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{
"id": "mp-779907",
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"structure_string": "Li8 Mn8 P8 H16 O40\n1.0\n5.140066 0.000000 0.000000\n0.000000 10.213774 0.000000\n0.000000 0.000000 17.142305\nLi Mn P H O\n8 8 8 16 40\ndirect\n0.528466 0.149517 0.193358 Li\n0.471534 0.149517 0.693358 Li\n0.098062 0.420045 0.945791 Li\n0.901938 0.420045 0.445791 Li\n0.471534 0.649517 0.806642 Li\n0.528466 0.649517 0.306642 Li\n0.098062 0.920045 0.554209 Li\n0.901938 0.920045 0.054209 Li\n0.465407 0.182934 0.500188 Mn\n0.534593 0.182934 0.000188 Mn\n0.907600 0.391231 0.251099 Mn\n0.092400 0.391231 0.751099 Mn\n0.465407 0.682934 0.999812 Mn\n0.534593 0.682934 0.499812 Mn\n0.092400 0.891231 0.748901 Mn\n0.907600 0.891231 0.248901 Mn\n0.010369 0.226067 0.092528 P\n0.989631 0.226067 0.592528 P\n0.410351 0.345284 0.342425 P\n0.589649 0.345284 0.842425 P\n0.989631 0.726067 0.907472 P\n0.010369 0.726067 0.407472 P\n0.589649 0.845284 0.657575 P\n0.410351 0.845284 0.157575 P\n0.090914 0.003642 0.375761 H\n0.909086 0.003642 0.875761 H\n0.630407 0.053911 0.376810 H\n0.369593 0.053911 0.876810 H\n0.165503 0.111157 0.311345 H\n0.834497 0.111157 0.811345 H\n0.659927 0.449402 0.056591 H\n0.340073 0.449402 0.556591 H\n0.090914 0.503642 0.124239 H\n0.909086 0.503642 0.624239 H\n0.369593 0.553911 0.623190 H\n0.630407 0.553911 0.123190 H\n0.834497 0.611157 0.688655 H\n0.165503 0.611157 0.188655 H\n0.659927 0.949402 0.443409 H\n0.340073 0.949402 0.943409 H\n0.543052 0.020319 0.423951 O\n0.456948 0.020319 0.923951 O\n0.029837 0.044093 0.326619 O\n0.970163 0.044093 0.826619 O\n0.875711 0.111556 0.047501 O\n0.124289 0.111556 0.547501 O\n0.692772 0.198207 0.599660 O\n0.307228 0.198207 0.099660 O\n0.576969 0.214271 0.796991 O\n0.423031 0.214271 0.296991 O\n0.886758 0.234651 0.175653 O\n0.113242 0.234651 0.675653 O\n0.456429 0.333252 0.924189 O\n0.543571 0.333252 0.424189 O\n0.957672 0.354783 0.046676 O\n0.042328 0.354783 0.546676 O\n0.120068 0.385291 0.353141 O\n0.879932 0.385291 0.853141 O\n0.555962 0.454794 0.296037 O\n0.444038 0.454794 0.796037 O\n0.543052 0.520319 0.076049 O\n0.456948 0.520319 0.576049 O\n0.029837 0.544093 0.173381 O\n0.970163 0.544093 0.673381 O\n0.124289 0.611556 0.952499 O\n0.875711 0.611556 0.452499 O\n0.692772 0.698207 0.900340 O\n0.307228 0.698207 0.400340 O\n0.576969 0.714271 0.703009 O\n0.423031 0.714271 0.203009 O\n0.886758 0.734651 0.324347 O\n0.113242 0.734651 0.824347 O\n0.456429 0.833252 0.575811 O\n0.543571 0.833252 0.075811 O\n0.957672 0.854783 0.453324 O\n0.042328 0.854783 0.953324 O\n0.879932 0.885291 0.646859 O\n0.120068 0.885291 0.146859 O\n0.444038 0.954794 0.703963 O\n0.555962 0.954794 0.203963 O\n",
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"elements": [
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"H",
"O"
],
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"density": 2.58118733495906,
"density_atomic": 0.08889264515584751,
"volume": 899.9619694041411,
"volume_molar": 6.774622072998189,
"formula_full": "Li8 Mn8 P8 H16 O40",
"formula_reduced": "LiMnPH2O5",
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"updated_at": "2021-11-28T01:36:44.795000Z",
"spacegroup": 29
},
{
"id": "mp-1197635",
"created_at": "2022-09-04T14:39:40.276633Z",
"structure_string": "Na4 Fe8 P8 H20 O44\n1.0\n9.758686 0.000000 0.000000\n0.000000 9.773743 0.000000\n0.000000 7.688355 9.572574\nNa Fe P H O\n4 8 8 20 44\ndirect\n0.295359 0.391767 0.518182 Na\n0.204641 0.391767 0.018182 Na\n0.704641 0.608233 0.481818 Na\n0.795359 0.608233 0.981818 Na\n0.451033 0.022259 0.109533 Fe\n0.048967 0.022259 0.609533 Fe\n0.548967 0.977741 0.890467 Fe\n0.951033 0.977741 0.390467 Fe\n0.231534 0.712076 0.097342 Fe\n0.268466 0.712076 0.597342 Fe\n0.768466 0.287924 0.902658 Fe\n0.731534 0.287924 0.402658 Fe\n0.179306 0.837047 0.290061 P\n0.320694 0.837047 0.790061 P\n0.820694 0.162953 0.709939 P\n0.679306 0.162953 0.209939 P\n0.034020 0.355867 0.290152 P\n0.465980 0.355867 0.790152 P\n0.965980 0.644133 0.709848 P\n0.534020 0.644133 0.209848 P\n0.297033 0.045558 0.928811 H\n0.202967 0.045558 0.428811 H\n0.702967 0.954442 0.071189 H\n0.797033 0.954442 0.571189 H\n0.022542 0.927981 0.891871 H\n0.477458 0.927981 0.391871 H\n0.977458 0.072019 0.108129 H\n0.522542 0.072019 0.608129 H\n0.974214 0.846755 0.049100 H\n0.525786 0.846755 0.549100 H\n0.025786 0.153245 0.950900 H\n0.474214 0.153245 0.450900 H\n0.085983 0.194244 0.768443 H\n0.414017 0.194244 0.268443 H\n0.914017 0.805756 0.231557 H\n0.585983 0.805756 0.731557 H\n0.141811 0.342879 0.772971 H\n0.358189 0.342879 0.272971 H\n0.858189 0.657121 0.227029 H\n0.641811 0.657121 0.727029 H\n0.275569 0.997705 0.199820 O\n0.224431 0.997705 0.699820 O\n0.724431 0.002295 0.800180 O\n0.775569 0.002295 0.300180 O\n0.165707 0.731964 0.236391 O\n0.334293 0.731964 0.736391 O\n0.834293 0.268036 0.763609 O\n0.665707 0.268036 0.263609 O\n0.226918 0.706571 0.443195 O\n0.273082 0.706571 0.943195 O\n0.773082 0.293429 0.556805 O\n0.726918 0.293429 0.056805 O\n0.032948 0.910715 0.280623 O\n0.467052 0.910715 0.780623 O\n0.967052 0.089285 0.719377 O\n0.532948 0.089285 0.219377 O\n0.132265 0.493310 0.174795 O\n0.367735 0.493310 0.674795 O\n0.867735 0.506690 0.825205 O\n0.632265 0.506690 0.325205 O\n0.093884 0.266898 0.438533 O\n0.406116 0.266898 0.938533 O\n0.906116 0.733102 0.561467 O\n0.593884 0.733102 0.061467 O\n0.014369 0.222468 0.261107 O\n0.485631 0.222468 0.761107 O\n0.985631 0.777532 0.738893 O\n0.514369 0.777532 0.238893 O\n0.892476 0.438763 0.277398 O\n0.607524 0.438763 0.777398 O\n0.107524 0.561237 0.722602 O\n0.392476 0.561237 0.222602 O\n0.357053 0.943819 0.996911 O\n0.142947 0.943819 0.496911 O\n0.642947 0.056181 0.003089 O\n0.857053 0.056181 0.503089 O\n0.048331 0.849048 0.991944 O\n0.451669 0.849048 0.491944 O\n0.951669 0.150952 0.008056 O\n0.548331 0.150952 0.508056 O\n0.144620 0.215158 0.821900 O\n0.355380 0.215158 0.321900 O\n0.855380 0.784842 0.178100 O\n0.644620 0.784842 0.678100 O\n",
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"elements": [
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"formula_full": "Na4 Fe8 P8 H20 O44",
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"updated_at": "2021-11-28T01:34:39.530000Z",
"spacegroup": 14
},
{
"id": "mp-1215118",
"created_at": "2022-09-04T14:47:59.535653Z",
"structure_string": "Ag64 Hg4 As16 S60\n1.0\n-13.213955 -7.654651 0.145078\n-13.213955 7.654651 0.145078\n0.039138 -0.000000 -15.957055\nAg Hg As S\n64 4 16 60\ndirect\n0.486563 0.949063 0.586012 Ag\n0.050937 0.513437 0.413988 Ag\n0.680782 0.982099 0.588615 Ag\n0.017901 0.319218 0.411385 Ag\n0.202987 0.951025 0.587536 Ag\n0.048975 0.797013 0.412464 Ag\n0.092720 0.645292 0.785494 Ag\n0.354708 0.907280 0.214506 Ag\n0.581951 0.649936 0.804001 Ag\n0.350064 0.418050 0.195999 Ag\n0.618943 0.016791 0.001661 Ag\n0.983209 0.381057 0.998339 Ag\n0.378741 0.150058 0.801663 Ag\n0.849942 0.621259 0.198337 Ag\n0.800992 0.791639 0.401628 Ag\n0.208361 0.199008 0.598372 Ag\n0.078972 0.153234 0.807328 Ag\n0.846766 0.921028 0.192672 Ag\n0.114393 0.754755 0.998950 Ag\n0.245245 0.885607 0.001050 Ag\n0.008281 0.991719 -0.000000 Ag\n0.649839 0.117349 0.205634 Ag\n0.882651 0.350161 0.794366 Ag\n0.182526 0.756685 0.586640 Ag\n0.243315 0.817474 0.413360 Ag\n0.477087 0.884708 0.000117 Ag\n0.115292 0.522913 0.999883 Ag\n0.338950 0.661050 -0.000000 Ag\n0.603331 0.248188 0.997764 Ag\n0.751812 0.396669 0.002236 Ag\n0.536803 0.021750 0.415420 Ag\n0.978250 0.463197 0.584580 Ag\n0.384971 0.648520 0.807319 Ag\n0.351480 0.615029 0.192681 Ag\n0.707422 0.793096 0.998799 Ag\n0.206904 0.292578 0.001201 Ag\n0.683068 0.261148 0.586373 Ag\n0.738852 0.316932 0.413627 Ag\n0.853728 0.115633 0.201181 Ag\n0.884367 0.146272 0.798819 Ag\n0.554724 0.292584 0.414536 Ag\n0.707416 0.445276 0.585464 Ag\n0.385783 0.342996 0.803306 Ag\n0.657004 0.614217 0.196694 Ag\n0.526826 0.828648 0.414743 Ag\n0.171352 0.473174 0.585257 Ag\n0.378674 0.856815 0.789788 Ag\n0.143185 0.621326 0.210212 Ag\n0.887046 0.841877 0.806853 Ag\n0.158123 0.112954 0.193147 Ag\n0.929853 0.975415 0.594839 Ag\n0.024585 0.070147 0.405161 Ag\n0.425964 0.476314 0.595350 Ag\n0.523686 0.574036 0.404650 Ag\n0.398676 0.103148 0.998525 Ag\n0.896852 0.601324 0.001475 Ag\n0.588938 0.146857 0.791715 Ag\n0.853143 0.411062 0.208285 Ag\n0.689972 0.713508 0.594052 Ag\n0.286492 0.310028 0.405948 Ag\n0.881121 0.650932 0.803061 Ag\n0.349068 0.118879 0.196939 Ag\n0.529004 0.470996 -0.000000 Ag\n0.815231 0.184769 -0.000000 Ag\n0.867644 0.883958 0.000633 Hg\n0.116042 0.132356 0.999367 Hg\n0.359200 0.386859 0.001292 Hg\n0.613141 0.640800 0.998708 Hg\n0.448595 0.710041 0.575625 As\n0.289959 0.551405 0.424375 As\n0.440416 0.224977 0.574107 As\n0.775023 0.559584 0.425893 As\n0.785476 0.044708 0.424945 As\n0.955292 0.214524 0.575055 As\n0.606966 0.891495 0.788239 As\n0.108505 0.393034 0.211761 As\n0.109407 0.392034 0.788308 As\n0.607966 0.890593 0.211692 As\n0.119508 0.879320 0.788856 As\n0.120680 0.880492 0.211144 As\n0.623512 0.377226 0.211192 As\n0.622774 0.376488 0.788808 As\n0.272600 0.065626 0.425095 As\n0.934374 0.727400 0.574905 As\n0.630127 0.115291 0.363279 S\n0.884709 0.369873 0.636721 S\n0.083394 0.916606 0.500000 S\n0.596408 0.161105 0.634815 S\n0.838895 0.403592 0.365185 S\n0.547225 0.298542 0.146701 S\n0.701458 0.452775 0.853299 S\n0.860219 0.872822 0.652450 S\n0.127178 0.139781 0.347550 S\n0.183063 0.472375 0.854373 S\n0.527625 0.816937 0.145627 S\n0.690032 0.739446 0.854323 S\n0.260554 0.309968 0.145677 S\n0.200789 0.951738 0.855466 S\n0.048262 0.799211 0.144534 S\n0.382833 0.868138 0.633086 S\n0.131862 0.617167 0.366914 S\n0.958251 0.461372 0.855677 S\n0.538628 0.041749 0.144323 S\n0.358042 0.654759 0.649424 S\n0.345241 0.641958 0.350576 S\n0.694927 0.225567 0.856814 S\n0.774433 0.305073 0.143186 S\n0.947650 0.224373 0.934650 S\n0.775627 0.052350 0.065350 S\n0.444830 0.727233 0.933544 S\n0.272767 0.555170 0.066456 S\n0.192118 0.240404 0.855826 S\n0.759596 0.807882 0.144174 S\n0.456141 0.961353 0.856191 S\n0.038647 0.543859 0.143809 S\n0.648936 0.862510 0.499374 S\n0.137490 0.351064 0.500626 S\n0.387751 0.129203 0.643741 S\n0.870797 0.612249 0.356259 S\n0.354642 0.372414 0.648534 S\n0.627586 0.645358 0.351466 S\n0.598280 0.629728 0.647061 S\n0.370272 0.401720 0.352939 S\n0.844116 0.137871 0.359121 S\n0.862129 0.155884 0.640879 S\n0.578610 0.421390 0.500000 S\n0.094345 0.654485 0.628853 S\n0.345515 0.905655 0.371147 S\n0.361420 0.126047 0.355890 S\n0.873953 0.638580 0.644110 S\n0.471352 0.457405 0.855856 S\n0.542595 0.528648 0.144144 S\n0.682120 0.970201 0.855158 S\n0.029799 0.317880 0.144842 S\n0.954251 0.715945 0.934552 S\n0.284055 0.045749 0.065448 S\n0.189595 0.728123 0.855891 S\n0.271877 0.810405 0.144109 S\n0.868390 0.898816 0.348484 S\n0.101184 0.131610 0.651516 S\n0.453066 0.220391 0.933778 S\n0.779609 0.546934 0.066222 S\n0.967000 0.961969 0.854644 S\n0.038031 0.033000 0.145356 S\n",
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{
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