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{
"id": "mp-764870",
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"structure_string": "Li12 Mn4 Fe4 Co4 P12 O48\n1.0\n10.470692 0.000000 0.014114\n0.000000 6.098325 0.000000\n0.019259 0.000000 14.317688\nLi Mn Fe Co P O\n12 4 4 4 12 48\ndirect\n0.998155 0.500431 0.666922 Li\n0.999910 0.000585 0.000032 Li\n0.999910 0.499415 0.000032 Li\n0.999341 0.001119 0.333341 Li\n0.999341 0.498881 0.333341 Li\n0.998155 0.999569 0.666922 Li\n0.500874 0.000102 0.500577 Li\n0.500874 0.499898 0.500577 Li\n0.501277 0.001537 0.166794 Li\n0.501277 0.498463 0.166794 Li\n0.500782 0.000442 0.833235 Li\n0.500782 0.499558 0.833235 Li\n0.218341 0.750000 0.159865 Mn\n0.218559 0.750000 0.493105 Mn\n0.281791 0.250000 0.659536 Mn\n0.719744 0.750000 0.007094 Mn\n0.217835 0.750000 0.825184 Fe\n0.280429 0.250000 0.992821 Fe\n0.281485 0.250000 0.325750 Fe\n0.720019 0.750000 0.341349 Fe\n0.720047 0.750000 0.673318 Co\n0.781146 0.250000 0.839209 Co\n0.779533 0.250000 0.507353 Co\n0.780317 0.250000 0.173158 Co\n0.093183 0.250000 0.807472 P\n0.093562 0.250000 0.138249 P\n0.092664 0.250000 0.471406 P\n0.407476 0.750000 0.306263 P\n0.407907 0.750000 0.639670 P\n0.404749 0.750000 0.971837 P\n0.595373 0.250000 0.360536 P\n0.594054 0.250000 0.028222 P\n0.597376 0.250000 0.694382 P\n0.905674 0.750000 0.859357 P\n0.904349 0.750000 0.194651 P\n0.903348 0.750000 0.527543 P\n0.040872 0.750000 0.237025 O\n0.040044 0.750000 0.569558 O\n0.042243 0.750000 0.901469 O\n0.095934 0.250000 0.578794 O\n0.096751 0.250000 0.914192 O\n0.097469 0.250000 0.245982 O\n0.163978 0.049287 0.093065 O\n0.163978 0.450713 0.093065 O\n0.163439 0.049082 0.426280 O\n0.163439 0.450918 0.426280 O\n0.163897 0.046918 0.763234 O\n0.163897 0.453082 0.763234 O\n0.337861 0.548552 0.594675 O\n0.337861 0.951448 0.594675 O\n0.336454 0.547189 0.263025 O\n0.336454 0.952811 0.263025 O\n0.333837 0.547134 0.928275 O\n0.333837 0.952866 0.928275 O\n0.405621 0.750000 0.413811 O\n0.404252 0.750000 0.079187 O\n0.402973 0.750000 0.746914 O\n0.457748 0.250000 0.402004 O\n0.456297 0.250000 0.067839 O\n0.460458 0.250000 0.736474 O\n0.544294 0.750000 0.263955 O\n0.541724 0.750000 0.929615 O\n0.546031 0.750000 0.599040 O\n0.597780 0.250000 0.253396 O\n0.598353 0.250000 0.920604 O\n0.597888 0.250000 0.586605 O\n0.664467 0.049132 0.073923 O\n0.666193 0.047581 0.405284 O\n0.668026 0.046737 0.738465 O\n0.668026 0.453263 0.738465 O\n0.664467 0.450868 0.073923 O\n0.666193 0.452419 0.405284 O\n0.835153 0.545804 0.903474 O\n0.835153 0.954196 0.903474 O\n0.833136 0.546033 0.238229 O\n0.832141 0.546862 0.571895 O\n0.833136 0.953967 0.238229 O\n0.832141 0.953138 0.571895 O\n0.903342 0.750000 0.751852 O\n0.902883 0.750000 0.420362 O\n0.904878 0.750000 0.087415 O\n0.956044 0.250000 0.764998 O\n0.954923 0.250000 0.098780 O\n0.954394 0.250000 0.431344 O\n",
"nsites": 84,
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"elements": [
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"Co",
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],
"chemical_system": "Co-Fe-Li-Mn-O-P",
"density": 3.45429100129272,
"density_atomic": 0.09188005122977583,
"volume": 914.2354501950679,
"volume_molar": 6.554350677210318,
"formula_full": "Li12 Mn4 Fe4 Co4 P12 O48",
"formula_reduced": "Li3MnFeCo(PO4)3",
"formula_anonymous": "ABCD3E3F12",
"energy": -579.49014576,
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"updated_at": "2021-11-28T01:37:32.863000Z",
"spacegroup": 6
},
{
"id": "mp-1177652",
"created_at": "2022-09-04T14:42:53.105010Z",
"structure_string": "Li6 Fe10 P12 O48\n1.0\n6.372424 0.000000 -0.054622\n-3.186211 15.538106 0.027311\n-0.133229 0.000000 10.922760\nLi Fe P O\n6 10 12 48\ndirect\n0.207909 0.727693 0.434275 Li\n0.030031 0.060062 0.250000 Li\n0.519783 0.727693 0.065725 Li\n0.480217 0.272307 0.934275 Li\n0.969969 0.939938 0.750000 Li\n0.792091 0.272307 0.565725 Li\n0.196428 0.899080 0.076916 Fe\n0.000000 0.500000 0.000000 Fe\n0.191721 0.383443 0.750000 Fe\n0.186305 0.372610 0.250000 Fe\n0.297348 0.100920 0.576916 Fe\n0.500000 0.500000 0.500000 Fe\n0.702652 0.899080 0.423084 Fe\n0.813695 0.627390 0.750000 Fe\n0.808279 0.616557 0.250000 Fe\n0.803572 0.100920 0.923084 Fe\n0.213592 0.944062 0.370597 P\n0.004934 0.296601 0.996143 P\n0.281470 0.562940 0.750000 P\n0.279419 0.558837 0.250000 P\n0.291667 0.296601 0.503857 P\n0.269529 0.055938 0.870597 P\n0.730471 0.944062 0.129403 P\n0.708333 0.703399 0.496143 P\n0.720581 0.441163 0.750000 P\n0.718530 0.437060 0.250000 P\n0.995066 0.703399 0.003857 P\n0.786408 0.055938 0.629403 P\n0.005366 0.886814 0.416776 O\n0.204197 0.965391 0.230482 O\n0.211074 0.963902 0.926650 O\n0.185202 0.779801 0.031442 O\n0.100797 0.623964 0.003188 O\n0.116749 0.618782 0.723425 O\n0.123201 0.618936 0.275785 O\n0.391744 0.894825 0.401349 O\n0.213810 0.495442 0.857918 O\n0.210646 0.492618 0.141841 O\n0.118503 0.285285 0.119427 O\n0.175324 0.304009 0.894067 O\n0.128685 0.304009 0.605933 O\n0.166782 0.285285 0.380573 O\n0.281632 0.495442 0.642082 O\n0.281971 0.492618 0.358159 O\n0.503081 0.894825 0.098651 O\n0.118553 0.113186 0.916776 O\n0.502033 0.618782 0.776575 O\n0.495735 0.618936 0.224215 O\n0.523167 0.623964 0.496812 O\n0.238807 0.034609 0.730482 O\n0.594599 0.779801 0.468558 O\n0.247172 0.036099 0.426650 O\n0.752828 0.963902 0.573350 O\n0.405401 0.220199 0.531442 O\n0.761193 0.965391 0.269518 O\n0.476833 0.376036 0.503188 O\n0.504266 0.381064 0.775785 O\n0.497967 0.381218 0.223425 O\n0.881447 0.886814 0.083224 O\n0.496919 0.105175 0.901349 O\n0.718029 0.507382 0.641841 O\n0.718368 0.504558 0.357918 O\n0.833218 0.714715 0.619427 O\n0.871315 0.695991 0.394067 O\n0.824676 0.695991 0.105933 O\n0.881497 0.714715 0.880573 O\n0.789354 0.507382 0.858159 O\n0.786190 0.504558 0.142082 O\n0.608256 0.105175 0.598651 O\n0.876799 0.381064 0.724215 O\n0.883251 0.381218 0.276575 O\n0.899203 0.376036 0.996812 O\n0.814798 0.220199 0.968558 O\n0.788926 0.036099 0.073350 O\n0.795803 0.034609 0.769518 O\n0.994634 0.113186 0.583224 O\n",
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"elements": [
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],
"chemical_system": "Fe-Li-O-P",
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"density_atomic": 0.07027872355877716,
"volume": 1081.4083715740494,
"volume_molar": 8.56893872718593,
"formula_full": "Li6 Fe10 P12 O48",
"formula_reduced": "Li3Fe5(PO4)6",
"formula_anonymous": "A3B5C6D24",
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"updated_at": "2021-11-28T01:35:54.370000Z",
"spacegroup": 15
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{
"id": "mp-531715",
"created_at": "2022-09-04T14:45:08.892353Z",
"structure_string": "Fe20 Bi12 O48\n1.0\n-6.317166 6.317166 6.317166\n6.317166 -6.317166 6.317166\n6.317166 6.317166 -6.317166\nFe Bi O\n20 12 48\ndirect\n0.750000 0.375000 0.625000 Fe\n0.875000 0.125000 0.750000 Fe\n0.000000 0.500000 0.500000 Fe\n0.875000 0.250000 0.125000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.250000 0.625000 0.375000 Fe\n0.000000 0.000000 0.000000 Fe\n0.375000 0.250000 0.625000 Fe\n0.125000 0.875000 0.250000 Fe\n0.500000 0.500000 0.500000 Fe\n0.625000 0.750000 0.375000 Fe\n0.375000 0.625000 0.750000 Fe\n0.125000 0.750000 0.875000 Fe\n0.250000 0.125000 0.875000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.625000 0.375000 0.250000 Fe\n0.500000 0.000000 0.000000 Fe\n0.750000 0.875000 0.125000 Fe\n0.125000 0.375000 0.750000 Bi\n0.250000 0.875000 0.625000 Bi\n0.125000 0.250000 0.375000 Bi\n0.375000 0.750000 0.125000 Bi\n0.625000 0.875000 0.750000 Bi\n0.250000 0.375000 0.125000 Bi\n0.625000 0.250000 0.875000 Bi\n0.750000 0.625000 0.875000 Bi\n0.375000 0.125000 0.250000 Bi\n0.875000 0.750000 0.625000 Bi\n0.750000 0.125000 0.375000 Bi\n0.875000 0.625000 0.250000 Bi\n0.405276 0.078289 0.886692 O\n0.421711 0.094724 0.613308 O\n0.421711 0.826987 0.808403 O\n0.905276 0.386692 0.578289 O\n0.405276 0.826987 0.518584 O\n0.673013 0.094724 0.981416 O\n0.921711 0.113308 0.594724 O\n0.921711 0.308403 0.326987 O\n0.518584 0.613308 0.691597 O\n0.673013 0.078289 0.691597 O\n0.905276 0.018584 0.326987 O\n0.518584 0.405276 0.826987 O\n0.691597 0.673013 0.078289 O\n0.613308 0.421711 0.094724 O\n0.173013 0.481416 0.594724 O\n0.808403 0.886692 0.981416 O\n0.613308 0.691597 0.518584 O\n0.018584 0.191597 0.113308 O\n0.173013 0.191597 0.578289 O\n0.886692 0.981416 0.808403 O\n0.191597 0.578289 0.173013 O\n0.113308 0.594724 0.921711 O\n0.018584 0.326987 0.905276 O\n0.691597 0.518584 0.613308 O\n0.308403 0.481416 0.386692 O\n0.981416 0.673013 0.094724 O\n0.886692 0.405276 0.078289 O\n0.808403 0.421711 0.826987 O\n0.113308 0.018584 0.191597 O\n0.826987 0.808403 0.421711 O\n0.981416 0.808403 0.886692 O\n0.386692 0.308403 0.481416 O\n0.191597 0.113308 0.018584 O\n0.826987 0.518584 0.405276 O\n0.386692 0.578289 0.905276 O\n0.308403 0.326987 0.921711 O\n0.481416 0.594724 0.173013 O\n0.094724 0.981416 0.673013 O\n0.326987 0.921711 0.308403 O\n0.481416 0.386692 0.308403 O\n0.078289 0.691597 0.673013 O\n0.078289 0.886692 0.405276 O\n0.326987 0.905276 0.018584 O\n0.594724 0.173013 0.481416 O\n0.094724 0.613308 0.421711 O\n0.578289 0.173013 0.191597 O\n0.578289 0.905276 0.386692 O\n0.594724 0.921711 0.113308 O\n",
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{
"id": "mp-1173809",
"created_at": "2022-09-04T14:41:50.688337Z",
"structure_string": "Na5 Mg4 Fe8 P12 O48\n1.0\n10.607266 -0.599132 7.346088\n4.359220 8.054135 1.553902\n-1.390484 -0.211691 9.181952\nNa Mg Fe P O\n5 4 8 12 48\ndirect\n0.998468 0.500476 0.501327 Na\n0.248268 0.501017 0.502078 Na\n0.375000 0.006441 0.993559 Na\n0.501732 0.497922 0.498983 Na\n0.751532 0.498673 0.499524 Na\n0.123405 0.261608 0.738244 Mg\n0.375000 0.733876 0.266124 Mg\n0.626595 0.261756 0.738392 Mg\n0.875000 0.738116 0.261884 Mg\n0.094992 0.061320 0.367419 Fe\n0.346211 0.375019 0.062583 Fe\n0.151814 0.633954 0.939362 Fe\n0.598186 0.060638 0.366046 Fe\n0.403789 0.937417 0.624981 Fe\n0.846644 0.366199 0.060874 Fe\n0.655008 0.632581 0.938680 Fe\n0.903356 0.939126 0.633801 Fe\n0.073681 0.350479 0.127344 P\n0.124462 0.711823 0.289946 P\n0.322724 0.128098 0.347584 P\n0.178527 0.868881 0.649797 P\n0.375000 0.287888 0.712112 P\n0.571473 0.350203 0.131119 P\n0.427276 0.652416 0.871902 P\n0.625538 0.710054 0.288177 P\n0.819937 0.131015 0.352348 P\n0.676319 0.872656 0.649521 P\n0.875000 0.289939 0.710061 P\n0.930063 0.647652 0.868985 P\n0.031127 0.330971 0.998535 O\n0.133593 0.183972 0.177349 O\n0.184598 0.405506 0.041706 O\n0.056692 0.738385 0.179536 O\n0.288144 0.994826 0.319643 O\n0.209527 0.267070 0.482633 O\n0.024151 0.738632 0.468854 O\n0.371987 0.187581 0.180822 O\n0.225362 0.531093 0.261929 O\n0.044353 0.512313 0.729662 O\n0.194050 0.819005 0.260299 O\n0.434740 0.045214 0.399792 O\n0.065326 0.952916 0.602678 O\n0.307988 0.175207 0.742305 O\n0.529808 0.332782 0.999756 O\n0.457934 0.484654 0.270559 O\n0.274358 0.466760 0.740131 O\n0.131235 0.809779 0.815066 O\n0.618765 0.184934 0.190221 O\n0.475642 0.259869 0.533240 O\n0.292066 0.729441 0.515346 O\n0.220192 0.000244 0.667218 O\n0.442012 0.257695 0.824793 O\n0.684674 0.397322 0.047084 O\n0.315260 0.600208 0.954786 O\n0.555950 0.739701 0.180995 O\n0.778970 0.000586 0.330064 O\n0.705647 0.270338 0.487687 O\n0.524638 0.738071 0.468907 O\n0.378013 0.819178 0.812419 O\n0.871074 0.191008 0.188969 O\n0.725849 0.531146 0.261368 O\n0.540473 0.517367 0.732930 O\n0.461856 0.680357 0.005174 O\n0.693308 0.820464 0.261615 O\n0.930814 0.043510 0.403613 O\n0.565402 0.958294 0.594494 O\n0.807251 0.178879 0.738573 O\n0.960522 0.483125 0.269203 O\n0.773762 0.468316 0.738552 O\n0.616407 0.822651 0.816028 O\n0.976238 0.261448 0.531684 O\n0.789478 0.730797 0.516875 O\n0.718873 0.001465 0.669029 O\n0.942749 0.261427 0.821121 O\n0.819186 0.596387 0.956490 O\n0.878926 0.811031 0.808992 O\n0.971030 0.669936 0.999414 O\n",
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"formula_full": "Na5 Mg4 Fe8 P12 O48",
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{
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