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{
"id": "mp-1178861",
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"structure_string": "Zn12 P8 H28 O48\n1.0\n5.229740 0.000000 0.000000\n0.000000 10.669554 0.000000\n0.000000 0.000000 18.651182\nZn P H O\n12 8 28 48\ndirect\n0.044788 0.854857 0.998742 Zn\n0.955212 0.354857 0.501258 Zn\n0.455212 0.145143 0.498742 Zn\n0.544788 0.645143 0.001258 Zn\n0.462431 0.144382 0.000258 Zn\n0.537569 0.644382 0.499742 Zn\n0.037569 0.855618 0.500258 Zn\n0.962431 0.355618 0.999742 Zn\n0.829741 0.232559 0.750878 Zn\n0.170259 0.732559 0.749122 Zn\n0.670259 0.767441 0.250878 Zn\n0.329741 0.267441 0.249122 Zn\n0.981272 0.103736 0.905713 P\n0.018728 0.603736 0.594287 P\n0.518728 0.896264 0.405713 P\n0.481272 0.396264 0.094287 P\n0.528375 0.897276 0.093986 P\n0.471625 0.397276 0.406014 P\n0.971625 0.102724 0.593986 P\n0.028375 0.602724 0.906014 P\n0.531447 0.026465 0.752543 H\n0.468553 0.526465 0.747457 H\n0.968553 0.973535 0.252543 H\n0.031447 0.473535 0.247457 H\n0.262580 0.361996 0.749716 H\n0.737420 0.861996 0.750284 H\n0.237420 0.638004 0.249716 H\n0.762580 0.138004 0.250284 H\n0.047342 0.470477 0.749880 H\n0.952658 0.970477 0.750120 H\n0.452658 0.529523 0.249880 H\n0.547342 0.029523 0.250120 H\n0.708261 0.396407 0.643159 H\n0.291739 0.896407 0.856841 H\n0.791739 0.603593 0.143159 H\n0.208261 0.103593 0.356841 H\n0.793094 0.602538 0.356736 H\n0.206906 0.102538 0.143264 H\n0.706906 0.397462 0.856736 H\n0.293094 0.897462 0.643264 H\n0.562478 0.267291 0.638659 H\n0.437522 0.767291 0.861341 H\n0.937522 0.732709 0.138659 H\n0.062478 0.232709 0.361341 H\n0.933546 0.732970 0.361798 H\n0.066454 0.232970 0.138202 H\n0.566454 0.267030 0.861798 H\n0.433546 0.767030 0.638202 H\n0.097827 0.972549 0.921524 O\n0.902173 0.472549 0.578476 O\n0.402173 0.027451 0.421524 O\n0.597827 0.527451 0.078476 O\n0.408420 0.027725 0.078402 O\n0.591580 0.527725 0.421598 O\n0.091580 0.972275 0.578402 O\n0.908420 0.472275 0.921598 O\n0.881494 0.698306 0.957554 O\n0.118506 0.198306 0.542446 O\n0.618506 0.301694 0.457554 O\n0.381494 0.801694 0.042446 O\n0.622391 0.302205 0.040686 O\n0.377609 0.802205 0.459314 O\n0.877609 0.697795 0.540686 O\n0.122391 0.197795 0.959314 O\n0.816038 0.889137 0.077085 O\n0.183962 0.389137 0.422915 O\n0.683962 0.110863 0.577085 O\n0.316038 0.610863 0.922915 O\n0.691037 0.112356 0.920635 O\n0.308963 0.612356 0.579365 O\n0.808963 0.887644 0.420635 O\n0.191037 0.387644 0.079365 O\n0.036339 0.136197 0.827360 O\n0.963661 0.636197 0.672640 O\n0.463661 0.863803 0.327360 O\n0.536339 0.363803 0.172640 O\n0.482793 0.865777 0.173058 O\n0.517207 0.365777 0.326942 O\n0.017207 0.134223 0.673058 O\n0.982793 0.634223 0.826942 O\n0.527490 0.117462 0.747613 O\n0.472510 0.617462 0.752387 O\n0.972510 0.882538 0.247613 O\n0.027490 0.382538 0.252387 O\n0.080110 0.379947 0.749984 O\n0.919890 0.879947 0.750016 O\n0.419890 0.620053 0.249984 O\n0.580110 0.120053 0.250016 O\n0.601695 0.336860 0.671402 O\n0.398305 0.836860 0.828598 O\n0.898305 0.663140 0.171402 O\n0.101695 0.163140 0.328598 O\n0.896287 0.663650 0.328713 O\n0.103713 0.163650 0.171287 O\n0.603713 0.336350 0.828713 O\n0.396287 0.836350 0.671287 O\n",
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"O"
],
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"formula_full": "Zn12 P8 H28 O48",
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"energy": -559.72731367,
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"updated_at": "2021-11-28T01:37:32.988000Z",
"spacegroup": 19
},
{
"id": "mp-1196028",
"created_at": "2022-09-04T14:48:17.617534Z",
"structure_string": "Lu8 B8 N8 O52\n1.0\n7.977075 0.000000 0.000000\n-3.298539 9.342317 0.000000\n-2.550012 -1.170326 14.323772\nLu B N O\n8 8 8 52\ndirect\n0.947265 0.549790 0.103818 Lu\n0.052735 0.450210 0.896182 Lu\n0.040130 0.980440 0.124499 Lu\n0.959870 0.019560 0.875501 Lu\n0.031051 0.474418 0.383545 Lu\n0.968949 0.525582 0.616455 Lu\n0.934582 0.046479 0.385430 Lu\n0.065418 0.953521 0.614570 Lu\n0.013454 0.247339 0.065075 B\n0.986546 0.752661 0.934925 B\n0.977346 0.293092 0.231886 B\n0.022654 0.706908 0.768114 B\n0.006443 0.800973 0.265464 B\n0.993557 0.199027 0.734536 B\n0.978646 0.737676 0.432270 B\n0.021354 0.262324 0.567730 B\n0.577266 0.440093 0.088903 N\n0.422734 0.559907 0.911097 N\n0.414702 0.090459 0.165929 N\n0.585298 0.909541 0.834071 N\n0.408346 0.570696 0.410808 N\n0.591654 0.429304 0.589192 N\n0.560250 0.956413 0.352178 N\n0.439750 0.043587 0.647822 N\n0.989207 0.208298 0.157130 O\n0.010793 0.791702 0.842870 O\n0.015967 0.376179 0.034623 O\n0.984033 0.623821 0.965377 O\n0.031376 0.137575 0.014544 O\n0.968624 0.862425 0.985456 O\n0.983198 0.433375 0.225745 O\n0.016802 0.566625 0.774255 O\n0.965882 0.241919 0.317699 O\n0.034118 0.758081 0.682301 O\n0.992294 0.707873 0.338056 O\n0.007706 0.292127 0.661944 O\n0.029461 0.759317 0.179666 O\n0.970539 0.240683 0.820334 O\n0.994110 0.935477 0.272711 O\n0.005890 0.064523 0.727289 O\n0.975286 0.624278 0.484612 O\n0.024714 0.375722 0.515388 O\n0.976506 0.866491 0.464263 O\n0.023494 0.133509 0.535737 O\n0.413037 0.391329 0.084508 O\n0.586963 0.608671 0.915492 O\n0.662917 0.375737 0.047212 O\n0.337083 0.624263 0.952788 O\n0.678274 0.560334 0.135716 O\n0.321726 0.439666 0.864284 O\n0.581335 0.137448 0.186377 O\n0.418665 0.862552 0.813623 O\n0.315589 0.140234 0.207467 O\n0.684411 0.859766 0.792533 O\n0.327332 0.987858 0.101862 O\n0.672668 0.012142 0.898138 O\n0.309542 0.450784 0.364884 O\n0.690458 0.549216 0.635116 O\n0.575336 0.612354 0.425778 O\n0.424664 0.387646 0.574222 O\n0.320772 0.644835 0.440995 O\n0.679228 0.355165 0.559005 O\n0.394403 0.920896 0.334888 O\n0.605597 0.079104 0.665112 O\n0.660893 0.055512 0.416149 O\n0.339107 0.944488 0.583851 O\n0.646687 0.897350 0.307067 O\n0.353313 0.102650 0.692933 O\n0.270561 0.636187 0.150786 O\n0.729439 0.363813 0.849214 O\n0.716682 0.903354 0.094848 O\n0.283318 0.096646 0.905152 O\n0.707826 0.396276 0.344262 O\n0.292174 0.603724 0.655738 O\n0.261726 0.135540 0.417399 O\n0.738274 0.864460 0.582601 O\n",
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"formula_full": "Lu8 B8 N8 O52",
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"energy": -562.49088988,
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{
"id": "mp-686681",
"created_at": "2022-09-04T14:39:36.291423Z",
"structure_string": "Ca12 Ga12 Si6 H4 O48\n1.0\n7.792948 0.000000 0.000000\n-2.681650 7.509116 0.000000\n-2.562658 -3.655481 19.051504\nCa Ga Si H O\n12 12 6 4 48\ndirect\n0.901329 0.901861 0.096124 Ca\n0.481017 0.474069 0.238910 Ca\n0.673958 0.977745 0.333672 Ca\n0.145358 0.132616 0.573277 Ca\n0.336593 0.643685 0.668514 Ca\n0.954369 0.652361 0.331632 Ca\n0.573722 0.560417 0.429048 Ca\n0.800497 0.801801 0.902076 Ca\n0.622666 0.322252 0.668205 Ca\n0.236101 0.227528 0.763464 Ca\n0.996701 0.284457 0.999839 Ca\n0.285942 0.001749 0.999475 Ca\n0.416223 0.671823 0.081863 Ga\n0.007377 0.255570 0.246872 Ga\n0.667474 0.420664 0.086549 Ga\n0.743510 0.250766 0.498840 Ga\n0.410040 0.911301 0.834598 Ga\n0.251391 0.998792 0.250176 Ga\n0.753754 0.999833 0.749469 Ga\n0.582387 0.083584 0.165719 Ga\n0.911794 0.671179 0.586004 Ga\n0.258983 0.750308 0.500092 Ga\n0.578761 0.333003 0.917966 Ga\n0.924540 0.423297 0.832998 Ga\n0.087024 0.585755 0.167352 Si\n0.084601 0.328055 0.417141 Si\n0.670412 0.919441 0.581612 Si\n0.318727 0.077234 0.415677 Si\n0.332920 0.580770 0.916323 Si\n0.996265 0.748953 0.749958 Si\n0.657513 0.306240 0.328987 H\n0.232359 0.230449 0.114868 H\n0.328056 0.973994 0.664632 H\n0.986765 0.653134 0.993275 H\n0.735301 0.749483 0.275777 O\n0.444660 0.910634 0.087997 O\n0.088109 0.795087 0.185849 O\n0.927047 0.472841 0.097543 O\n0.674653 0.434157 0.337093 O\n0.285522 0.572722 0.151683 O\n0.043081 0.496840 0.238515 O\n0.640743 0.643105 0.096093 O\n0.744006 0.481178 0.519843 O\n0.955469 0.238627 0.339277 O\n0.544970 0.133808 0.422552 O\n0.336617 0.099069 0.666492 O\n0.969217 0.244645 0.477299 O\n0.146905 0.146232 0.074616 O\n0.569928 0.308212 0.156630 O\n0.702698 0.132179 0.574248 O\n0.276335 0.273012 0.426440 O\n0.224005 0.216555 0.242085 O\n0.494043 0.036660 0.248260 O\n0.610247 0.890511 0.657729 O\n0.219091 0.787240 0.755203 O\n0.208008 0.947290 0.340063 O\n0.822164 0.083594 0.182990 O\n0.624236 0.888158 0.812167 O\n0.791390 0.805161 0.396209 O\n0.240820 0.967671 0.477681 O\n0.972202 0.947980 0.754900 O\n0.358607 0.792294 0.909675 O\n0.864294 0.883651 0.574656 O\n0.156565 0.721555 0.578322 O\n0.271274 0.546144 0.992398 O\n0.999989 0.780559 0.001041 O\n0.880983 0.615195 0.673871 O\n0.507142 0.774241 0.517766 O\n0.170856 0.436792 0.851497 O\n0.488724 0.691433 0.337647 O\n0.391801 0.411741 0.604754 O\n0.453007 0.468183 0.725408 O\n0.151047 0.550946 0.425565 O\n0.911895 0.643678 0.811658 O\n0.526555 0.545192 0.908243 O\n0.828408 0.391914 0.912933 O\n0.552333 0.262541 0.002658 O\n0.150940 0.352236 0.664354 O\n0.062761 0.068544 0.924217 O\n0.810889 0.245100 0.753472 O\n0.413769 0.145328 0.848344 O\n0.781348 0.997173 0.997970 O\n",
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"formula_full": "Ca12 Ga12 Si6 H4 O48",
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{
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"created_at": "2022-09-04T14:44:12.157762Z",
"structure_string": "Li4 V8 P12 O48\n1.0\n8.666396 0.000000 0.000000\n0.000000 8.505414 0.000000\n0.000000 8.492299 11.936762\nLi V P O\n4 8 12 48\ndirect\n0.779128 0.981388 0.321200 Li\n0.279128 0.018612 0.178800 Li\n0.720872 0.981388 0.821200 Li\n0.220872 0.018612 0.678800 Li\n0.031670 0.628996 0.619029 V\n0.531670 0.371004 0.880971 V\n0.960779 0.141820 0.113530 V\n0.460779 0.858180 0.386470 V\n0.539221 0.141820 0.613530 V\n0.039221 0.858180 0.886470 V\n0.468330 0.628996 0.119029 V\n0.968330 0.371004 0.380971 V\n0.251496 0.461671 0.006914 P\n0.383368 0.749743 0.646275 P\n0.108788 0.034676 0.357409 P\n0.883368 0.250257 0.853725 P\n0.608788 0.965324 0.142591 P\n0.751496 0.538329 0.493086 P\n0.248504 0.461671 0.506914 P\n0.391212 0.034676 0.857409 P\n0.116632 0.749743 0.146275 P\n0.891212 0.965324 0.642591 P\n0.616632 0.250257 0.353725 P\n0.748504 0.538329 0.993086 P\n0.869912 0.374476 0.065785 O\n0.884691 0.801643 0.628294 O\n0.682517 0.515798 0.903835 O\n0.580052 0.090125 0.335828 O\n0.370354 0.475680 0.926193 O\n0.208036 0.716959 0.665724 O\n0.429783 0.819132 0.527954 O\n0.988139 0.074340 0.267629 O\n0.169106 0.264044 0.070473 O\n0.268784 0.007297 0.319992 O\n0.481992 0.570062 0.731297 O\n0.058637 0.841956 0.466444 O\n0.981992 0.429938 0.768703 O\n0.558637 0.158044 0.033556 O\n0.768784 0.992703 0.180008 O\n0.669106 0.735956 0.429527 O\n0.929783 0.180868 0.972046 O\n0.488139 0.925660 0.232371 O\n0.708036 0.283041 0.834276 O\n0.870354 0.524320 0.573807 O\n0.182517 0.484202 0.596165 O\n0.384691 0.198357 0.871706 O\n0.080052 0.909875 0.164172 O\n0.369912 0.625524 0.434215 O\n0.630088 0.374476 0.565785 O\n0.919948 0.090125 0.835828 O\n0.615309 0.801643 0.128294 O\n0.817483 0.515798 0.403835 O\n0.129646 0.475680 0.426193 O\n0.291964 0.716959 0.165724 O\n0.511861 0.074340 0.767629 O\n0.070217 0.819132 0.027954 O\n0.330894 0.264044 0.570473 O\n0.231216 0.007297 0.819992 O\n0.441363 0.841956 0.966444 O\n0.018008 0.570062 0.231297 O\n0.941363 0.158044 0.533556 O\n0.518008 0.429938 0.268703 O\n0.731216 0.992703 0.680008 O\n0.830894 0.735956 0.929527 O\n0.011861 0.925660 0.732371 O\n0.570217 0.180868 0.472046 O\n0.791964 0.283041 0.334276 O\n0.629646 0.524320 0.073807 O\n0.419948 0.909875 0.664172 O\n0.317483 0.484202 0.096165 O\n0.115309 0.198357 0.371706 O\n0.130088 0.625524 0.934215 O\n",
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},
{
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{
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}
]
}