0.980784 0.286539 0.392598 O\n0.388878 0.614403 0.230410 O\n0.760609 0.385722 0.240056 O\n0.058495 0.659873 0.293457 O\n0.367872 0.231713 0.777972 O\n0.307773 0.503949 0.077618 O\n0.296613 0.342014 0.388172 O\n0.975580 0.058921 0.297051 O\n0.639377 0.038298 0.598824 O\n0.324508 0.016980 0.705516 O\n0.501500 0.106188 0.082514 O\n0.101308 0.307684 0.080421 O\n",
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"structure_string": "K6 Na6 Te2 P12 H12 O48\n1.0\n11.466415 -5.500504 0.000000\n11.466415 5.500504 0.000000\n8.827793 0.000000 9.154469\nK Na Te P H O\n6 6 2 12 12 48\ndirect\n0.250000 0.875890 0.624110 K\n0.624110 0.250000 0.875890 K\n0.875890 0.624110 0.250000 K\n0.124110 0.375890 0.750000 K\n0.750000 0.124110 0.375890 K\n0.375890 0.750000 0.124110 K\n0.053332 0.250000 0.446668 Na\n0.446668 0.053332 0.250000 Na\n0.250000 0.446668 0.053332 Na\n0.946668 0.750000 0.553332 Na\n0.553332 0.946668 0.750000 Na\n0.750000 0.553332 0.946668 Na\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.339515 0.187629 0.493209 P\n0.493209 0.339515 0.187629 P\n0.187629 0.493209 0.339515 P\n0.993209 0.687629 0.839515 P\n0.839515 0.993209 0.687629 P\n0.687629 0.839515 0.993209 P\n0.660485 0.812371 0.506791 P\n0.506791 0.660485 0.812371 P\n0.812371 0.506791 0.660485 P\n0.006791 0.312371 0.160485 P\n0.160485 0.006791 0.312371 P\n0.312371 0.160485 0.006791 P\n0.302761 0.709328 0.405142 H\n0.405142 0.302761 0.709328 H\n0.709328 0.405142 0.302761 H\n0.905142 0.209328 0.802761 H\n0.802761 0.905142 0.209328 H\n0.209328 0.802761 0.905142 H\n0.697239 0.290672 0.594858 H\n0.594858 0.697239 0.290672 H\n0.290672 0.594858 0.697239 H\n0.094858 0.790672 0.197239 H\n0.197239 0.094858 0.790672 H\n0.790672 0.197239 0.094858 H\n0.372008 0.394588 0.630288 O\n0.630288 0.372008 0.394588 O\n0.394588 0.630288 0.372008 O\n0.130288 0.894588 0.872008 O\n0.872008 0.130288 0.894588 O\n0.894588 0.872008 0.130288 O\n0.627992 0.605412 0.369712 O\n0.369712 0.627992 0.605412 O\n0.605412 0.369712 0.627992 O\n0.869712 0.105412 0.127992 O\n0.127992 0.869712 0.105412 O\n0.105412 0.127992 0.869712 O\n0.363304 0.108217 0.630844 O\n0.630844 0.363304 0.108217 O\n0.108217 0.630844 0.363304 O\n0.130844 0.608217 0.863304 O\n0.863304 0.130844 0.608217 O\n0.608217 0.863304 0.130844 O\n0.636696 0.891783 0.369156 O\n0.369156 0.636696 0.891783 O\n0.891783 0.369156 0.636696 O\n0.869156 0.391783 0.136696 O\n0.136696 0.869156 0.391783 O\n0.391783 0.136696 0.869156 O\n0.292304 0.127176 0.465403 O\n0.465403 0.292304 0.127176 O\n0.127176 0.465403 0.292304 O\n0.965403 0.627176 0.792304 O\n0.792304 0.965403 0.627176 O\n0.627176 0.792304 0.965403 O\n0.707696 0.872824 0.534597 O\n0.534597 0.707696 0.872824 O\n0.872824 0.534597 0.707696 O\n0.034597 0.372824 0.207696 O\n0.207696 0.034597 0.372824 O\n0.372824 0.207696 0.034597 O\n0.220624 0.354580 0.485106 O\n0.485106 0.220624 0.354580 O\n0.354580 0.485106 0.220624 O\n0.985106 0.854580 0.720624 O\n0.720624 0.985106 0.854580 O\n0.854580 0.720624 0.985106 O\n0.779376 0.645420 0.514894 O\n0.514894 0.779376 0.645420 O\n0.645420 0.514894 0.779376 O\n0.014894 0.145420 0.279376 O\n0.279376 0.014894 0.145420 O\n0.145420 0.279376 0.014894 O\n",
"nsites": 86,
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"elements": [
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],
"chemical_system": "H-K-Na-O-P-Te",
"density": 2.558874129345884,
"density_atomic": 0.07447408161903431,
"volume": 1154.764155937169,
"volume_molar": 8.086223594949095,
"formula_full": "K6 Na6 Te2 P12 H12 O48",
"formula_reduced": "K3Na3TeP6(HO4)6",
"formula_anonymous": "AB3C3D6E6F24",
"energy": -556.69108024,
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"energy_uncorrected": -523.71508024,
"band_gap": 4.0183,
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"total_magnetization": 2.32e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.957000Z",
"spacegroup": 167
},
{
"id": "mp-1177823",
"created_at": "2022-09-04T14:42:19.116055Z",
"structure_string": "Li4 V2 Fe2 P4 H4 O20\n1.0\n5.433073 0.000000 0.000000\n-2.056847 7.095623 0.000000\n-1.954744 -3.227232 9.470224\nLi V Fe P H O\n4 2 2 4 4 20\ndirect\n0.475709 0.050552 0.872965 Li\n0.975900 0.549819 0.373345 Li\n0.024100 0.450181 0.626655 Li\n0.524291 0.949448 0.127035 Li\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.476343 0.606137 0.838021 P\n0.023837 0.894220 0.661896 P\n0.976163 0.105780 0.338104 P\n0.523657 0.393863 0.161979 P\n0.621492 0.342582 0.680463 H\n0.121328 0.839374 0.180948 H\n0.878672 0.160626 0.819052 H\n0.378508 0.657418 0.319537 H\n0.869912 0.196507 0.918501 O\n0.369415 0.694175 0.419001 O\n0.658659 0.483866 0.863560 O\n0.308459 0.995919 0.654719 O\n0.159869 0.983353 0.363094 O\n0.809287 0.493676 0.153641 O\n0.434475 0.613756 0.684111 O\n0.602243 0.823875 0.943169 O\n0.933306 0.113952 0.185040 O\n0.101886 0.322974 0.443753 O\n0.898114 0.677026 0.556247 O\n0.066694 0.886048 0.814960 O\n0.397757 0.176125 0.056831 O\n0.565525 0.386244 0.315889 O\n0.190713 0.506324 0.846359 O\n0.840131 0.016647 0.636906 O\n0.691541 0.004081 0.345281 O\n0.341341 0.516134 0.136440 O\n0.630585 0.305825 0.580999 O\n0.130088 0.803493 0.081499 O\n",
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"formula_full": "Li4 V2 Fe2 P4 H4 O20",
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},
{
"id": "mp-1234288",
"created_at": "2022-09-04T14:40:41.752784Z",
"structure_string": "Rb4 Mg1 V4 Cu2 P4 O24\n1.0\n5.368892 -0.068433 0.010976\n-0.767190 9.447879 -0.006127\n0.028014 -0.001570 11.897959\nRb Mg V Cu P O\n4 1 4 2 4 24\ndirect\n0.468588 0.071309 0.410139 Rb\n0.577329 0.869721 0.655015 Rb\n0.535420 0.395420 0.845549 Rb\n0.433641 0.637162 0.129927 Rb\n0.335153 0.265542 0.192746 Mg\n0.050091 0.743048 0.885394 V\n0.917508 0.242360 0.089330 V\n0.941741 0.749396 0.390162 V\n0.059908 0.249054 0.609395 V\n0.497359 0.997245 0.995015 Cu\n0.493730 0.495631 0.501122 Cu\n0.020436 0.082420 0.857759 P\n0.992846 0.920974 0.137058 P\n0.961587 0.411687 0.367248 P\n0.020886 0.581989 0.634911 P\n0.098776 0.081370 0.160135 O\n0.043000 0.311571 0.273878 O\n0.116271 0.859559 0.471585 O\n0.640244 0.310428 0.124915 O\n0.907104 0.123886 0.531931 O\n0.881844 0.621822 0.960916 O\n0.838260 0.131153 0.952110 O\n0.940627 0.426530 0.672535 O\n0.954149 0.680512 0.733479 O\n0.847195 0.618194 0.534095 O\n0.677263 0.382192 0.390516 O\n0.129721 0.382036 0.470680 O\n0.051901 0.832103 0.240924 O\n0.147991 0.869291 0.035841 O\n0.648917 0.791795 0.386195 O\n0.297355 0.103850 0.889773 O\n0.175493 0.350262 0.052283 O\n0.710569 0.916183 0.113697 O\n0.362285 0.224332 0.615713 O\n0.348222 0.709278 0.880405 O\n0.933046 0.923976 0.833930 O\n0.301884 0.605238 0.607050 O\n0.032977 0.567496 0.327757 O\n0.958684 0.172318 0.755552 O\n",
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"formula_full": "Rb4 Mg1 V4 Cu2 P4 O24",
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}
]
}