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{
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{
"id": "mp-1202327",
"created_at": "2022-09-04T14:39:42.906468Z",
"structure_string": "Al1 Cu4 Sb1 Pb6 S2 Cl4 O26\n1.0\n3.604819 9.417895 0.000000\n-3.604819 9.417895 0.000000\n0.000000 4.756056 9.529689\nAl Cu Sb Pb S Cl O\n1 4 1 6 2 4 26\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.112126 0.112126 0.609956 Cu\n0.887874 0.887874 0.390044 Cu\n0.000000 0.000000 0.000000 Sb\n0.190466 0.190466 0.823951 Pb\n0.809534 0.809534 0.176049 Pb\n0.174888 0.699218 0.790709 Pb\n0.699218 0.174888 0.790709 Pb\n0.825112 0.300782 0.209291 Pb\n0.300782 0.825112 0.209291 Pb\n0.265219 0.265219 0.076619 S\n0.734781 0.734781 0.923381 S\n0.342242 0.342242 0.656672 Cl\n0.657758 0.657758 0.343328 Cl\n0.466693 0.466693 0.201205 Cl\n0.533307 0.533307 0.798795 Cl\n0.980463 0.980463 0.198943 O\n0.019537 0.019537 0.801057 O\n0.232193 0.232193 0.449627 O\n0.767807 0.767807 0.550373 O\n0.092336 0.092336 0.309708 O\n0.907664 0.907664 0.690292 O\n0.899657 0.271612 0.972462 O\n0.271612 0.899657 0.972462 O\n0.100343 0.728388 0.027538 O\n0.728388 0.100343 0.027538 O\n0.878248 0.225783 0.561474 O\n0.225783 0.878248 0.561474 O\n0.121752 0.774217 0.438526 O\n0.774217 0.121752 0.438526 O\n0.980597 0.350862 0.666764 O\n0.350862 0.980597 0.666764 O\n0.019403 0.649138 0.333236 O\n0.649138 0.019403 0.333236 O\n0.197864 0.197864 0.031640 O\n0.802136 0.802136 0.968360 O\n0.342572 0.342572 0.943110 O\n0.657428 0.657428 0.056890 O\n0.086747 0.426272 0.156671 O\n0.426272 0.086747 0.156671 O\n0.913253 0.573728 0.843329 O\n0.573728 0.913253 0.843329 O\n",
"nsites": 44,
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"elements": [
"Al",
"Cu",
"Sb",
"Pb",
"S",
"Cl",
"O"
],
"chemical_system": "Al-Cl-Cu-O-Pb-S-Sb",
"density": 5.82044329016386,
"density_atomic": 0.0679996450063396,
"volume": 647.0622015144032,
"volume_molar": 8.856135586352776,
"formula_full": "Al1 Cu4 Sb1 Pb6 S2 Cl4 O26",
"formula_reduced": "AlCu4SbPb6S2(Cl2O13)2",
"formula_anonymous": "ABC2D4E4F6G26",
"energy": -245.99467706,
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"updated_at": "2021-11-28T01:34:26.695000Z",
"spacegroup": 12
},
{
"id": "mp-568259",
"created_at": "2022-09-04T14:41:29.873611Z",
"structure_string": "Ta4 Si8 P4 H72 C24 N8 Cl24\n1.0\n12.879334 0.000000 0.000000\n0.000000 9.580959 0.000000\n0.000000 3.977494 17.488314\nTa Si P H C N Cl\n4 8 4 72 24 8 24\ndirect\n0.426738 0.491887 0.897320 Ta\n0.573262 0.508113 0.102680 Ta\n0.926738 0.508113 0.602680 Ta\n0.073262 0.491887 0.397320 Ta\n0.088660 0.714829 0.132120 Si\n0.411340 0.714829 0.632120 Si\n0.243946 0.978629 0.129196 Si\n0.756054 0.021371 0.870804 Si\n0.743946 0.021371 0.370804 Si\n0.256054 0.978629 0.629196 Si\n0.911340 0.285171 0.867880 Si\n0.588660 0.285171 0.367880 Si\n0.807461 0.240522 0.726302 P\n0.692539 0.240522 0.226302 P\n0.192539 0.759478 0.273698 P\n0.307461 0.759478 0.773698 P\n0.832387 0.790547 0.934435 H\n0.603582 0.001838 0.785309 H\n0.810349 0.271985 0.988363 H\n0.433990 0.466384 0.712729 H\n0.889970 0.116342 0.998676 H\n0.397388 0.280841 0.377613 H\n0.361248 0.159908 0.150921 H\n0.913885 0.878398 0.858312 H\n0.287356 0.937353 0.998345 H\n0.667613 0.790547 0.434435 H\n0.110030 0.883658 0.001324 H\n0.413885 0.121602 0.641688 H\n0.086115 0.121602 0.141688 H\n0.916066 0.930348 0.947573 H\n0.586115 0.878398 0.358312 H\n0.312664 0.483343 0.663767 H\n0.053843 0.715820 0.999788 H\n0.946157 0.284180 0.000212 H\n0.436351 0.268543 0.284541 H\n0.389970 0.883658 0.501324 H\n0.066010 0.466384 0.212729 H\n0.056846 0.114875 0.861351 H\n0.209913 0.101563 0.736630 H\n0.396418 0.998162 0.214691 H\n0.128003 0.840482 0.569707 H\n0.871997 0.159518 0.430293 H\n0.687336 0.516657 0.336233 H\n0.943154 0.885125 0.138649 H\n0.070817 0.472450 0.112967 H\n0.689651 0.271985 0.488363 H\n0.371997 0.840482 0.069707 H\n0.063649 0.268543 0.784541 H\n0.933990 0.533616 0.787271 H\n0.553843 0.284180 0.500212 H\n0.416066 0.069652 0.552427 H\n0.929183 0.527550 0.887033 H\n0.787356 0.062647 0.501655 H\n0.566010 0.533616 0.287271 H\n0.897388 0.719159 0.122387 H\n0.610030 0.116342 0.498676 H\n0.861248 0.840092 0.349079 H\n0.709913 0.898437 0.763370 H\n0.602612 0.719159 0.622387 H\n0.583934 0.930348 0.447573 H\n0.812664 0.516657 0.836233 H\n0.189651 0.728015 0.011637 H\n0.712644 0.062647 0.001655 H\n0.385977 0.028408 0.037390 H\n0.563649 0.731457 0.715459 H\n0.570817 0.527550 0.387033 H\n0.083934 0.069652 0.052427 H\n0.138752 0.159908 0.650921 H\n0.614023 0.971592 0.962610 H\n0.187336 0.483343 0.163767 H\n0.446157 0.715820 0.499788 H\n0.628003 0.159518 0.930293 H\n0.443154 0.114875 0.361351 H\n0.556846 0.885125 0.638649 H\n0.290087 0.101563 0.236630 H\n0.790087 0.898437 0.263370 H\n0.212644 0.937353 0.498345 H\n0.167613 0.209453 0.065565 H\n0.103582 0.998162 0.714691 H\n0.885977 0.971592 0.462610 H\n0.936351 0.731457 0.215459 H\n0.429183 0.472450 0.612967 H\n0.638752 0.840092 0.849079 H\n0.310349 0.728015 0.511637 H\n0.102612 0.280841 0.877613 H\n0.114023 0.028408 0.537390 H\n0.896418 0.001838 0.285309 H\n0.332387 0.209453 0.565565 H\n0.105432 0.515849 0.159285 C\n0.045578 0.231454 0.845615 C\n0.328787 0.941066 0.051203 C\n0.829905 0.935428 0.309351 C\n0.394568 0.515849 0.659285 C\n0.170095 0.064572 0.690649 C\n0.670095 0.935428 0.809351 C\n0.385304 0.768752 0.526768 C\n0.865524 0.894792 0.906183 C\n0.605432 0.484151 0.340715 C\n0.634476 0.894792 0.406183 C\n0.614696 0.231248 0.473232 C\n0.885304 0.231248 0.973232 C\n0.171213 0.941066 0.551203 C\n0.894568 0.484151 0.840715 C\n0.329905 0.064572 0.190649 C\n0.365524 0.105208 0.593817 C\n0.954422 0.768546 0.154385 C\n0.545578 0.768546 0.654385 C\n0.671213 0.058934 0.948797 C\n0.454422 0.231454 0.345615 C\n0.828787 0.058934 0.448797 C\n0.134476 0.105208 0.093817 C\n0.114696 0.768752 0.026768 C\n0.682157 0.189881 0.318126 N\n0.626902 0.375021 0.185396 N\n0.373098 0.624979 0.814604 N\n0.182157 0.810119 0.181874 N\n0.873098 0.375021 0.685396 N\n0.317843 0.810119 0.681874 N\n0.126902 0.624979 0.314604 N\n0.817843 0.189881 0.818126 N\n0.894364 0.726537 0.636348 Cl\n0.514861 0.328686 0.031334 Cl\n0.014861 0.671314 0.468666 Cl\n0.153884 0.922830 0.323856 Cl\n0.985139 0.328686 0.531334 Cl\n0.774563 0.538011 0.527684 Cl\n0.846116 0.077170 0.676144 Cl\n0.097985 0.510585 0.648511 Cl\n0.725437 0.538011 0.027684 Cl\n0.343807 0.723677 0.302870 Cl\n0.156193 0.723677 0.802870 Cl\n0.394364 0.273463 0.863652 Cl\n0.653884 0.077170 0.176144 Cl\n0.225437 0.461989 0.472316 Cl\n0.843807 0.276323 0.197130 Cl\n0.485139 0.671314 0.968666 Cl\n0.274563 0.461989 0.972316 Cl\n0.597985 0.489415 0.851489 Cl\n0.346116 0.922830 0.823856 Cl\n0.402015 0.510585 0.148511 Cl\n0.656193 0.276323 0.697130 Cl\n0.105636 0.273463 0.363652 Cl\n0.605636 0.726537 0.136348 Cl\n0.902015 0.489415 0.351489 Cl\n",
"nsites": 144,
"nelements": 7,
"elements": [
"Ta",
"Si",
"P",
"H",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-N-P-Si-Ta",
"density": 1.8437760701686137,
"density_atomic": 0.06672862287909448,
"volume": 2157.9944825313337,
"volume_molar": 9.024823981324342,
"formula_full": "Ta4 Si8 P4 H72 C24 N8 Cl24",
"formula_reduced": "TaSi2PH18C6(NCl3)2",
"formula_anonymous": "ABC2D2E6F6G18",
"energy": -773.19793823,
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"updated_at": "2021-11-28T01:35:25.358000Z",
"spacegroup": 14
},
{
"id": "mp-1194814",
"created_at": "2022-09-04T14:44:20.501153Z",
"structure_string": "Hg2 Te10 H72 C24 N6 O10 F50\n1.0\n7.533375 8.443733 0.000000\n-7.533375 8.443733 0.000000\n0.000000 0.134204 16.968730\nHg Te H C N O F\n2 10 72 24 6 10 50\ndirect\n0.909591 0.327717 0.656318 Hg\n0.327717 0.909591 0.156318 Hg\n0.848525 0.466391 0.452024 Te\n0.466391 0.848525 0.952024 Te\n0.153606 0.094408 0.648362 Te\n0.094408 0.153606 0.148362 Te\n0.108391 0.568492 0.680801 Te\n0.568492 0.108391 0.180801 Te\n0.663516 0.137268 0.615116 Te\n0.137268 0.663516 0.115116 Te\n0.787761 0.380167 0.862559 Te\n0.380167 0.787761 0.362559 Te\n0.783699 0.810025 0.401430 H\n0.810025 0.783699 0.901430 H\n0.741588 0.934919 0.337827 H\n0.934919 0.741588 0.837827 H\n0.750097 0.956097 0.442193 H\n0.956097 0.750097 0.942193 H\n0.491918 0.291087 0.454201 H\n0.291087 0.491918 0.954201 H\n0.473822 0.423090 0.394139 H\n0.423090 0.473822 0.894139 H\n0.484647 0.278541 0.349339 H\n0.278541 0.484647 0.849339 H\n0.314691 0.363668 0.528986 H\n0.363668 0.314691 0.028986 H\n0.177140 0.405830 0.479358 H\n0.405830 0.177140 0.979358 H\n0.296694 0.496018 0.468467 H\n0.496018 0.296694 0.968467 H\n0.492481 0.854229 0.694029 H\n0.854229 0.492481 0.194029 H\n0.377615 0.779105 0.650805 H\n0.779105 0.377615 0.150805 H\n0.486848 0.836551 0.588942 H\n0.836551 0.486848 0.088942 H\n0.296657 0.335285 0.281072 H\n0.335285 0.296657 0.781072 H\n0.285286 0.479534 0.326390 H\n0.479534 0.285286 0.826390 H\n0.166390 0.388516 0.336857 H\n0.388516 0.166390 0.836857 H\n0.965934 0.762448 0.323695 H\n0.762448 0.965934 0.823695 H\n0.063747 0.874125 0.307036 H\n0.874125 0.063747 0.807036 H\n0.921358 0.888552 0.260809 H\n0.888552 0.921358 0.760809 H\n0.977344 0.789089 0.465280 H\n0.789089 0.977344 0.965280 H\n0.943334 0.934664 0.507129 H\n0.934664 0.943334 0.007129 H\n0.076672 0.900109 0.450112 H\n0.900109 0.076672 0.950112 H\n0.536391 0.640265 0.531289 H\n0.640265 0.536391 0.031289 H\n0.426719 0.583124 0.593341 H\n0.583124 0.426719 0.093341 H\n0.578153 0.513937 0.593525 H\n0.513937 0.578153 0.093525 H\n0.330130 0.168939 0.468002 H\n0.168939 0.330130 0.968002 H\n0.322188 0.156600 0.362736 H\n0.156600 0.322188 0.862736 H\n0.191921 0.210778 0.418589 H\n0.210778 0.191921 0.918589 H\n0.696247 0.760357 0.694901 H\n0.760357 0.696247 0.194901 H\n0.692663 0.741552 0.590342 H\n0.741552 0.692663 0.090342 H\n0.732569 0.615100 0.653148 H\n0.615100 0.732569 0.153148 H\n0.019682 0.069230 0.364377 H\n0.069230 0.019682 0.864377 H\n0.886462 0.105345 0.421736 H\n0.105345 0.886462 0.921736 H\n0.877511 0.085338 0.317113 H\n0.085338 0.877511 0.817113 H\n0.547205 0.682200 0.778058 H\n0.682200 0.547205 0.278058 H\n0.584588 0.538323 0.735117 H\n0.538323 0.584588 0.235117 H\n0.432889 0.607071 0.734206 H\n0.607071 0.432889 0.234206 H\n0.788764 0.905151 0.391850 C\n0.905151 0.788764 0.891850 C\n0.452318 0.331530 0.400361 C\n0.331530 0.452318 0.900361 C\n0.273840 0.405094 0.475786 C\n0.405094 0.273840 0.975786 C\n0.470781 0.795983 0.646185 C\n0.795983 0.470781 0.146185 C\n0.262987 0.388153 0.331950 C\n0.388153 0.262987 0.831950 C\n0.970839 0.857517 0.313644 C\n0.857517 0.970839 0.813644 C\n0.983459 0.884297 0.456930 C\n0.884297 0.983459 0.956930 C\n0.520320 0.597971 0.587913 C\n0.597971 0.520320 0.087913 C\n0.288789 0.207975 0.414244 C\n0.207975 0.288789 0.914244 C\n0.677155 0.700426 0.647435 C\n0.700426 0.677155 0.147435 C\n0.925682 0.056164 0.370814 C\n0.056164 0.925682 0.870814 C\n0.526595 0.622305 0.730957 C\n0.622305 0.526596 0.230957 C\n0.548582 0.679534 0.652974 N\n0.679534 0.548582 0.152974 N\n0.319483 0.333261 0.405520 N\n0.333261 0.319483 0.905520 N\n0.917129 0.925685 0.383408 N\n0.925685 0.917129 0.883408 N\n0.804540 0.428126 0.551919 O\n0.428126 0.804540 0.051919 O\n0.800104 0.172939 0.662220 O\n0.172939 0.800104 0.162220 O\n0.803307 0.430718 0.761133 O\n0.430718 0.803307 0.261133 O\n0.051200 0.447725 0.627517 O\n0.447725 0.051200 0.127517 O\n0.056597 0.192440 0.712969 O\n0.192440 0.056597 0.212969 O\n0.594810 0.086937 0.710254 F\n0.086937 0.594810 0.210254 F\n0.977958 0.343763 0.440965 F\n0.343763 0.977958 0.940965 F\n0.933327 0.277538 0.867796 F\n0.277538 0.933327 0.367796 F\n0.575690 0.290751 0.624589 F\n0.290751 0.575690 0.124589 F\n0.160180 0.642522 0.588158 F\n0.642522 0.160180 0.088158 F\n0.964450 0.673898 0.682353 F\n0.673898 0.964450 0.182353 F\n0.708795 0.173196 0.509976 F\n0.173196 0.708795 0.009976 F\n0.745554 0.370174 0.400453 F\n0.370174 0.745554 0.900453 F\n0.248519 0.025266 0.732499 F\n0.025266 0.248519 0.232499 F\n0.860530 0.506049 0.909244 F\n0.506049 0.860530 0.409244 F\n0.889372 0.508314 0.347099 F\n0.508314 0.889372 0.847099 F\n0.172861 0.693221 0.734794 F\n0.693221 0.172861 0.234794 F\n0.074333 0.514672 0.784342 F\n0.514672 0.074333 0.284342 F\n0.267059 0.204030 0.630947 F\n0.204030 0.267059 0.130947 F\n0.253708 0.993366 0.581446 F\n0.993366 0.253708 0.081446 F\n0.766976 0.331299 0.968550 F\n0.331299 0.766976 0.468550 F\n0.266204 0.488210 0.690748 F\n0.488210 0.266204 0.190748 F\n0.074799 0.146415 0.552598 F\n0.146415 0.074799 0.052598 F\n0.705955 0.246492 0.838635 F\n0.246492 0.705955 0.338635 F\n0.956483 0.576768 0.479545 F\n0.576768 0.956483 0.979545 F\n0.726017 0.975389 0.596711 F\n0.975389 0.726017 0.096711 F\n0.635752 0.470520 0.877711 F\n0.470520 0.635752 0.377711 F\n0.727943 0.598351 0.442660 F\n0.598351 0.727943 0.942660 F\n0.060692 0.964281 0.653811 F\n0.964281 0.060692 0.153811 F\n0.524092 0.094562 0.566769 F\n0.094562 0.524092 0.066769 F\n",
"nsites": 174,
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"elements": [
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"Te",
"H",
"C",
"N",
"O",
"F"
],
"chemical_system": "C-F-H-Hg-N-O-Te",
"density": 2.4860625000786727,
"density_atomic": 0.08060200306857747,
"volume": 2158.755283686412,
"volume_molar": 7.471452979743278,
"formula_full": "Hg2 Te10 H72 C24 N6 O10 F50",
"formula_reduced": "HgTe5H36C12N3(OF5)5",
"formula_anonymous": "AB3C5D5E12F25G36",
"energy": -879.34445579,
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"energy_uncorrected": -847.20845579,
"band_gap": 2.0657,
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"updated_at": "2021-11-28T01:36:34.438000Z",
"spacegroup": 9
},
{
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{
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{
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{
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"structure_string": "Ca4 Al4 Fe2 Si8 B2 H2 O32\n1.0\n7.199548 0.000000 0.000000\n-1.303364 -8.988544 0.000000\n-2.041511 0.045588 -9.101845\nCa Al Fe Si B H O\n4 4 2 8 2 2 32\ndirect\n0.814065 0.919083 0.099569 Ca\n0.185935 0.080917 0.900431 Ca\n0.251711 0.607124 0.347113 Ca\n0.748289 0.392876 0.652887 Ca\n0.351497 0.420913 0.064177 Al\n0.052570 0.254222 0.199882 Al\n0.947430 0.745778 0.800118 Al\n0.648503 0.579087 0.935823 Al\n0.232526 0.890861 0.586895 Fe\n0.767474 0.109139 0.413105 Fe\n0.358204 0.768651 0.020861 Si\n0.219847 0.523508 0.724766 Si\n0.791953 0.765621 0.450687 Si\n0.208047 0.234379 0.549313 Si\n0.696028 0.010277 0.744292 Si\n0.780153 0.476492 0.275234 Si\n0.303972 0.989723 0.255708 Si\n0.641796 0.231349 0.979139 Si\n0.537951 0.711878 0.634753 B\n0.462049 0.288122 0.365247 B\n0.989601 0.374926 0.958466 H\n0.010399 0.625074 0.041534 H\n0.875189 0.933709 0.843274 O\n0.324752 0.353333 0.253845 O\n0.204319 0.821961 0.878225 O\n0.795681 0.178039 0.121775 O\n0.277835 0.615516 0.101505 O\n0.722165 0.384484 0.898495 O\n0.564446 0.754661 0.983696 O\n0.435554 0.245339 0.016304 O\n0.400149 0.913373 0.135253 O\n0.599851 0.086627 0.864747 O\n0.238089 0.861930 0.366294 O\n0.761911 0.138070 0.633706 O\n0.124811 0.066291 0.156726 O\n0.675248 0.646667 0.746155 O\n0.096775 0.321956 0.006902 O\n0.903225 0.678044 0.993098 O\n0.049480 0.189551 0.396520 O\n0.950520 0.810449 0.603480 O\n0.226133 0.097125 0.661264 O\n0.773867 0.902875 0.338736 O\n0.416810 0.309510 0.511372 O\n0.583190 0.690490 0.488628 O\n0.134077 0.369527 0.628266 O\n0.469238 0.125228 0.341277 O\n0.021185 0.565665 0.754837 O\n0.978815 0.434335 0.245163 O\n0.329664 0.640415 0.618158 O\n0.670336 0.359585 0.381842 O\n0.380168 0.496831 0.873158 O\n0.619832 0.503169 0.126842 O\n0.530762 0.874772 0.658723 O\n0.865923 0.630473 0.371734 O\n",
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{
"id": "mp-605172",
"created_at": "2022-09-04T14:39:25.493187Z",
"structure_string": "Cu6 As4 H32 C32 Br6 N4 O4\n1.0\n10.285088 0.000000 0.000000\n4.399267 11.003448 0.000000\n1.960855 3.955237 11.021727\nCu As H C Br N O\n6 4 32 32 6 4 4\ndirect\n0.085590 0.661756 0.760084 Cu\n0.848754 0.138511 0.451540 Cu\n0.808582 0.815809 0.636590 Cu\n0.151246 0.861489 0.548460 Cu\n0.914410 0.338244 0.239916 Cu\n0.191418 0.184191 0.363410 Cu\n0.615053 0.165798 0.421562 As\n0.425478 0.051118 0.331336 As\n0.574522 0.948882 0.668664 As\n0.384947 0.834202 0.578438 As\n0.372159 0.329773 0.370339 H\n0.512323 0.918165 0.889744 H\n0.427742 0.083318 0.797923 H\n0.479267 0.346994 0.076005 H\n0.572258 0.916682 0.202077 H\n0.611373 0.026085 0.826816 H\n0.653615 0.654746 0.076289 H\n0.135011 0.160362 0.079937 H\n0.108576 0.369815 0.914910 H\n0.496172 0.613637 0.730559 H\n0.849774 0.031422 0.968343 H\n0.521990 0.605808 0.581151 H\n0.627841 0.670227 0.629661 H\n0.150226 0.968578 0.031657 H\n0.117881 0.386159 0.700886 H\n0.152829 0.981816 0.819547 H\n0.539506 0.674312 0.272839 H\n0.864989 0.839638 0.920063 H\n0.849225 0.305549 0.837268 H\n0.713579 0.298720 0.687211 H\n0.286421 0.701280 0.312789 H\n0.150775 0.694451 0.162732 H\n0.520733 0.653006 0.923995 H\n0.503828 0.386363 0.269441 H\n0.891424 0.630185 0.085090 H\n0.460494 0.325688 0.727161 H\n0.882119 0.613841 0.299114 H\n0.478010 0.394192 0.418849 H\n0.388627 0.973915 0.173184 H\n0.487677 0.081835 0.110256 H\n0.346385 0.345254 0.923711 H\n0.847171 0.018184 0.180453 H\n0.125263 0.294236 0.772408 C\n0.524961 0.000394 0.812417 C\n0.260329 0.686864 0.143632 C\n0.475886 0.338405 0.363770 C\n0.145145 0.066605 0.839418 C\n0.337355 0.689466 0.228054 C\n0.543954 0.663221 0.095541 C\n0.134387 0.167155 0.986208 C\n0.874737 0.705764 0.227592 C\n0.739671 0.313136 0.856368 C\n0.249837 0.669485 0.946186 C\n0.877491 0.715578 0.106814 C\n0.531216 0.337965 0.990758 C\n0.456046 0.336779 0.904459 C\n0.524114 0.661595 0.636230 C\n0.144067 0.059346 0.959081 C\n0.854157 0.808807 0.377874 C\n0.137858 0.184204 0.745059 C\n0.750163 0.330515 0.053814 C\n0.855933 0.940654 0.040919 C\n0.862142 0.815796 0.254941 C\n0.478931 0.675991 0.205054 C\n0.865613 0.832845 0.013792 C\n0.521069 0.324009 0.794946 C\n0.673548 0.327291 0.966753 C\n0.122509 0.284422 0.893186 C\n0.468784 0.662035 0.009242 C\n0.475039 0.999606 0.187583 C\n0.662645 0.310534 0.771946 C\n0.145843 0.191193 0.622126 C\n0.854855 0.933395 0.160582 C\n0.326452 0.672709 0.033247 C\n0.806873 0.366599 0.428353 Br\n0.932334 0.968118 0.657904 Br\n0.067666 0.031882 0.342096 Br\n0.861025 0.625538 0.820182 Br\n0.193127 0.633401 0.571647 Br\n0.138975 0.374462 0.179818 Br\n0.187326 0.667086 0.873539 N\n0.812674 0.332914 0.126461 N\n0.154036 0.195804 0.521616 N\n0.845964 0.804196 0.478384 N\n0.510436 0.111942 0.557312 O\n0.418585 0.906649 0.678182 O\n0.581415 0.093351 0.321818 O\n0.489564 0.888058 0.442688 O\n",
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"formula_full": "Cu6 As4 H32 C32 Br6 N4 O4",
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}
]
}