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{
"id": "mp-1176526",
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"structure_string": "Mn4 Fe4 Co4 P12 O48\n1.0\n5.988214 0.000000 0.000000\n0.000000 9.886042 0.000000\n0.000000 0.074419 14.611833\nMn Fe Co P O\n4 4 4 12 48\ndirect\n0.000000 0.212188 0.478185 Mn\n0.000000 0.216144 0.811701 Mn\n0.000000 0.217260 0.145786 Mn\n0.500000 0.286320 0.311571 Mn\n0.500000 0.276811 0.653541 Fe\n0.500000 0.279235 0.986440 Fe\n0.000000 0.723193 0.347789 Fe\n0.000000 0.728578 0.009870 Fe\n0.000000 0.726015 0.677077 Co\n0.500000 0.778641 0.183983 Co\n0.500000 0.776904 0.513644 Co\n0.500000 0.769728 0.841152 Co\n0.500000 0.097605 0.472033 P\n0.500000 0.094842 0.805854 P\n0.500000 0.097941 0.138623 P\n0.000000 0.399824 0.305371 P\n0.000000 0.400319 0.639348 P\n0.000000 0.399963 0.971754 P\n0.500000 0.604402 0.030460 P\n0.500000 0.598787 0.362767 P\n0.500000 0.599455 0.695627 P\n0.000000 0.900371 0.529489 P\n0.000000 0.899934 0.860274 P\n0.000000 0.903066 0.193343 P\n0.000000 0.054158 0.218063 O\n0.000000 0.052669 0.551904 O\n0.000000 0.052817 0.880486 O\n0.500000 0.121116 0.242461 O\n0.500000 0.119340 0.575066 O\n0.500000 0.120007 0.908397 O\n0.298632 0.167886 0.422924 O\n0.701368 0.167886 0.422924 O\n0.301472 0.172906 0.088913 O\n0.698528 0.172906 0.088913 O\n0.301526 0.168655 0.754994 O\n0.698474 0.168655 0.754994 O\n0.796131 0.330596 0.592878 O\n0.203869 0.330596 0.592878 O\n0.796457 0.328160 0.925711 O\n0.203543 0.328160 0.925711 O\n0.799118 0.328434 0.256793 O\n0.200882 0.328434 0.256793 O\n0.000000 0.379849 0.077172 O\n0.000000 0.380196 0.744466 O\n0.000000 0.377057 0.409686 O\n0.500000 0.452437 0.049615 O\n0.500000 0.448150 0.717787 O\n0.500000 0.446158 0.385324 O\n0.000000 0.552318 0.953010 O\n0.000000 0.551834 0.285809 O\n0.000000 0.554865 0.621502 O\n0.500000 0.622276 0.590803 O\n0.500000 0.627979 0.925787 O\n0.500000 0.618077 0.258470 O\n0.298243 0.676884 0.078003 O\n0.701757 0.676884 0.078003 O\n0.297410 0.670962 0.410648 O\n0.702590 0.670962 0.410648 O\n0.299187 0.672045 0.744287 O\n0.700813 0.672045 0.744287 O\n0.798750 0.828354 0.578397 O\n0.201250 0.828354 0.578397 O\n0.798772 0.828019 0.242383 O\n0.201228 0.828019 0.242383 O\n0.799993 0.829656 0.910366 O\n0.200007 0.829656 0.910366 O\n0.000000 0.876718 0.756204 O\n0.000000 0.884747 0.090391 O\n0.000000 0.880650 0.425511 O\n0.500000 0.947549 0.116473 O\n0.500000 0.943356 0.452161 O\n0.500000 0.942783 0.784708 O\n",
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"volume": 865.0166430567696,
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"formula_full": "Mn4 Fe4 Co4 P12 O48",
"formula_reduced": "MnFeCo(PO4)3",
"formula_anonymous": "ABCD3E12",
"energy": -564.521658,
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"updated_at": "2021-11-28T01:35:08.408000Z",
"spacegroup": 6
},
{
"id": "mp-1100610",
"created_at": "2022-09-04T14:40:44.170491Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.903723 0.000000 0.000000\n0.000000 9.852144 0.000000\n0.000000 1.717351 10.084186\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.269584 0.867553 Li\n0.500000 0.736856 0.634899 Li\n0.500000 0.249144 0.373818 Li\n0.000000 0.256833 0.621239 Li\n0.000000 0.744908 0.379889 Li\n0.000000 0.263383 0.124532 Li\n0.500000 0.742265 0.126128 Li\n0.000000 0.740867 0.875034 Li\n0.000000 0.497412 0.749553 Li\n0.000000 0.998953 0.002107 Mn\n0.500000 0.496092 0.507991 Mn\n0.000000 0.000208 0.498250 Co\n0.000000 0.499060 0.245243 Co\n0.500000 0.001038 0.256097 Co\n0.500000 0.508548 0.979401 Co\n0.500000 0.000144 0.747473 Co\n0.500000 0.111076 0.052262 O\n0.500000 0.624721 0.822530 O\n0.500000 0.114345 0.558492 O\n0.000000 0.101932 0.818406 O\n0.000000 0.610074 0.555569 O\n0.000000 0.117954 0.310592 O\n0.500000 0.609635 0.319782 O\n0.000000 0.613409 0.064709 O\n0.500000 0.382084 0.671093 O\n0.500000 0.880973 0.440035 O\n0.500000 0.385013 0.192443 O\n0.000000 0.390066 0.441870 O\n0.000000 0.890686 0.178451 O\n0.000000 0.383574 0.943317 O\n0.500000 0.888566 0.949231 O\n0.000000 0.890598 0.692008 O\n",
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"elements": [
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],
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"density": 4.16161108594911,
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"volume": 288.487355749084,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
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"updated_at": "2021-11-28T01:35:11.276000Z",
"spacegroup": 6
},
{
"id": "mp-757104",
"created_at": "2022-09-04T14:40:44.198557Z",
"structure_string": "Li4 Mn1 Co3 P4 O16\n1.0\n6.015330 0.000000 0.000000\n0.000000 4.759883 0.000000\n0.000000 0.007280 10.351829\nLi Mn Co P O\n4 1 3 4 16\ndirect\n0.250356 0.000374 0.998725 Li\n0.749644 0.000374 0.998725 Li\n0.748869 0.499610 0.500842 Li\n0.251131 0.499610 0.500842 Li\n0.000000 0.973461 0.280184 Mn\n0.500000 0.025722 0.721070 Co\n0.500000 0.476977 0.218860 Co\n0.000000 0.522745 0.779931 Co\n0.000000 0.086396 0.596098 P\n0.000000 0.415773 0.091135 P\n0.500000 0.587700 0.905803 P\n0.500000 0.910287 0.407321 P\n0.000000 0.210174 0.457547 O\n0.205264 0.222846 0.666797 O\n0.794736 0.222846 0.666797 O\n0.500000 0.232856 0.401267 O\n0.500000 0.264848 0.901748 O\n0.206010 0.281748 0.162006 O\n0.793990 0.281748 0.162006 O\n0.000000 0.292181 0.952053 O\n0.500000 0.707713 0.045352 O\n0.704992 0.725583 0.834969 O\n0.295008 0.725583 0.834969 O\n0.000000 0.737886 0.094214 O\n0.000000 0.763095 0.598820 O\n0.702217 0.769025 0.337047 O\n0.297783 0.769025 0.337047 O\n0.500000 0.793812 0.547823 O\n",
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"nelements": 5,
"elements": [
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],
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"density": 3.5821199769099903,
"density_atomic": 0.09446810565245939,
"volume": 296.3963319324912,
"volume_molar": 6.374787255875517,
"formula_full": "Li4 Mn1 Co3 P4 O16",
"formula_reduced": "Li4MnCo3(PO4)4",
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"energy": -207.21877213,
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{
"id": "mp-780297",
"created_at": "2022-09-04T14:40:52.265530Z",
"structure_string": "Li6 Mn4 Fe2 B6 O18\n1.0\n3.170523 0.000000 0.000000\n0.000000 8.253932 0.000000\n0.000000 0.015808 14.316565\nLi Mn Fe B O\n6 4 2 6 18\ndirect\n0.500000 0.708057 0.991098 Li\n0.500000 0.659742 0.357837 Li\n0.500000 0.633457 0.651003 Li\n0.500000 0.206636 0.491533 Li\n0.500000 0.158136 0.857898 Li\n0.500000 0.131860 0.150664 Li\n0.000000 0.864587 0.505791 Mn\n0.000000 0.366643 0.006112 Mn\n0.000000 0.326410 0.314609 Mn\n0.000000 0.308890 0.679770 Mn\n0.000000 0.824402 0.816136 Fe\n0.000000 0.812053 0.179644 Fe\n0.500000 0.998308 0.667705 B\n0.000000 0.998827 0.999140 B\n0.500000 0.998958 0.332189 B\n0.500000 0.502602 0.167014 B\n0.000000 0.499909 0.500013 B\n0.500000 0.502255 0.833467 B\n0.500000 0.987888 0.428929 O\n0.500000 0.981807 0.764292 O\n0.500000 0.861259 0.610852 O\n0.500000 0.859541 0.277672 O\n0.000000 0.845949 0.957712 O\n0.500000 0.655690 0.126655 O\n0.500000 0.653585 0.790798 O\n0.000000 0.635733 0.442154 O\n0.000000 0.518586 0.596764 O\n0.500000 0.490554 0.930305 O\n0.500000 0.486243 0.263891 O\n0.500000 0.363546 0.111308 O\n0.500000 0.362222 0.779792 O\n0.000000 0.345000 0.460956 O\n0.500000 0.151627 0.626555 O\n0.500000 0.150260 0.289589 O\n0.000000 0.136621 0.943665 O\n0.000000 0.012160 0.096489 O\n",
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"elements": [
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"formula_full": "Li6 Mn4 Fe2 B6 O18",
"formula_reduced": "Li3Mn2Fe(BO3)3",
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"spacegroup": 6
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{
"id": "mp-1177892",
"created_at": "2022-09-04T14:40:52.433640Z",
"structure_string": "Li4 Ni6 B6 O18\n1.0\n6.078499 0.000000 0.000000\n0.000000 8.103279 0.000000\n0.000000 4.035873 7.032609\nLi Ni B O\n4 6 6 18\ndirect\n0.500000 0.697118 0.279859 Li\n0.000000 0.279277 0.021578 Li\n0.000000 0.025203 0.698815 Li\n0.500000 0.023635 0.699647 Li\n0.249669 0.985181 0.376400 Ni\n0.750331 0.985181 0.376400 Ni\n0.249175 0.384245 0.633254 Ni\n0.750825 0.384245 0.633254 Ni\n0.250482 0.628753 0.989974 Ni\n0.749518 0.628753 0.989974 Ni\n0.500000 0.333366 0.334313 B\n0.000000 0.330751 0.336409 B\n0.251251 0.001324 0.995712 B\n0.748749 0.001324 0.995712 B\n0.000000 0.668368 0.670135 B\n0.500000 0.668641 0.664103 B\n0.734046 0.805501 0.091354 O\n0.265954 0.805501 0.091354 O\n0.500000 0.784840 0.466174 O\n0.000000 0.783452 0.475481 O\n0.500000 0.457393 0.141176 O\n0.000000 0.447029 0.140748 O\n0.234611 0.092289 0.099607 O\n0.765389 0.092289 0.099607 O\n0.000000 0.748214 0.788481 O\n0.500000 0.749524 0.780650 O\n0.500000 0.411376 0.453114 O\n0.000000 0.400168 0.460122 O\n0.000000 0.134055 0.412838 O\n0.500000 0.137842 0.412265 O\n0.000000 0.470932 0.751346 O\n0.500000 0.473783 0.742243 O\n0.250921 0.100318 0.798736 O\n0.749079 0.100318 0.798736 O\n",
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"volume": 346.3965945990287,
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"formula_full": "Li4 Ni6 B6 O18",
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"spacegroup": 6
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{
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"structure_string": "Co2 P4 W2 O16\n1.0\n-0.088026 0.001055 4.956528\n10.136660 -0.001246 -0.189942\n-0.000846 5.986477 0.001055\nCo P W O\n2 4 2 16\ndirect\n0.069399 0.718026 0.750069 Co\n0.942551 0.277220 0.250354 Co\n0.403600 0.092140 0.249908 P\n0.597570 0.908064 0.749988 P\n0.884068 0.409139 0.749946 P\n0.112109 0.590780 0.250069 P\n0.441933 0.222630 0.750149 W\n0.557456 0.778149 0.249999 W\n0.683255 0.054555 0.749911 O\n0.316049 0.946050 0.250165 O\n0.707847 0.113054 0.249403 O\n0.294554 0.885724 0.750090 O\n0.183846 0.379799 0.750118 O\n0.812458 0.619488 0.249982 O\n0.161374 0.444798 0.250225 O\n0.839912 0.555372 0.749778 O\n0.265298 0.165817 0.046370 O\n0.266024 0.166083 0.453684 O\n0.734680 0.835015 0.545121 O\n0.734647 0.835036 0.954764 O\n0.728035 0.333401 0.552057 O\n0.727718 0.333689 0.947822 O\n0.267860 0.667925 0.052761 O\n0.267756 0.668044 0.447266 O\n",
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{
"id": "mp-1227658",
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"structure_string": "Ba1 Sr3 Ag4\n1.0\n0.000000 4.919967 0.000000\n0.053173 0.000000 6.451079\n8.370457 0.000000 0.068371\nBa Sr Ag\n1 3 4\ndirect\n0.250000 0.870609 0.679233 Ba\n0.250000 0.631304 0.179878 Sr\n0.750000 0.133809 0.315979 Sr\n0.750000 0.367746 0.822005 Sr\n0.250000 0.376633 0.531593 Ag\n0.250000 0.125039 0.039512 Ag\n0.750000 0.616330 0.459374 Ag\n0.750000 0.878530 0.972426 Ag\n",
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{
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{
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{
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"structure_string": "La1 Pr3 Mn4 O12\n1.0\n7.930246 0.000000 0.000000\n0.000000 5.540343 0.000000\n0.000000 0.006877 5.648683\nLa Pr Mn O\n1 3 4 12\ndirect\n0.500000 0.489616 0.539813 La\n0.500000 0.012607 0.044128 Pr\n0.000000 0.512748 0.454600 Pr\n0.000000 0.988072 0.955260 Pr\n0.249398 0.000157 0.500363 Mn\n0.750383 0.499736 0.999521 Mn\n0.750602 0.000157 0.500363 Mn\n0.249617 0.499736 0.999521 Mn\n0.295433 0.214889 0.792551 O\n0.704599 0.282264 0.289263 O\n0.796809 0.782021 0.210248 O\n0.202339 0.716714 0.709910 O\n0.203191 0.782021 0.210248 O\n0.797661 0.716714 0.709910 O\n0.704567 0.214889 0.792551 O\n0.295401 0.282264 0.289263 O\n0.500000 0.586913 0.979004 O\n0.500000 0.917520 0.476888 O\n0.000000 0.413698 0.023153 O\n0.000000 0.087264 0.523442 O\n",
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{
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"structure_string": "Li8 Ni6 Sn2 P8 O32\n1.0\n4.799768 -0.037025 -0.001084\n-0.081692 10.649146 6.043509\n-0.002728 -0.000859 12.088514\nLi Ni Sn P O\n8 6 2 8 32\ndirect\n0.011938 0.986614 0.507516 Li\n0.011816 0.986666 0.007536 Li\n0.011891 0.986553 0.755863 Li\n0.011777 0.986682 0.255746 Li\n0.501289 0.518450 0.987639 Li\n0.501302 0.518393 0.487652 Li\n0.501200 0.518425 0.743821 Li\n0.501222 0.518385 0.243875 Li\n0.526378 0.780753 0.234559 Ni\n0.015982 0.730394 0.009853 Ni\n0.016062 0.730463 0.509634 Ni\n0.484153 0.214005 0.267978 Ni\n0.484193 0.213951 0.768072 Ni\n0.526835 0.780717 0.734581 Ni\n0.993838 0.280563 0.984765 Sn\n0.993953 0.280508 0.484824 Sn\n0.086845 0.612991 0.818474 P\n0.086788 0.613130 0.318439 P\n0.436762 0.070907 0.089497 P\n0.436809 0.070901 0.589494 P\n0.589867 0.904552 0.922790 P\n0.589866 0.904593 0.422718 P\n0.876942 0.412583 0.168752 P\n0.876942 0.412587 0.668761 P\n0.213660 0.479725 0.884757 O\n0.213966 0.479956 0.384730 O\n0.190215 0.388654 0.180802 O\n0.190201 0.388664 0.680732 O\n0.269033 0.897990 0.926245 O\n0.269054 0.898014 0.426195 O\n0.295949 0.938222 0.655950 O\n0.295695 0.938265 0.155948 O\n0.714632 0.040592 0.354542 O\n0.714809 0.040523 0.854718 O\n0.755292 0.066266 0.091977 O\n0.755417 0.066313 0.591943 O\n0.765450 0.612547 0.818614 O\n0.765459 0.612575 0.318599 O\n0.795171 0.553819 0.098143 O\n0.795085 0.553816 0.598086 O\n0.221426 0.679922 0.681681 O\n0.221298 0.680239 0.181620 O\n0.221316 0.679382 0.888939 O\n0.221491 0.679624 0.388809 O\n0.316578 0.139783 0.950373 O\n0.316553 0.139764 0.450397 O\n0.316683 0.139805 0.159663 O\n0.316697 0.139802 0.659653 O\n0.725720 0.834230 0.856501 O\n0.725726 0.834124 0.356517 O\n0.726801 0.833953 0.059361 O\n0.726733 0.834242 0.559183 O\n0.717250 0.348865 0.100539 O\n0.717206 0.348768 0.600637 O\n0.717365 0.348869 0.300645 O\n0.717412 0.348918 0.800667 O\n",
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{
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}