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{
"id": "mp-1029418",
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{
"id": "mp-29843",
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"structure_string": "Bi8 Se8 Cl28\n1.0\n10.975319 0.000000 0.000000\n0.000000 10.975319 0.000000\n0.000000 0.000000 10.520505\nBi Se Cl\n8 8 28\ndirect\n0.267054 0.390429 0.349590 Bi\n0.890429 0.232946 0.349590 Bi\n0.109571 0.767054 0.349590 Bi\n0.732946 0.609571 0.349590 Bi\n0.232946 0.109571 0.650410 Bi\n0.609571 0.267054 0.650410 Bi\n0.390429 0.732946 0.650410 Bi\n0.767054 0.890429 0.650410 Bi\n0.128260 0.420682 0.892268 Se\n0.920682 0.371740 0.892268 Se\n0.079318 0.628260 0.892268 Se\n0.871740 0.579318 0.892268 Se\n0.371740 0.079318 0.107732 Se\n0.579318 0.128260 0.107732 Se\n0.420682 0.871740 0.107732 Se\n0.628260 0.920682 0.107732 Se\n0.000000 0.500000 0.328097 Cl\n0.500000 0.000000 0.671903 Cl\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.500000 Cl\n0.387705 0.198250 0.440201 Cl\n0.698250 0.112295 0.440201 Cl\n0.301750 0.887705 0.440201 Cl\n0.612295 0.801750 0.440201 Cl\n0.112295 0.301750 0.559799 Cl\n0.801750 0.387705 0.559799 Cl\n0.198250 0.612295 0.559799 Cl\n0.887705 0.698250 0.559799 Cl\n0.128308 0.233023 0.226615 Cl\n0.733023 0.371692 0.226615 Cl\n0.266977 0.628308 0.226615 Cl\n0.871692 0.766977 0.226615 Cl\n0.900313 0.854478 0.854508 Cl\n0.354478 0.599687 0.854508 Cl\n0.645522 0.400313 0.854508 Cl\n0.099687 0.145522 0.854508 Cl\n0.599687 0.645522 0.145492 Cl\n0.145522 0.900313 0.145492 Cl\n0.854478 0.099687 0.145492 Cl\n0.400313 0.354478 0.145492 Cl\n0.628308 0.733023 0.773385 Cl\n0.233023 0.871692 0.773385 Cl\n0.766977 0.128308 0.773385 Cl\n0.371692 0.266977 0.773385 Cl\n",
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{
"id": "mp-505185",
"created_at": "2022-09-04T14:41:19.236053Z",
"structure_string": "Na8 H64 O36\n1.0\n12.437709 0.000000 0.000000\n0.000000 6.526528 0.000000\n0.000000 2.789594 11.465974\nNa H O\n8 64 36\ndirect\n0.683351 0.580582 0.899592 Na\n0.183351 0.419418 0.600408 Na\n0.316649 0.419418 0.100408 Na\n0.816649 0.580582 0.399592 Na\n0.708668 0.407166 0.667075 Na\n0.208668 0.592834 0.832925 Na\n0.291332 0.592834 0.332925 Na\n0.791332 0.407166 0.167075 Na\n0.006585 0.133471 0.903306 H\n0.506585 0.866529 0.596694 H\n0.993415 0.866529 0.096694 H\n0.493415 0.133471 0.403306 H\n0.414147 0.014833 0.766586 H\n0.914147 0.985167 0.733414 H\n0.585853 0.985167 0.233414 H\n0.085853 0.014833 0.266586 H\n0.563826 0.424713 0.125998 H\n0.063826 0.575287 0.374002 H\n0.436174 0.575287 0.874002 H\n0.936174 0.424713 0.625998 H\n0.599740 0.219387 0.089690 H\n0.099740 0.780613 0.410310 H\n0.400260 0.780613 0.910310 H\n0.900260 0.219387 0.589690 H\n0.499489 0.571012 0.705239 H\n0.999489 0.428988 0.794761 H\n0.500511 0.428988 0.294761 H\n0.000511 0.571012 0.205239 H\n0.493430 0.336431 0.789714 H\n0.993430 0.663569 0.710286 H\n0.506570 0.663569 0.210286 H\n0.006570 0.336431 0.289714 H\n0.833976 0.224163 0.884996 H\n0.333976 0.775837 0.615004 H\n0.166024 0.775837 0.115004 H\n0.666024 0.224163 0.384996 H\n0.717356 0.112863 0.895254 H\n0.217356 0.887137 0.604746 H\n0.282644 0.887137 0.104746 H\n0.782644 0.112863 0.395254 H\n0.554801 0.965864 0.898182 H\n0.054801 0.034136 0.601818 H\n0.445199 0.034136 0.101818 H\n0.945199 0.965864 0.398182 H\n0.601485 0.903579 0.027025 H\n0.101485 0.096421 0.472975 H\n0.398515 0.096421 0.972975 H\n0.898515 0.903579 0.527025 H\n0.901351 0.479909 0.948674 H\n0.401351 0.520091 0.551326 H\n0.098649 0.520091 0.051326 H\n0.598649 0.479909 0.448674 H\n0.922691 0.663547 0.010166 H\n0.422691 0.336453 0.489834 H\n0.077309 0.336453 0.989834 H\n0.577309 0.663547 0.510166 H\n0.816629 0.796431 0.693217 H\n0.316629 0.203569 0.806783 H\n0.183371 0.203569 0.306783 H\n0.683371 0.796431 0.193217 H\n0.695699 0.870669 0.674847 H\n0.195699 0.129331 0.825153 H\n0.304301 0.129331 0.325153 H\n0.804301 0.870669 0.174847 H\n0.551978 0.103295 0.699803 H\n0.051978 0.896705 0.800197 H\n0.448022 0.896705 0.300197 H\n0.948022 0.103295 0.199803 H\n0.574110 0.155593 0.559025 H\n0.074110 0.844407 0.940975 H\n0.425890 0.844407 0.440975 H\n0.925890 0.155593 0.059025 H\n0.968236 0.248178 0.926318 O\n0.468236 0.751822 0.573682 O\n0.031764 0.751822 0.073682 O\n0.531764 0.248178 0.426318 O\n0.448617 0.082612 0.822370 O\n0.948617 0.917388 0.677630 O\n0.551383 0.917388 0.177630 O\n0.051383 0.082612 0.322370 O\n0.620118 0.367693 0.081276 O\n0.120118 0.632307 0.418724 O\n0.379882 0.632307 0.918724 O\n0.879882 0.367693 0.581276 O\n0.524450 0.481733 0.782083 O\n0.024450 0.518267 0.717917 O\n0.475550 0.518267 0.217917 O\n0.975550 0.481733 0.282083 O\n0.757587 0.243188 0.858561 O\n0.257587 0.756812 0.641439 O\n0.242413 0.756812 0.141439 O\n0.742413 0.243188 0.358561 O\n0.620055 0.905210 0.945266 O\n0.120055 0.094790 0.554734 O\n0.379945 0.094790 0.054734 O\n0.879945 0.905210 0.445266 O\n0.863301 0.587766 0.979065 O\n0.363301 0.412234 0.520935 O\n0.136699 0.412234 0.020935 O\n0.636699 0.587766 0.479065 O\n0.741255 0.744935 0.704783 O\n0.241255 0.255065 0.795217 O\n0.258745 0.255065 0.295217 O\n0.758745 0.744935 0.204783 O\n0.606394 0.095046 0.639592 O\n0.106394 0.904954 0.860408 O\n0.393606 0.904954 0.360408 O\n0.893606 0.095046 0.139592 O\n",
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"formula_full": "Na8 H64 O36",
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"spacegroup": 14
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{
"id": "mp-770839",
"created_at": "2022-09-04T14:41:31.216864Z",
"structure_string": "Li4 Cr4 C8 O24\n1.0\n2.333577 1.038756 -3.906114\n2.333106 19.931353 3.906616\n2.333202 -1.038789 3.905854\nLi Cr C O\n4 4 8 24\ndirect\n0.000000 0.000002 0.999992 Li\n0.500000 0.250000 0.249991 Li\n0.000002 0.499998 0.499990 Li\n0.500001 0.749999 0.749992 Li\n0.250012 0.624991 0.125001 Cr\n0.750025 0.874993 0.375022 Cr\n0.250011 0.125014 0.625004 Cr\n0.749948 0.375006 0.875011 Cr\n0.878394 0.182748 0.939182 C\n0.378319 0.432739 0.189193 C\n0.878359 0.682753 0.439171 C\n0.378378 0.932737 0.689203 C\n0.621677 0.067259 0.310813 C\n0.121611 0.317249 0.560831 C\n0.621633 0.567262 0.810803 C\n0.121654 0.817247 0.060841 C\n0.907354 0.066565 0.326502 O\n0.407388 0.316583 0.576572 O\n0.907304 0.566599 0.826569 O\n0.407301 0.816561 0.076522 O\n0.147546 0.183414 0.224114 O\n0.647498 0.433430 0.473996 O\n0.147442 0.683457 0.723898 O\n0.647451 0.933411 0.973992 O\n0.893343 0.183406 0.669122 O\n0.393121 0.433440 0.919105 O\n0.893142 0.683455 0.169158 O\n0.393241 0.933412 0.419206 O\n0.606888 0.066553 0.580892 O\n0.106673 0.316587 0.830870 O\n0.606711 0.566598 0.080770 O\n0.106808 0.816557 0.330829 O\n0.352512 0.066557 0.026032 O\n0.852457 0.316574 0.275913 O\n0.352560 0.566595 0.525990 O\n0.852548 0.816551 0.776062 O\n0.592611 0.183411 0.923411 O\n0.092643 0.433427 0.173477 O\n0.592728 0.683451 0.423501 O\n0.092707 0.933409 0.673454 O\n",
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{
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{
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"structure_string": "Li28 Fe4 O20 F4\n1.0\n2.826819 4.748651 0.128425\n0.017695 0.280671 10.873120\n8.478173 -4.747937 -0.110967\nLi Fe O F\n28 4 20 4\ndirect\n0.348387 0.763309 0.011091 Li\n0.848385 0.763323 0.511090 Li\n0.212709 0.633345 0.187123 Li\n0.712696 0.633343 0.687107 Li\n0.496207 0.911517 0.174806 Li\n0.996238 0.911516 0.674796 Li\n0.486934 0.429382 0.164232 Li\n0.986909 0.429374 0.664270 Li\n0.824576 0.758175 0.136787 Li\n0.324572 0.758198 0.636790 Li\n0.353331 0.774259 0.359378 Li\n0.853328 0.774252 0.859357 Li\n0.688023 0.627739 0.308508 Li\n0.187999 0.627740 0.808500 Li\n0.107196 0.271580 0.154073 Li\n0.607196 0.271583 0.654075 Li\n0.675718 0.264484 0.327407 Li\n0.175672 0.264487 0.827416 Li\n0.985065 0.929318 0.325746 Li\n0.485027 0.929316 0.825727 Li\n0.004726 0.412950 0.344709 Li\n0.504703 0.412954 0.844715 Li\n0.305230 0.129458 0.304857 Li\n0.805190 0.129479 0.804862 Li\n0.880329 0.130194 0.482948 Li\n0.380255 0.130189 0.982943 Li\n0.204692 0.261333 0.497208 Li\n0.704607 0.261367 0.997194 Li\n0.494079 0.002332 0.506459 Fe\n0.988443 0.502623 0.002556 Fe\n0.993900 0.002335 0.006386 Fe\n0.488418 0.502592 0.502519 Fe\n0.520086 0.170553 0.478857 O\n0.019653 0.170607 0.978751 O\n0.543847 0.670707 0.501090 O\n0.043932 0.670600 0.001083 O\n0.133342 0.459593 0.163577 O\n0.633304 0.459606 0.663502 O\n0.703392 0.433113 0.007165 O\n0.203487 0.433106 0.507165 O\n0.498523 0.725077 0.184460 O\n0.998482 0.725178 0.684410 O\n0.848810 0.930622 0.146935 O\n0.348833 0.930608 0.647009 O\n0.637096 0.452184 0.338406 O\n0.137008 0.452178 0.838466 O\n0.015329 0.226487 0.338486 O\n0.515124 0.226455 0.838512 O\n0.316080 0.954596 0.009704 O\n0.816141 0.954563 0.509731 O\n0.324235 0.956311 0.353673 O\n0.824157 0.956301 0.853587 O\n0.472964 0.222653 0.157890 F\n0.972979 0.222651 0.657897 F\n0.997601 0.722996 0.324986 F\n0.497526 0.722987 0.824930 F\n",
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{
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