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{
"id": "mp-720222",
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"structure_string": "Na6 Ca2 Al6 Si6 S2 O32\n1.0\n7.828680 0.000000 0.000000\n2.622961 7.402703 0.000000\n0.025454 0.018861 12.815827\nNa Ca Al Si S O\n6 2 6 6 2 32\ndirect\n0.194873 0.805242 0.821361 Na\n0.704032 0.297701 0.294374 Na\n0.182303 0.812194 0.173243 Na\n0.101300 0.503878 0.498704 Na\n0.003408 0.374940 0.001714 Na\n0.629621 0.995174 0.001039 Na\n0.678892 0.328834 0.699547 Ca\n0.495951 0.860251 0.500412 Ca\n0.628621 0.628015 0.874713 Al\n0.375365 0.369518 0.873762 Al\n0.116963 0.130490 0.629412 Al\n0.498686 0.997670 0.248585 Al\n0.871283 0.878943 0.630024 Al\n0.003124 0.499235 0.249767 Al\n0.007676 0.505076 0.750014 Si\n0.124703 0.119052 0.377243 Si\n0.493483 0.993871 0.749704 Si\n0.877294 0.872586 0.378014 Si\n0.628082 0.621157 0.123209 Si\n0.380484 0.372164 0.122770 Si\n0.509525 0.500285 0.503668 S\n0.990130 0.010340 0.995639 S\n0.553880 0.861093 0.849733 O\n0.005408 0.701914 0.707830 O\n0.805424 0.511985 0.788244 O\n0.412692 0.606514 0.596856 O\n0.700272 0.503889 0.509250 O\n0.062644 0.362524 0.652124 O\n0.465914 0.534711 0.838804 O\n0.055935 0.333723 0.349955 O\n0.491246 0.209240 0.201725 O\n0.657710 0.939661 0.353574 O\n0.198195 0.083348 0.498272 O\n0.142347 0.442114 0.849447 O\n0.508391 0.312554 0.509580 O\n0.293963 0.996593 0.306154 O\n0.885558 0.113414 0.904583 O\n0.903607 0.096112 0.095368 O\n0.181493 0.009860 0.991309 O\n0.550873 0.836491 0.149641 O\n0.492259 0.194734 0.784720 O\n0.948556 0.047929 0.359547 O\n0.920533 0.076882 0.649692 O\n0.634102 0.928636 0.649331 O\n0.701463 0.593331 0.004135 O\n0.991125 0.818996 0.992176 O\n0.900690 0.806042 0.498854 O\n0.298606 0.993762 0.704519 O\n0.421649 0.598557 0.407632 O\n0.995552 0.708169 0.303651 O\n0.456817 0.543607 0.141795 O\n0.164486 0.450155 0.149615 O\n0.791221 0.509103 0.201080 O\n0.411590 0.297739 0.003881 O\n",
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"formula_full": "Na6 Ca2 Al6 Si6 S2 O32",
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},
{
"id": "mp-1358627",
"created_at": "2022-09-04T14:39:08.244752Z",
"structure_string": "Ba4 Ce1 Eu3 Tl2 Cu4 O18\n1.0\n-3.882462 0.000000 0.000000\n-0.001526 -7.748122 0.000000\n1.941688 1.931255 15.694259\nBa Ce Eu Tl Cu O\n4 1 3 2 4 18\ndirect\n0.584825 0.707362 0.830239 Ba\n0.584842 0.207718 0.830144 Ba\n0.415387 0.292313 0.169180 Ba\n0.415033 0.792372 0.169771 Ba\n0.290213 0.354809 0.419562 Ce\n0.708327 0.144598 0.583568 Eu\n0.708270 0.647277 0.583548 Eu\n0.291162 0.854417 0.417489 Eu\n0.052155 0.999866 0.000088 Tl\n0.947094 0.500010 0.999919 Tl\n0.150058 0.424773 0.698684 Cu\n0.150774 0.925209 0.700579 Cu\n0.848398 0.575735 0.300990 Cu\n0.849933 0.074592 0.301164 Cu\n0.656317 0.421543 0.685870 O\n0.656730 0.922242 0.689122 O\n0.156301 0.672716 0.687795 O\n0.156282 0.171409 0.687879 O\n0.342255 0.572651 0.312920 O\n0.344180 0.083834 0.312946 O\n0.842198 0.328641 0.315089 O\n0.843826 0.827846 0.311905 O\n0.500206 0.250342 0.999905 O\n0.500313 0.749754 0.000216 O\n0.057586 0.466331 0.865152 O\n0.077106 0.966230 0.865599 O\n0.922798 0.533523 0.134781 O\n0.942637 0.033913 0.134771 O\n0.752905 0.373741 0.494495 O\n0.749444 0.875294 0.500951 O\n0.251309 0.616618 0.497848 O\n0.251137 0.132321 0.497833 O\n",
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"formula_full": "Ba4 Ce1 Eu3 Tl2 Cu4 O18",
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},
{
"id": "mp-684853",
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"structure_string": "Ba2 Yb2 Al4 Si3 N10 O4\n1.0\n6.807299 0.000000 0.000000\n-3.016467 6.519538 0.000000\n-0.295941 -1.788352 8.049037\nBa Yb Al Si N O\n2 2 4 3 10 4\ndirect\n0.613857 0.318099 0.154511 Ba\n0.413548 0.760617 0.613435 Ba\n0.653503 0.298204 0.807020 Yb\n0.178858 0.559045 0.209240 Yb\n0.839790 0.172921 0.459618 Al\n0.089296 0.770972 0.913813 Al\n0.545692 0.821601 0.040716 Al\n0.185035 0.385192 0.845923 Al\n0.876348 0.607436 0.500144 Si\n0.963967 0.928620 0.197597 Si\n0.431539 0.283757 0.499088 Si\n0.977434 0.774836 0.348987 N\n0.437622 0.532177 0.008652 N\n0.998741 0.496861 0.948427 N\n0.202892 0.894181 0.382590 N\n0.234931 0.087390 0.338207 N\n0.391647 0.936352 0.940662 N\n0.755555 0.999846 0.233407 N\n0.991755 0.440176 0.434740 N\n0.596367 0.513442 0.452111 N\n0.936323 0.151019 0.690808 N\n0.972701 0.732419 0.696395 O\n0.582470 0.158242 0.536115 O\n0.780722 0.040818 0.780273 O\n0.349406 0.335778 0.679419 O\n",
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],
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"formula_full": "Ba2 Yb2 Al4 Si3 N10 O4",
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{
"id": "mp-1224302",
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"structure_string": "K4 V4 Fe4 P8 H20 O44\n1.0\n9.800133 0.000000 0.000000\n0.000000 9.846336 0.000000\n0.000000 7.765760 9.657087\nK V Fe P H O\n4 4 4 8 20 44\ndirect\n0.695947 0.881650 0.600540 K\n0.195947 0.118350 0.899460 K\n0.304053 0.118350 0.399460 K\n0.804053 0.881650 0.100540 K\n0.951732 0.522380 0.868769 V\n0.451732 0.477620 0.631231 V\n0.048268 0.477620 0.131231 V\n0.548268 0.522380 0.368769 V\n0.729014 0.215062 0.189007 Fe\n0.229014 0.784938 0.310993 Fe\n0.270986 0.784938 0.810993 Fe\n0.770986 0.215062 0.689007 Fe\n0.821714 0.340067 0.371526 P\n0.321714 0.659933 0.128474 P\n0.178286 0.659933 0.628474 P\n0.678286 0.340067 0.871526 P\n0.029109 0.142468 0.147429 P\n0.529109 0.857532 0.352571 P\n0.970891 0.857532 0.852571 P\n0.470891 0.142468 0.647429 P\n0.474622 0.352072 0.102161 H\n0.974622 0.647928 0.397839 H\n0.525378 0.647928 0.897839 H\n0.025378 0.352072 0.602161 H\n0.524669 0.435995 0.175051 H\n0.024669 0.564005 0.324949 H\n0.475331 0.564005 0.824949 H\n0.975331 0.435995 0.675051 H\n0.586323 0.703218 0.033528 H\n0.086323 0.296782 0.466472 H\n0.413677 0.296782 0.966472 H\n0.913677 0.703218 0.533528 H\n0.650878 0.840894 0.885120 H\n0.150878 0.159106 0.614880 H\n0.349122 0.159106 0.114880 H\n0.849122 0.840894 0.385120 H\n0.796337 0.542425 0.029390 H\n0.296337 0.457575 0.470610 H\n0.203663 0.457575 0.970610 H\n0.703663 0.542425 0.529390 H\n0.122582 0.998985 0.175901 O\n0.622582 0.001015 0.324099 O\n0.877418 0.001015 0.824099 O\n0.377418 0.998985 0.675901 O\n0.835104 0.235538 0.528809 O\n0.335104 0.764462 0.971191 O\n0.164896 0.764462 0.471191 O\n0.664896 0.235538 0.028809 O\n0.649287 0.715777 0.965628 O\n0.149287 0.284223 0.534372 O\n0.350713 0.284223 0.034372 O\n0.850713 0.715777 0.465628 O\n0.548565 0.354056 0.156348 O\n0.048565 0.645944 0.343652 O\n0.451435 0.645944 0.843652 O\n0.951435 0.354056 0.656348 O\n0.728464 0.501333 0.301684 O\n0.228464 0.498667 0.198316 O\n0.271536 0.498667 0.698316 O\n0.771536 0.501333 0.801684 O\n0.772696 0.214356 0.345169 O\n0.272696 0.785644 0.154831 O\n0.227304 0.785644 0.654831 O\n0.727304 0.214356 0.845169 O\n0.887716 0.063882 0.218870 O\n0.387716 0.936118 0.281130 O\n0.112284 0.936118 0.781130 O\n0.612284 0.063882 0.718870 O\n0.969297 0.409690 0.309285 O\n0.469297 0.590310 0.190715 O\n0.030703 0.590310 0.690715 O\n0.530703 0.409690 0.809285 O\n0.857245 0.443866 0.059398 O\n0.357245 0.556134 0.440602 O\n0.142755 0.556134 0.940602 O\n0.642755 0.443866 0.559398 O\n0.093490 0.236955 0.198853 O\n0.593490 0.763045 0.301147 O\n0.906510 0.763045 0.801147 O\n0.406510 0.236955 0.698853 O\n0.010056 0.273125 0.987553 O\n0.510056 0.726875 0.512447 O\n0.989944 0.726875 0.012447 O\n0.489944 0.273125 0.487553 O\n",
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{
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"structure_string": "Nd2 H36 C6 S6 O36 F18\n1.0\n7.041271 -12.195840 0.000000\n7.041271 12.195840 0.000000\n0.000000 0.000000 7.373347\nNd H C S O F\n2 36 6 6 36 18\ndirect\n0.333333 0.666667 0.750000 Nd\n0.666667 0.333333 0.250000 Nd\n0.364506 0.870742 0.536123 H\n0.493764 0.364506 0.036123 H\n0.870742 0.506236 0.036123 H\n0.129258 0.493764 0.536123 H\n0.506236 0.635494 0.536123 H\n0.635494 0.129258 0.036123 H\n0.635494 0.129258 0.463877 H\n0.506236 0.635494 0.963877 H\n0.129258 0.493764 0.963877 H\n0.870742 0.506236 0.463877 H\n0.493764 0.364506 0.463877 H\n0.364506 0.870742 0.963877 H\n0.276856 0.770252 0.422573 H\n0.506604 0.276856 0.922573 H\n0.770252 0.493396 0.922573 H\n0.229748 0.506604 0.422573 H\n0.493396 0.723144 0.422573 H\n0.723144 0.229748 0.922573 H\n0.723144 0.229748 0.577427 H\n0.493396 0.723144 0.077427 H\n0.229748 0.506604 0.077427 H\n0.770252 0.493396 0.577427 H\n0.506604 0.276856 0.577427 H\n0.276856 0.770252 0.077427 H\n0.099484 0.646073 0.642516 H\n0.453412 0.099484 0.142516 H\n0.646073 0.546588 0.142516 H\n0.353927 0.453412 0.642516 H\n0.546588 0.900516 0.642516 H\n0.900516 0.353927 0.142516 H\n0.900516 0.353927 0.357484 H\n0.546588 0.900516 0.857484 H\n0.353927 0.453412 0.857484 H\n0.646073 0.546588 0.357484 H\n0.453412 0.099484 0.357484 H\n0.099484 0.646073 0.857484 H\n0.776953 0.771442 0.750000 C\n0.005511 0.776953 0.250000 C\n0.771442 0.994489 0.250000 C\n0.228558 0.005511 0.750000 C\n0.994489 0.223047 0.750000 C\n0.223047 0.228558 0.250000 C\n0.679313 0.620137 0.750000 S\n0.059176 0.679313 0.250000 S\n0.620137 0.940824 0.250000 S\n0.379863 0.059176 0.750000 S\n0.940824 0.320687 0.750000 S\n0.320687 0.379863 0.250000 S\n0.337949 0.793010 0.508829 O\n0.544939 0.337949 0.008829 O\n0.793010 0.455061 0.008829 O\n0.206990 0.544939 0.508829 O\n0.455061 0.662051 0.508829 O\n0.662051 0.206990 0.008829 O\n0.662051 0.206990 0.491171 O\n0.455061 0.662051 0.991171 O\n0.206990 0.544939 0.991171 O\n0.793010 0.455061 0.491171 O\n0.544939 0.337949 0.491171 O\n0.337949 0.793010 0.991171 O\n0.143845 0.653703 0.750000 O\n0.490142 0.143845 0.250000 O\n0.653703 0.509858 0.250000 O\n0.346297 0.490142 0.750000 O\n0.509858 0.856155 0.750000 O\n0.856155 0.346297 0.250000 O\n0.616418 0.600772 0.582296 O\n0.015647 0.616418 0.082296 O\n0.600772 0.984353 0.082296 O\n0.399228 0.015647 0.582296 O\n0.984353 0.383582 0.582296 O\n0.383582 0.399228 0.082296 O\n0.383582 0.399228 0.417704 O\n0.984353 0.383582 0.917704 O\n0.399228 0.015647 0.917704 O\n0.600772 0.984353 0.417704 O\n0.015647 0.616418 0.417704 O\n0.616418 0.600772 0.917704 O\n0.750638 0.571894 0.750000 O\n0.178744 0.750638 0.250000 O\n0.571894 0.821256 0.250000 O\n0.428106 0.178744 0.750000 O\n0.821256 0.249362 0.750000 O\n0.249362 0.428106 0.250000 O\n0.719516 0.825018 0.750000 F\n0.894498 0.719516 0.250000 F\n0.825018 0.105502 0.250000 F\n0.174982 0.894498 0.750000 F\n0.105502 0.280484 0.750000 F\n0.280484 0.174982 0.250000 F\n0.841208 0.800797 0.601028 F\n0.040410 0.841208 0.101028 F\n0.800797 0.959590 0.101028 F\n0.199203 0.040410 0.601028 F\n0.959590 0.158792 0.601028 F\n0.158792 0.199203 0.101028 F\n0.158792 0.199203 0.398972 F\n0.959590 0.158792 0.898972 F\n0.199203 0.040410 0.898972 F\n0.800797 0.959590 0.398972 F\n0.040410 0.841208 0.398972 F\n0.841208 0.800797 0.898972 F\n",
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{
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{
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{
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"structure_string": "Rb12 Li2 Pr22 Se24 Cl32 O72\n1.0\n-8.058455 8.058455 12.599747\n8.058455 -8.058455 12.599747\n8.058455 8.058455 -12.599747\nRb Li Pr Se Cl O\n12 2 22 24 32 72\ndirect\n0.379923 0.629391 0.009314 Rb\n0.876312 0.376312 0.252625 Rb\n0.129391 0.879923 0.009314 Rb\n0.629391 0.620077 0.249468 Rb\n0.376312 0.123688 0.500000 Rb\n0.620077 0.370609 0.990686 Rb\n0.623688 0.876312 0.500000 Rb\n0.370609 0.379923 0.750532 Rb\n0.123688 0.623688 0.747375 Rb\n0.870609 0.120077 0.990686 Rb\n0.120077 0.129391 0.249468 Rb\n0.879923 0.870609 0.750532 Rb\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.750000 0.493056 0.743056 Pr\n0.506944 0.250000 0.256944 Pr\n0.250000 0.993056 0.743056 Pr\n0.497512 0.997512 0.742508 Pr\n0.006944 0.750000 0.256944 Pr\n0.250000 0.506944 0.256944 Pr\n0.997512 0.255005 0.500000 Pr\n0.993056 0.250000 0.743056 Pr\n0.500000 0.500000 0.500000 Pr\n0.244995 0.502488 0.500000 Pr\n0.000000 0.500000 0.000000 Pr\n0.744995 0.244995 0.742508 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O\n0.936238 0.806066 0.377559 O\n0.058679 0.928507 0.622441 O\n0.176301 0.262779 0.837412 O\n0.905061 0.576666 0.086551 O\n0.435947 0.812218 0.618547 O\n0.071493 0.693934 0.130172 O\n0.425367 0.338888 0.162588 O\n0.594939 0.681490 0.671605 O\n",
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{
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"created_at": "2022-09-04T14:39:23.387276Z",
"structure_string": "Li12 Mn4 Fe4 Co4 P12 O48\n1.0\n10.417476 0.000000 0.021592\n0.000000 6.100445 0.000000\n0.029809 0.000000 14.315625\nLi Mn Fe Co P O\n12 4 4 4 12 48\ndirect\n0.996023 0.499501 0.667157 Li\n0.999522 0.000838 0.999121 Li\n0.999522 0.499162 0.999121 Li\n0.997078 0.998697 0.333818 Li\n0.997078 0.501303 0.333818 Li\n0.996023 0.000499 0.667157 Li\n0.503066 0.999812 0.500472 Li\n0.503066 0.500188 0.500472 Li\n0.501458 0.999894 0.165454 Li\n0.501458 0.500106 0.165454 Li\n0.503192 0.999712 0.833705 Li\n0.503192 0.500288 0.833705 Li\n0.218474 0.750000 0.159275 Mn\n0.219209 0.750000 0.494028 Mn\n0.281903 0.250000 0.660648 Mn\n0.281327 0.250000 0.326384 Mn\n0.217330 0.750000 0.826655 Fe\n0.282735 0.250000 0.990681 Fe\n0.718887 0.750000 0.008449 Fe\n0.719327 0.750000 0.342027 Fe\n0.722770 0.750000 0.671274 Co\n0.780861 0.250000 0.839427 Co\n0.776997 0.250000 0.504828 Co\n0.780975 0.250000 0.172335 Co\n0.093072 0.250000 0.807463 P\n0.092829 0.250000 0.137747 P\n0.090025 0.250000 0.472912 P\n0.409126 0.750000 0.305392 P\n0.408757 0.750000 0.640079 P\n0.405456 0.750000 0.971712 P\n0.598101 0.250000 0.360539 P\n0.595490 0.250000 0.026772 P\n0.599248 0.250000 0.694797 P\n0.901936 0.750000 0.860321 P\n0.902350 0.750000 0.194460 P\n0.901785 0.750000 0.528155 P\n0.040511 0.750000 0.235789 O\n0.039940 0.750000 0.569283 O\n0.040821 0.750000 0.900723 O\n0.095563 0.250000 0.580319 O\n0.097524 0.250000 0.914632 O\n0.097168 0.250000 0.245319 O\n0.163461 0.048497 0.092453 O\n0.163461 0.451503 0.092453 O\n0.160224 0.048014 0.427489 O\n0.160224 0.451986 0.427489 O\n0.163956 0.046977 0.762868 O\n0.163956 0.453023 0.762868 O\n0.339706 0.547947 0.594155 O\n0.339706 0.952053 0.594155 O\n0.339156 0.547623 0.260862 O\n0.339156 0.952377 0.260862 O\n0.334288 0.547204 0.927731 O\n0.334288 0.952796 0.927731 O\n0.404531 0.750000 0.412992 O\n0.402813 0.750000 0.079135 O\n0.401821 0.750000 0.747376 O\n0.460378 0.250000 0.403030 O\n0.456500 0.250000 0.067207 O\n0.460285 0.250000 0.735260 O\n0.547556 0.750000 0.264318 O\n0.543664 0.750000 0.930319 O\n0.548885 0.750000 0.600241 O\n0.600768 0.250000 0.253121 O\n0.600033 0.250000 0.919372 O\n0.602376 0.250000 0.586512 O\n0.665864 0.047670 0.072042 O\n0.669139 0.047735 0.405598 O\n0.668300 0.046803 0.739973 O\n0.668300 0.453197 0.739973 O\n0.665864 0.452330 0.072042 O\n0.669139 0.452265 0.405598 O\n0.832263 0.545442 0.904725 O\n0.832263 0.954558 0.904725 O\n0.832511 0.545272 0.238926 O\n0.831288 0.546742 0.573428 O\n0.832511 0.954728 0.238926 O\n0.831288 0.953258 0.573428 O\n0.899225 0.750000 0.752371 O\n0.901126 0.750000 0.420617 O\n0.900279 0.750000 0.086865 O\n0.954486 0.250000 0.767170 O\n0.953286 0.250000 0.098441 O\n0.950500 0.250000 0.433279 O\n",
"nsites": 84,
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"elements": [
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"Fe",
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],
"chemical_system": "Co-Fe-Li-Mn-O-P",
"density": 3.471238987237175,
"density_atomic": 0.09233084759181809,
"volume": 909.77178473821,
"volume_molar": 6.5223496990118095,
"formula_full": "Li12 Mn4 Fe4 Co4 P12 O48",
"formula_reduced": "Li3MnFeCo(PO4)3",
"formula_anonymous": "ABCD3E3F12",
"energy": -633.82381948,
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"energy_uncorrected": -578.59981948,
"band_gap": 2.0595000000000003,
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"updated_at": "2021-11-28T01:34:25.727000Z",
"spacegroup": 6
},
{
"id": "mp-754568",
"created_at": "2022-09-04T14:41:31.334939Z",
"structure_string": "Na5 Li1 Mn2 P2 C2 O14\n1.0\n8.987375 -0.000582 0.129369\n-0.000449 6.855514 0.000294\n0.059522 0.000219 5.194387\nNa Li Mn P C O\n5 1 2 2 2 14\ndirect\n0.253739 0.003978 0.253372 Na\n0.253737 0.495986 0.253396 Na\n0.741457 0.502450 0.740725 Na\n0.741449 0.997554 0.740779 Na\n0.913264 0.749999 0.233756 Na\n0.107167 0.249989 0.765962 Li\n0.356554 0.749735 0.776751 Mn\n0.633034 0.250316 0.219065 Mn\n0.406386 0.249961 0.711276 P\n0.585502 0.750061 0.282575 P\n0.059157 0.749962 0.728744 C\n0.951267 0.250012 0.281198 C\n0.082244 0.249972 0.381558 O\n0.116368 0.749924 0.956393 O\n0.148838 0.749949 0.527011 O\n0.311507 0.069745 0.796128 O\n0.311543 0.430170 0.796075 O\n0.426041 0.250061 0.411606 O\n0.427870 0.749930 0.167933 O\n0.564126 0.250078 0.827915 O\n0.567482 0.749949 0.583361 O\n0.677590 0.567420 0.196919 O\n0.677603 0.932729 0.196875 O\n0.833971 0.250052 0.436261 O\n0.935714 0.250023 0.032957 O\n0.916390 0.749994 0.701412 O\n",
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],
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"volume": 319.989365030663,
"volume_molar": 7.411619222760287,
"formula_full": "Na5 Li1 Mn2 P2 C2 O14",
"formula_reduced": "Na5LiMn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -187.10740055,
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"updated_at": "2021-11-28T01:35:20.409000Z",
"spacegroup": 6
},
{
"id": "mp-1197360",
"created_at": "2022-09-04T14:40:12.927192Z",
"structure_string": "Na4 Mn6 P4 H4 C16 O36\n1.0\n10.724454 0.000000 0.000000\n0.000000 5.929151 0.000000\n0.000000 3.972450 15.103674\nNa Mn P H C O\n4 6 4 4 16 36\ndirect\n0.247545 0.698212 0.678687 Na\n0.252455 0.698212 0.178687 Na\n0.752455 0.301788 0.321313 Na\n0.747545 0.301788 0.821313 Na\n0.054865 0.166141 0.742342 Mn\n0.445135 0.166141 0.242342 Mn\n0.945135 0.833859 0.257658 Mn\n0.554865 0.833859 0.757658 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.186356 0.112855 0.954760 P\n0.313644 0.112855 0.454760 P\n0.813644 0.887145 0.045240 P\n0.686356 0.887145 0.545240 P\n0.066742 0.955888 0.071237 H\n0.433258 0.955888 0.571237 H\n0.933258 0.044112 0.928763 H\n0.566742 0.044112 0.428763 H\n0.845554 0.820012 0.764050 C\n0.654446 0.820012 0.264050 C\n0.154446 0.179988 0.235950 C\n0.345554 0.179988 0.735950 C\n0.965827 0.680512 0.755799 C\n0.534173 0.680512 0.255799 C\n0.034173 0.319488 0.244201 C\n0.465827 0.319488 0.744201 C\n0.030527 0.472667 0.546886 C\n0.469473 0.472667 0.046886 C\n0.969473 0.527333 0.453114 C\n0.530527 0.527333 0.953114 C\n0.166770 0.415706 0.952173 C\n0.333230 0.415706 0.452173 C\n0.833230 0.584294 0.047827 C\n0.666770 0.584294 0.547827 C\n0.322897 0.077590 0.936436 O\n0.177103 0.077590 0.436436 O\n0.677103 0.922410 0.063564 O\n0.822897 0.922410 0.563564 O\n0.085745 0.067826 0.891174 O\n0.414255 0.067826 0.391174 O\n0.914255 0.932174 0.108826 O\n0.585745 0.932174 0.608826 O\n0.156650 0.954504 0.052684 O\n0.343350 0.954504 0.552684 O\n0.843350 0.045496 0.947316 O\n0.656650 0.045496 0.447316 O\n0.859124 0.035645 0.757437 O\n0.640876 0.035645 0.257437 O\n0.140876 0.964355 0.242563 O\n0.359124 0.964355 0.742563 O\n0.743611 0.708187 0.776769 O\n0.756389 0.708187 0.276769 O\n0.256389 0.291813 0.223231 O\n0.243611 0.291813 0.723231 O\n0.953694 0.463985 0.764092 O\n0.546306 0.463985 0.264092 O\n0.046306 0.536015 0.235908 O\n0.453694 0.536015 0.735908 O\n0.065870 0.797639 0.740539 O\n0.434130 0.797639 0.240539 O\n0.934130 0.202361 0.259461 O\n0.565870 0.202361 0.759461 O\n0.066438 0.643235 0.575225 O\n0.433562 0.643235 0.075225 O\n0.933562 0.356765 0.424775 O\n0.566438 0.356765 0.924775 O\n0.039126 0.257376 0.588440 O\n0.460874 0.257376 0.088440 O\n0.960874 0.742624 0.411560 O\n0.539126 0.742624 0.911560 O\n",
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],
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"volume": 960.3959163910658,
"volume_molar": 8.262341991194557,
"formula_full": "Na4 Mn6 P4 H4 C16 O36",
"formula_reduced": "Na2Mn3P2H2(C4O9)2",
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"updated_at": "2021-11-28T01:34:55.883000Z",
"spacegroup": 14
}
]
}