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"formula_full": "Li28 La12 Tb8 O48",
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{
"id": "oqmd-1361266",
"created_at": "2022-09-04T15:46:51.657394Z",
"updated_at": "2022-09-04T15:46:51.657411Z",
"structure_string": "Ba8 Mg12 Mn28 O48\n1.0\n-6.662154 6.662154 7.415688\n6.662154 -6.662154 7.415688\n6.662154 6.662154 -7.415688\nBa Mg Mn O\n8 12 28 48\ndirect\n0.375000 0.125000 0.250000 Ba\n0.875000 0.125000 0.250000 Ba\n0.375000 0.625000 0.250000 Ba\n0.875000 0.625000 0.250000 Ba\n0.375000 0.125000 0.750000 Ba\n0.875000 0.125000 0.750000 Ba\n0.375000 0.625000 0.750000 Ba\n0.875000 0.625000 0.750000 Ba\n0.250000 0.250000 0.000000 Mg\n0.750000 0.750000 0.000000 Mg\n0.625000 0.222390 0.097390 Mg\n0.972390 0.375000 0.097390 Mg\n0.125000 0.027610 0.402610 Mg\n0.777610 0.875000 0.402610 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.472390 0.375000 0.597390 Mg\n0.625000 0.722390 0.597390 Mg\n0.125000 0.527610 0.902610 Mg\n0.277610 0.875000 0.902610 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.940838 0.559162 0.000000 Mn\n0.559162 0.940838 0.000000 Mn\n0.508917 0.739870 0.100880 Mn\n0.091963 0.861010 0.100880 Mn\n0.309162 0.809162 0.118325 Mn\n0.138990 0.239870 0.230952 Mn\n0.591963 0.491083 0.230952 Mn\n0.611010 0.010130 0.269048 Mn\n0.158037 0.758917 0.269048 Mn\n0.440838 0.440838 0.381675 Mn\n0.658037 0.388990 0.399120 Mn\n0.241083 0.510130 0.399120 Mn\n0.750000 0.250000 0.500000 Mn\n0.190838 0.309162 0.500000 Mn\n0.809162 0.690838 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.989870 0.258917 0.600880 Mn\n0.111010 0.841963 0.600880 Mn\n0.059162 0.059162 0.618325 Mn\n0.741083 0.341963 0.730952 Mn\n0.489870 0.888990 0.730952 Mn\n0.260130 0.361010 0.769048 Mn\n0.008917 0.908037 0.769048 Mn\n0.690838 0.190838 0.881675 Mn\n0.638990 0.408037 0.899120 Mn\n0.760130 0.991083 0.899120 Mn\n0.542124 0.350039 0.021678 O\n0.979554 0.171639 0.021678 O\n0.753265 0.151610 0.045273 O\n0.792008 0.393663 0.045273 O\n0.457992 0.003265 0.101655 O\n0.143663 0.598390 0.101655 O\n0.957833 0.752280 0.135113 O\n0.677280 0.882833 0.135113 O\n0.042124 0.020446 0.192086 O\n0.649961 0.671639 0.192086 O\n0.457833 0.322720 0.205553 O\n0.247720 0.382833 0.205553 O\n0.502280 0.867167 0.294447 O\n0.292167 0.927280 0.294447 O\n0.707876 0.229554 0.307914 O\n0.100039 0.578361 0.307914 O\n0.072720 0.367167 0.364887 O\n0.792167 0.497720 0.364887 O\n0.292008 0.246735 0.398345 O\n0.606337 0.651610 0.398345 O\n0.996735 0.098390 0.454727 O\n0.957992 0.856337 0.454727 O\n0.770446 0.078361 0.478322 O\n0.207876 0.899961 0.478322 O\n0.600039 0.292124 0.521678 O\n0.421639 0.729554 0.521678 O\n0.401610 0.503265 0.545273 O\n0.643663 0.542008 0.545273 O\n0.253265 0.207992 0.601655 O\n0.848390 0.893663 0.601655 O\n0.132833 0.427280 0.635113 O\n0.002280 0.707833 0.635113 O\n0.921639 0.399961 0.692086 O\n0.270446 0.792124 0.692086 O\n0.572720 0.207833 0.705553 O\n0.632833 0.997720 0.705553 O\n0.177280 0.042167 0.794447 O\n0.117167 0.252280 0.794447 O\n0.479554 0.457876 0.807914 O\n0.828361 0.850039 0.807914 O\n0.747720 0.542167 0.864887 O\n0.617167 0.822720 0.864887 O\n0.496735 0.042008 0.898345 O\n0.901610 0.356337 0.898345 O\n0.106337 0.707992 0.954727 O\n0.348390 0.746735 0.954727 O\n0.328361 0.520446 0.978322 O\n0.149961 0.957876 0.978322 O\n",
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{
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"structure_string": "Li28 La12 Mn8 O48\n1.0\n10.703181 0.000000 0.000000\n-3.928662 9.956088 0.000000\n-3.387260 -4.978044 8.848934\nLa Li Mn O\n12 28 8 48\ndirect\n0.250000 0.377266 0.127266 La\n0.377265 0.750000 0.127266 La\n0.375000 0.125000 0.250000 La\n0.875000 0.625000 0.250000 La\n0.750000 0.122735 0.372734 La\n0.122735 0.250000 0.372735 La\n0.877265 0.750000 0.627266 La\n0.250000 0.877266 0.627266 La\n0.125001 0.375000 0.750000 La\n0.625000 0.875000 0.750000 La\n0.622735 0.250000 0.872735 La\n0.750000 0.622735 0.872735 La\n0.115905 0.783606 0.011461 Li\n0.395556 0.227855 0.011462 Li\n0.807907 0.057908 0.115815 Li\n0.772145 0.283606 0.167700 Li\n0.895557 0.884095 0.167700 Li\n0.057907 0.442092 0.250000 Li\n0.692093 0.807907 0.250000 Li\n0.124999 0.875000 0.250000 Li\n0.625000 0.375000 0.250000 Li\n0.615905 0.604444 0.332299 Li\n0.216394 0.727855 0.332299 Li\n0.442092 0.692092 0.384185 Li\n0.716394 0.384094 0.488538 Li\n0.272144 0.104444 0.488539 Li\n0.727854 0.895556 0.511460 Li\n0.283606 0.615905 0.511461 Li\n0.557907 0.307907 0.615814 Li\n0.783606 0.272144 0.667700 Li\n0.384095 0.395556 0.667700 Li\n0.874999 0.125000 0.750000 Li\n0.307908 0.192092 0.750000 Li\n0.942092 0.557907 0.750000 Li\n0.375000 0.625000 0.750000 Li\n0.227855 0.716394 0.832298 Li\n0.104444 0.115905 0.832299 Li\n0.192092 0.942093 0.884186 Li\n0.884095 0.216395 0.988539 Li\n0.604444 0.772145 0.988539 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500001 Mn\n0.500001 0.500001 0.500001 Mn\n0.208727 0.118737 0.021248 O\n0.312521 0.902512 0.021248 O\n0.708726 0.687478 0.089990 O\n0.881264 0.402512 0.089991 O\n0.981108 0.683208 0.092570 O\n0.611463 0.409362 0.092571 O\n0.597914 0.918915 0.122271 O\n0.024358 0.203357 0.122272 O\n0.203356 0.581085 0.178999 O\n0.475644 0.597915 0.178999 O\n0.590638 0.183209 0.202100 O\n0.111463 0.018892 0.202101 O\n0.481108 0.388538 0.297899 O\n0.316791 0.909362 0.297899 O\n0.918916 0.296645 0.321001 O\n0.902086 0.024357 0.321002 O\n0.296645 0.475644 0.377729 O\n0.581084 0.902086 0.377729 O\n0.816792 0.518892 0.407430 O\n0.090639 0.888539 0.407431 O\n0.812522 0.791273 0.410010 O\n0.097489 0.618737 0.410011 O\n0.597488 0.187479 0.478751 O\n0.381264 0.291273 0.478752 O\n0.618736 0.708726 0.521249 O\n0.402512 0.812522 0.521249 O\n0.902512 0.381264 0.589990 O\n0.187479 0.208727 0.589991 O\n0.909362 0.111462 0.592571 O\n0.183209 0.481108 0.592571 O\n0.703355 0.524357 0.622270 O\n0.418915 0.097914 0.622272 O\n0.081085 0.703356 0.678998 O\n0.097915 0.975644 0.678999 O\n0.518891 0.611461 0.702099 O\n0.683208 0.090638 0.702100 O\n0.409361 0.816791 0.797900 O\n0.888538 0.981108 0.797900 O\n0.524358 0.402087 0.821002 O\n0.796646 0.418916 0.821002 O\n0.402086 0.081084 0.877730 O\n0.975644 0.796645 0.877730 O\n0.018891 0.316792 0.907430 O\n0.388538 0.590638 0.907430 O\n0.291273 0.312522 0.910010 O\n0.118737 0.597488 0.910010 O\n0.791273 0.881263 0.978750 O\n0.687478 0.097488 0.978751 O\n",
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{
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"structure_string": "Be48 Bi8 Sb28 As12\n1.0\n-8.579900 8.579900 6.667663\n8.579900 -8.579900 6.667663\n8.579900 8.579900 -6.667663\nAs Be Bi Sb\n12 48 8 28\ndirect\n0.250000 0.250000 0.000000 As\n0.750000 0.750000 0.000000 As\n0.125000 0.720348 0.095348 As\n0.470348 0.875000 0.095348 As\n0.279652 0.375000 0.404652 As\n0.625000 0.529652 0.404652 As\n0.500000 0.000000 0.500000 As\n0.000000 0.500000 0.500000 As\n0.125000 0.220348 0.595348 As\n0.970348 0.875000 0.595348 As\n0.625000 0.029652 0.904652 As\n0.779652 0.375000 0.904652 As\n0.308185 0.880817 0.041657 Be\n0.233472 0.660840 0.041657 Be\n0.413221 0.680446 0.062315 Be\n0.149094 0.881869 0.062315 Be\n0.630817 0.089160 0.072632 Be\n0.941815 0.483472 0.072632 Be\n0.384243 0.220096 0.097546 Be\n0.213303 0.377450 0.097546 Be\n0.884243 0.786697 0.164146 Be\n0.779904 0.877450 0.164146 Be\n0.631869 0.069554 0.232775 Be\n0.100906 0.663221 0.232775 Be\n0.118131 0.180446 0.267225 Be\n0.649094 0.586779 0.267225 Be\n0.970096 0.372550 0.335854 Be\n0.865757 0.463303 0.335854 Be\n0.365757 0.029904 0.402454 Be\n0.536697 0.872550 0.402454 Be\n0.119183 0.160840 0.427368 Be\n0.808185 0.766528 0.427368 Be\n0.336779 0.569554 0.437685 Be\n0.600906 0.368131 0.437685 Be\n0.441815 0.369183 0.458343 Be\n0.516528 0.589160 0.458343 Be\n0.130817 0.058185 0.541657 Be\n0.910840 0.983472 0.541657 Be\n0.930446 0.163221 0.562315 Be\n0.131869 0.899094 0.562315 Be\n0.339160 0.380817 0.572632 Be\n0.733472 0.691815 0.572632 Be\n0.470096 0.134243 0.597546 Be\n0.627450 0.963303 0.597546 Be\n0.127450 0.529904 0.664146 Be\n0.036697 0.634243 0.664146 Be\n0.319554 0.381869 0.732775 Be\n0.913221 0.850906 0.732775 Be\n0.836779 0.399094 0.767225 Be\n0.430446 0.868131 0.767225 Be\n0.713303 0.615757 0.835854 Be\n0.622550 0.720096 0.835854 Be\n0.279904 0.115757 0.902454 Be\n0.122550 0.286697 0.902454 Be\n0.016528 0.558185 0.927368 Be\n0.410840 0.869183 0.927368 Be\n0.819554 0.086779 0.937685 Be\n0.618131 0.350906 0.937685 Be\n0.619183 0.191815 0.958343 Be\n0.839160 0.266528 0.958343 Be\n0.375000 0.125000 0.250000 Bi\n0.875000 0.125000 0.250000 Bi\n0.375000 0.625000 0.250000 Bi\n0.875000 0.625000 0.250000 Bi\n0.375000 0.125000 0.750000 Bi\n0.875000 0.125000 0.750000 Bi\n0.375000 0.625000 0.750000 Bi\n0.875000 0.625000 0.750000 Bi\n0.000000 0.000000 0.000000 Sb\n0.424745 0.075255 0.000000 Sb\n0.075255 0.424745 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.024106 0.223842 0.116375 Sb\n0.592270 0.392534 0.116375 Sb\n0.825255 0.325255 0.150510 Sb\n0.607466 0.723842 0.199736 Sb\n0.092270 0.975894 0.199736 Sb\n0.657730 0.274106 0.300264 Sb\n0.142534 0.526158 0.300264 Sb\n0.924745 0.924745 0.349490 Sb\n0.725894 0.026158 0.383625 Sb\n0.157730 0.857466 0.383625 Sb\n0.325255 0.174745 0.500000 Sb\n0.750000 0.250000 0.500000 Sb\n0.250000 0.750000 0.500000 Sb\n0.674745 0.825255 0.500000 Sb\n0.642534 0.342270 0.616375 Sb\n0.473842 0.774106 0.616375 Sb\n0.575255 0.575255 0.650510 Sb\n0.973842 0.357466 0.699736 Sb\n0.225894 0.842270 0.699736 Sb\n0.524106 0.407730 0.800264 Sb\n0.776158 0.892534 0.800264 Sb\n0.174745 0.674745 0.849490 Sb\n0.276158 0.475894 0.883625 Sb\n0.107466 0.907730 0.883625 Sb\n",
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{
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