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{
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{
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{
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"structure_string": "Ca1 Sc4 Fe4 O12\n1.0\n5.169348 -0.113639 -0.146181\n-0.113402 5.454709 0.147891\n-0.192521 0.210963 8.994987\nCa Sc Fe O\n1 4 4 12\ndirect\n0.383987 0.175156 0.089644 Ca\n0.000479 0.929111 0.698981 Sc\n0.437301 0.400518 0.747817 Sc\n0.568264 0.618956 0.273252 Sc\n0.927785 0.105808 0.283252 Sc\n0.965297 0.597068 0.011678 Fe\n0.055742 0.522488 0.465978 Fe\n0.530532 0.846276 0.877871 Fe\n0.484037 0.027905 0.501261 Fe\n0.207839 0.434413 0.282607 O\n0.197639 0.224045 0.573235 O\n0.221271 0.058690 0.867189 O\n0.286389 0.709824 0.606400 O\n0.319127 0.539571 0.942897 O\n0.310008 0.939300 0.308275 O\n0.658096 0.099898 0.706599 O\n0.749054 0.371842 0.140278 O\n0.721318 0.324287 0.424710 O\n0.745839 0.871936 0.117041 O\n0.801301 0.818537 0.439170 O\n0.791194 0.621871 0.791867 O\n",
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{
"id": "mp-1232300",
"created_at": "2022-09-04T14:46:55.945906Z",
"structure_string": "Mg8 V4 P12 O44\n1.0\n7.176231 0.000000 0.000000\n0.000000 6.327671 0.000000\n0.000000 2.827933 18.291524\nMg V P O\n8 4 12 44\ndirect\n0.096218 0.394214 0.575976 Mg\n0.596218 0.605786 0.924024 Mg\n0.903782 0.605786 0.424024 Mg\n0.403782 0.394214 0.075976 Mg\n0.456500 0.348487 0.727756 Mg\n0.956500 0.651513 0.772244 Mg\n0.543500 0.651513 0.272244 Mg\n0.043500 0.348487 0.227756 Mg\n0.660853 0.061179 0.624834 V\n0.160853 0.938821 0.875166 V\n0.339147 0.938821 0.375166 V\n0.839147 0.061179 0.124834 V\n0.684205 0.592471 0.587883 P\n0.184205 0.407529 0.912117 P\n0.315795 0.407529 0.412117 P\n0.815795 0.592471 0.087883 P\n0.331196 0.822920 0.553955 P\n0.831196 0.177080 0.946045 P\n0.668804 0.177080 0.446045 P\n0.168804 0.822920 0.053955 P\n0.531564 0.810819 0.783525 P\n0.031564 0.189181 0.716475 P\n0.468436 0.189181 0.216475 P\n0.968436 0.810819 0.283525 P\n0.400645 0.000580 0.595223 O\n0.900645 0.999420 0.904777 O\n0.599355 0.999420 0.404777 O\n0.099355 0.000580 0.095223 O\n0.739796 0.745273 0.640898 O\n0.239796 0.254727 0.859102 O\n0.260204 0.254727 0.359102 O\n0.760204 0.745273 0.140898 O\n0.201214 0.666187 0.597924 O\n0.701214 0.333813 0.902076 O\n0.798786 0.333813 0.402076 O\n0.298786 0.666187 0.097924 O\n0.604633 0.383572 0.631552 O\n0.104633 0.616428 0.868448 O\n0.395367 0.616428 0.368448 O\n0.895367 0.383572 0.131552 O\n0.842376 0.549379 0.535860 O\n0.342376 0.450621 0.964140 O\n0.157624 0.450621 0.464140 O\n0.657624 0.549379 0.035860 O\n0.746482 0.089656 0.521441 O\n0.246482 0.910344 0.978559 O\n0.253518 0.910344 0.478559 O\n0.753518 0.089656 0.021441 O\n0.520379 0.693343 0.535565 O\n0.020379 0.306657 0.964435 O\n0.479621 0.306657 0.464435 O\n0.979621 0.693343 0.035565 O\n0.560675 0.031565 0.732778 O\n0.060675 0.968435 0.767222 O\n0.439325 0.968435 0.267222 O\n0.939325 0.031565 0.232778 O\n0.426777 0.645499 0.746970 O\n0.926777 0.354501 0.753030 O\n0.573223 0.354501 0.253030 O\n0.073223 0.645499 0.246970 O\n0.929534 0.147483 0.644872 O\n0.429534 0.852517 0.855128 O\n0.070466 0.852517 0.355128 O\n0.570466 0.147483 0.144872 O\n0.718635 0.718158 0.815143 O\n0.218635 0.281842 0.684857 O\n0.281365 0.281842 0.184857 O\n0.781365 0.718158 0.315143 O\n",
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"spacegroup": 14
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{
"id": "mp-1176965",
"created_at": "2022-09-04T14:46:55.947397Z",
"structure_string": "Li12 Mn2 V6 P12 O48\n1.0\n8.865955 0.000000 0.000000\n0.000000 8.574054 0.000000\n0.000000 0.518040 12.333816\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.000453 0.999799 0.000952 Li\n0.102259 0.999603 0.248729 Li\n0.999547 0.999799 0.500952 Li\n0.897741 0.999603 0.748729 Li\n0.804333 0.292121 0.049371 Li\n0.195667 0.292121 0.549371 Li\n0.504553 0.507030 0.998295 Li\n0.403199 0.504734 0.253549 Li\n0.495447 0.507030 0.498295 Li\n0.596801 0.504734 0.753549 Li\n0.801595 0.713497 0.446200 Li\n0.198405 0.713497 0.946200 Li\n0.499865 0.791009 0.353506 Mn\n0.500135 0.791009 0.853506 Mn\n0.500438 0.212695 0.144108 V\n0.499562 0.212695 0.644108 V\n0.995564 0.285892 0.358034 V\n0.004436 0.285892 0.858034 V\n0.998433 0.716774 0.141892 V\n0.001567 0.716774 0.641892 V\n0.802024 0.000529 0.249352 P\n0.197976 0.000529 0.749352 P\n0.354584 0.155778 0.395459 P\n0.645416 0.155778 0.895459 P\n0.148394 0.351782 0.103344 P\n0.851606 0.351782 0.603344 P\n0.707766 0.500046 0.249359 P\n0.292234 0.500046 0.749359 P\n0.144967 0.645479 0.397632 P\n0.855033 0.645479 0.897632 P\n0.355526 0.842880 0.104710 P\n0.644474 0.842880 0.604710 P\n0.413458 0.010144 0.107513 O\n0.586542 0.010144 0.607513 O\n0.912631 0.073855 0.333635 O\n0.087369 0.073855 0.833635 O\n0.703741 0.125126 0.189619 O\n0.296259 0.125126 0.689619 O\n0.177072 0.150546 0.409459 O\n0.822928 0.150546 0.909459 O\n0.404294 0.248804 0.291753 O\n0.064428 0.253339 0.018044 O\n0.408371 0.252525 0.492628 O\n0.595706 0.248804 0.791753 O\n0.935572 0.253339 0.518044 O\n0.096042 0.276930 0.213535 O\n0.591629 0.252525 0.992628 O\n0.903958 0.276930 0.713535 O\n0.322537 0.345020 0.089917 O\n0.677463 0.345020 0.589917 O\n0.806583 0.377699 0.310921 O\n0.193417 0.377699 0.810921 O\n0.600961 0.428208 0.164128 O\n0.399039 0.428208 0.664128 O\n0.093728 0.471751 0.408901 O\n0.906272 0.471751 0.908901 O\n0.108465 0.526548 0.092027 O\n0.891535 0.526548 0.592027 O\n0.605418 0.570169 0.337680 O\n0.394582 0.570169 0.837680 O\n0.807249 0.617098 0.186479 O\n0.192751 0.617098 0.686479 O\n0.316764 0.638079 0.411758 O\n0.683236 0.638079 0.911758 O\n0.095537 0.723341 0.287509 O\n0.409259 0.746620 0.007929 O\n0.904463 0.723341 0.787509 O\n0.060024 0.744687 0.481970 O\n0.401668 0.746435 0.207810 O\n0.590741 0.746620 0.507929 O\n0.939976 0.744687 0.981970 O\n0.598332 0.746435 0.707810 O\n0.179111 0.856471 0.090611 O\n0.820889 0.856471 0.590611 O\n0.717500 0.872695 0.312916 O\n0.282500 0.872695 0.812916 O\n0.912261 0.936709 0.161821 O\n0.087739 0.936709 0.661821 O\n0.406698 0.987556 0.396945 O\n0.593302 0.987556 0.896945 O\n",
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"formula_full": "Li12 Mn2 V6 P12 O48",
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{
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{
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"structure_string": "Cs2 Li1 Bi1 Br6\n1.0\n0.000000 5.672836 5.672836\n5.672836 0.000000 5.672836\n5.672836 5.672836 0.000000\nCs Li Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.746353 0.253647 0.253647 Br\n0.253647 0.253647 0.746353 Br\n0.253647 0.746353 0.746353 Br\n0.253647 0.746353 0.253647 Br\n0.746353 0.253647 0.746353 Br\n0.746353 0.746353 0.253647 Br\n",
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{
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"structure_string": "Ba1 Y1 Cu1 Sn1 O5\n1.0\n3.987446 0.000000 0.000000\n0.000000 3.987446 0.000000\n0.000000 0.000000 8.491547\nBa Y Cu Sn O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.033726 Ba\n0.000000 0.000000 0.442620 Y\n0.500000 0.500000 0.277196 Cu\n0.500000 0.500000 0.699467 Sn\n0.000000 0.500000 0.619644 O\n0.500000 0.000000 0.619644 O\n0.000000 0.500000 0.280124 O\n0.500000 0.000000 0.280124 O\n0.500000 0.500000 0.935372 O\n",
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