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{
"id": "mp-23811",
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"structure_string": "Ca2 Ni2 B2 P4 H6 O20\n1.0\n4.214903 5.183852 0.000000\n-4.214903 5.183852 0.000000\n0.000000 4.005458 8.328261\nCa Ni B P H O\n2 2 2 4 6 20\ndirect\n0.125677 0.874323 0.750000 Ca\n0.874323 0.125677 0.250000 Ca\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.527604 0.472396 0.750000 B\n0.472396 0.527604 0.250000 B\n0.717447 0.847161 0.673048 P\n0.152839 0.282553 0.826952 P\n0.847161 0.717447 0.173048 P\n0.282553 0.152839 0.326952 P\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.694406 0.337412 0.914880 H\n0.662588 0.305594 0.585120 H\n0.337412 0.694406 0.414880 H\n0.305594 0.662588 0.085120 H\n0.529695 0.700314 0.743274 O\n0.560994 0.323153 0.898868 O\n0.700314 0.529695 0.243274 O\n0.470305 0.299686 0.256726 O\n0.299686 0.470305 0.756726 O\n0.676847 0.439006 0.601132 O\n0.970380 0.346433 0.970371 O\n0.653567 0.029620 0.529629 O\n0.029620 0.653567 0.029629 O\n0.346433 0.970380 0.470371 O\n0.439006 0.676847 0.101132 O\n0.731525 0.938562 0.113736 O\n0.938562 0.731525 0.613736 O\n0.268475 0.061438 0.886264 O\n0.938820 0.733764 0.298865 O\n0.266236 0.061180 0.201135 O\n0.061180 0.266236 0.701135 O\n0.733764 0.938820 0.798865 O\n0.323153 0.560994 0.398868 O\n0.061438 0.268475 0.386264 O\n",
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{
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"structure_string": "Na8 Be1 Al4 Si7 Br2 O24\n1.0\n9.043344 0.000000 0.000000\n0.000000 9.043344 0.000000\n0.000000 0.000000 9.093718\nNa Be Al Si Br O\n8 1 4 7 2 24\ndirect\n0.194210 0.314922 0.058921 Na\n0.685078 0.194210 0.941079 Na\n0.314922 0.805790 0.941079 Na\n0.805790 0.685078 0.058921 Na\n0.709042 0.813816 0.554810 Na\n0.186184 0.709042 0.445190 Na\n0.813816 0.290958 0.445190 Na\n0.290958 0.186184 0.554810 Na\n0.000000 0.000000 0.500000 Be\n0.752167 0.499499 0.750143 Al\n0.500501 0.752167 0.249857 Al\n0.499499 0.247833 0.249857 Al\n0.247833 0.500501 0.750143 Al\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.758861 0.996695 0.254652 Si\n0.241139 0.003305 0.254652 Si\n0.500000 0.500000 0.500000 Si\n0.996695 0.241139 0.745348 Si\n0.003305 0.758861 0.745348 Si\n0.500000 0.000000 0.752612 Br\n0.000000 0.500000 0.247388 Br\n0.354147 0.456918 0.904299 O\n0.854251 0.340432 0.795043 O\n0.145749 0.659568 0.795043 O\n0.961526 0.855773 0.899021 O\n0.645853 0.543082 0.904299 O\n0.543082 0.354147 0.095701 O\n0.144227 0.961526 0.100979 O\n0.038474 0.144227 0.899021 O\n0.855773 0.038474 0.100979 O\n0.456918 0.645853 0.095701 O\n0.659568 0.854251 0.204957 O\n0.856744 0.960035 0.396450 O\n0.340841 0.856028 0.283772 O\n0.659159 0.143972 0.283772 O\n0.340432 0.145749 0.204957 O\n0.456637 0.352963 0.404767 O\n0.143256 0.039965 0.396450 O\n0.039965 0.856744 0.603550 O\n0.647037 0.456637 0.595233 O\n0.543363 0.647037 0.404767 O\n0.960035 0.143256 0.603550 O\n0.352963 0.543363 0.595233 O\n0.143972 0.340841 0.716228 O\n0.856028 0.659159 0.716228 O\n",
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],
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"formula_full": "Na8 Be1 Al4 Si7 Br2 O24",
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},
{
"id": "mp-1173728",
"created_at": "2022-09-04T14:40:30.688871Z",
"structure_string": "Na4 Mn2 Cd2 Fe2 P6 O24\n1.0\n6.425747 6.143399 0.000000\n-6.425747 6.143399 0.000000\n0.000000 2.749584 6.051796\nNa Mn Cd Fe P O\n4 2 2 2 6 24\ndirect\n0.980070 0.019930 0.500000 Na\n0.024637 0.975363 0.000000 Na\n0.501837 0.498279 0.250698 Na\n0.501721 0.498163 0.749302 Na\n0.375348 0.070909 0.611037 Mn\n0.929091 0.624652 0.388963 Mn\n0.270896 0.729104 0.500000 Cd\n0.730117 0.269883 0.000000 Cd\n0.617560 0.933063 0.883785 Fe\n0.066937 0.382440 0.116215 Fe\n0.659187 0.872096 0.375551 P\n0.127904 0.340813 0.624449 P\n0.342829 0.132471 0.121714 P\n0.867529 0.657171 0.878286 P\n0.719726 0.280274 0.500000 P\n0.284530 0.715470 0.000000 P\n0.154161 0.165712 0.656622 O\n0.834288 0.845839 0.343378 O\n0.815365 0.825349 0.874254 O\n0.174651 0.184635 0.125746 O\n0.256381 0.827037 0.792003 O\n0.172963 0.743619 0.207997 O\n0.739701 0.153147 0.709647 O\n0.846853 0.260299 0.290353 O\n0.316548 0.008340 0.350885 O\n0.991660 0.683452 0.649115 O\n0.655342 0.991828 0.149234 O\n0.008172 0.344658 0.850766 O\n0.280284 0.455481 0.571380 O\n0.544519 0.719716 0.428620 O\n0.720881 0.537526 0.924583 O\n0.462474 0.279119 0.075417 O\n0.557632 0.260198 0.466035 O\n0.739802 0.442368 0.533965 O\n0.459479 0.740813 0.001397 O\n0.259187 0.540521 0.998603 O\n0.605012 0.946353 0.566575 O\n0.053647 0.394988 0.433425 O\n0.403276 0.052197 0.938044 O\n0.947803 0.596724 0.061956 O\n",
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"formula_full": "Na4 Mn2 Cd2 Fe2 P6 O24",
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{
"id": "mp-640564",
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"structure_string": "Ag2 Sb2 C12 N8 O4 F12\n1.0\n5.171390 5.983753 0.000000\n-5.171390 5.983753 0.000000\n0.000000 0.048039 10.688679\nAg Sb C N O F\n2 2 12 8 4 12\ndirect\n0.303065 0.696935 0.750000 Ag\n0.696935 0.303065 0.250000 Ag\n0.702373 0.297627 0.750000 Sb\n0.297627 0.702373 0.250000 Sb\n0.226014 0.052632 0.941680 C\n0.184437 0.215889 0.007955 C\n0.792527 0.635067 0.069530 C\n0.815563 0.784111 0.992045 C\n0.215889 0.184437 0.507955 C\n0.052632 0.226014 0.441680 C\n0.364933 0.207473 0.430470 C\n0.784111 0.815563 0.492045 C\n0.635067 0.792527 0.569530 C\n0.947368 0.773986 0.558320 C\n0.207473 0.364933 0.930470 C\n0.773986 0.947368 0.058320 C\n0.256430 0.923797 0.888689 N\n0.772233 0.520518 0.133189 N\n0.520518 0.772233 0.633189 N\n0.076203 0.743570 0.611311 N\n0.923797 0.256430 0.388689 N\n0.743570 0.076203 0.111311 N\n0.227767 0.479482 0.866811 N\n0.479482 0.227767 0.366811 N\n0.225972 0.135687 0.616032 O\n0.135687 0.225972 0.116032 O\n0.774028 0.864313 0.383968 O\n0.864313 0.774028 0.883968 O\n0.895266 0.228425 0.857477 F\n0.104734 0.771575 0.142523 F\n0.630919 0.491359 0.855300 F\n0.228425 0.895266 0.357477 F\n0.491359 0.630919 0.355300 F\n0.508641 0.369081 0.644700 F\n0.838018 0.431508 0.652177 F\n0.161982 0.568492 0.347823 F\n0.369081 0.508641 0.144700 F\n0.568492 0.161982 0.847823 F\n0.771575 0.104734 0.642523 F\n0.431508 0.838018 0.152177 F\n",
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{
"id": "mp-1101144",
"created_at": "2022-09-04T14:40:35.986262Z",
"structure_string": "Te8 As8 S4 I24 O8 F48\n1.0\n14.305211 0.000000 0.000000\n1.532939 14.357138 0.000000\n0.153090 1.231020 14.560133\nTe As S I O F\n8 8 4 24 8 48\ndirect\n0.660617 0.297195 0.196795 Te\n0.586215 0.208180 0.778713 Te\n0.076105 0.220923 0.617554 Te\n0.065516 0.248069 0.409093 Te\n0.840494 0.809357 0.360029 Te\n0.891453 0.708946 0.529595 Te\n0.442481 0.684095 0.131842 Te\n0.430722 0.758058 0.933478 Te\n0.494455 0.034053 0.996514 As\n0.346967 0.293865 0.478354 As\n0.843135 0.145309 0.012248 As\n0.068899 0.520393 0.390032 As\n0.356854 0.480997 0.002235 As\n0.161283 0.762160 0.913080 As\n0.625344 0.667695 0.533177 As\n0.935408 0.968925 0.552020 As\n0.306160 0.103773 0.129976 S\n0.738008 0.304248 0.487678 S\n0.275822 0.798456 0.498455 S\n0.764620 0.664442 0.940700 S\n0.158994 0.040233 0.167312 I\n0.112206 0.116406 0.806536 I\n0.742817 0.130237 0.697132 I\n0.705503 0.172991 0.390461 I\n0.407684 0.098539 0.261325 I\n0.343750 0.169511 0.696943 I\n0.922384 0.356172 0.748401 I\n0.870288 0.417318 0.154062 I\n0.165457 0.384087 0.196778 I\n0.177680 0.381710 0.915128 I\n0.560090 0.437723 0.275418 I\n0.576157 0.380080 0.688373 I\n0.405664 0.628446 0.319890 I\n0.290847 0.631398 0.677809 I\n0.815412 0.619038 0.098388 I\n0.861291 0.583602 0.830860 I\n0.055525 0.654607 0.772715 I\n0.069125 0.692956 0.180091 I\n0.603279 0.909264 0.324634 I\n0.591094 0.916900 0.635974 I\n0.229602 0.887843 0.354698 I\n0.303743 0.912845 0.601242 I\n0.917604 0.957664 0.165524 I\n0.981120 0.991414 0.892913 I\n0.202692 0.207427 0.714745 O\n0.743800 0.391872 0.429281 O\n0.115211 0.626260 0.288003 O\n0.187506 0.705890 0.740654 O\n0.697760 0.803415 0.353128 O\n0.635507 0.792909 0.647368 O\n0.861831 0.064492 0.921976 O\n0.828217 0.069468 0.113137 O\n0.634692 0.906999 0.192378 F\n0.589611 0.938017 0.766493 F\n0.457386 0.226554 0.474579 F\n0.959198 0.166086 0.600902 F\n0.014765 0.131220 0.402442 F\n0.513032 0.143451 0.674147 F\n0.191516 0.172502 0.402006 F\n0.136513 0.102524 0.585418 F\n0.461041 0.156665 0.989556 F\n0.914132 0.286832 0.209585 F\n0.905150 0.224459 0.802695 F\n0.596443 0.049088 0.928154 F\n0.076698 0.418772 0.481853 F\n0.359209 0.350392 0.367367 F\n0.385405 0.384808 0.537124 F\n0.933967 0.297134 0.434415 F\n0.639337 0.354440 0.071468 F\n0.664793 0.249147 0.874082 F\n0.154404 0.326001 0.076236 F\n0.382922 0.375298 0.071432 F\n0.432888 0.448412 0.913161 F\n0.963689 0.161715 0.025517 F\n0.172485 0.448876 0.340516 F\n0.196816 0.421794 0.785141 F\n0.935593 0.501143 0.701124 F\n0.844616 0.685492 0.309097 F\n0.066582 0.788901 0.991816 F\n0.449180 0.537727 0.065248 F\n0.534125 0.670743 0.904589 F\n0.114108 0.600553 0.090861 F\n0.312414 0.669462 0.115916 F\n0.350211 0.652044 0.912721 F\n0.133742 0.581127 0.461445 F\n0.634444 0.585495 0.448283 F\n0.662599 0.583154 0.624672 F\n0.911232 0.588214 0.476819 F\n0.242686 0.826046 0.971442 F\n0.005039 0.817424 0.246937 F\n0.124193 0.866227 0.840334 F\n0.528470 0.835558 0.976913 F\n0.808608 0.924753 0.432246 F\n0.879461 0.868338 0.601095 F\n0.571883 0.911269 0.464726 F\n0.018829 0.954861 0.641032 F\n0.007465 0.905677 0.475398 F\n0.503222 0.659975 0.553282 F\n0.413018 0.812401 0.157592 F\n0.420598 0.015375 0.905283 F\n",
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"formula_full": "Te8 As8 S4 I24 O8 F48",
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{
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"structure_string": "Ca2 Ti1 Al1 Si2 O9 F1\n1.0\n5.425061 0.000000 0.000000\n-1.472928 5.267969 0.000000\n-1.777073 -2.404337 6.493706\nCa Ti Al Si O F\n2 1 1 2 9 1\ndirect\n0.170999 0.840099 0.755699 Ca\n0.828746 0.161486 0.244372 Ca\n0.506173 0.493365 0.478182 Ti\n0.501059 0.498894 0.004191 Al\n0.178492 0.810200 0.244715 Si\n0.820047 0.190797 0.756848 Si\n0.606408 0.196923 0.884539 O\n0.187924 0.609841 0.385285 O\n0.390377 0.804120 0.114695 O\n0.813848 0.392652 0.618596 O\n0.253039 0.120048 0.407718 O\n0.130017 0.259405 0.907997 O\n0.743721 0.879348 0.598649 O\n0.869600 0.741465 0.090275 O\n0.569540 0.428943 0.246521 O\n0.430009 0.572415 0.761718 F\n",
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{
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{
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{
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