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{
"id": "mp-774606",
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"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.255156 0.000000 0.000000\n0.000000 9.080285 0.000000\n0.000000 0.341330 10.439759\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.030453 0.240449 0.374291 Na\n0.469547 0.240449 0.874291 Na\n0.969547 0.759551 0.625709 Na\n0.530453 0.759551 0.125709 Na\n0.749878 0.342185 0.641389 Mn\n0.750122 0.342185 0.141389 Mn\n0.250122 0.657815 0.358611 Mn\n0.249878 0.657815 0.858611 Mn\n0.248800 0.432990 0.608627 P\n0.251200 0.432990 0.108627 P\n0.751200 0.567010 0.391373 P\n0.748800 0.567010 0.891373 P\n0.740248 0.077342 0.614795 C\n0.759752 0.077342 0.114795 C\n0.259752 0.922658 0.385205 C\n0.240248 0.922658 0.885205 C\n0.262443 0.056133 0.400126 O\n0.237557 0.056133 0.900126 O\n0.738836 0.142000 0.726193 O\n0.761164 0.142000 0.226193 O\n0.747002 0.178440 0.519954 O\n0.752998 0.178440 0.019954 O\n0.056341 0.328349 0.634323 O\n0.440918 0.333501 0.646917 O\n0.059082 0.333501 0.146917 O\n0.443659 0.328349 0.134323 O\n0.250794 0.475699 0.463117 O\n0.759732 0.425917 0.314364 O\n0.249206 0.475699 0.963117 O\n0.740268 0.425917 0.814364 O\n0.240268 0.574083 0.685636 O\n0.749206 0.524301 0.536883 O\n0.259732 0.574083 0.185636 O\n0.750794 0.524301 0.036883 O\n0.559082 0.666499 0.353083 O\n0.943659 0.671651 0.365677 O\n0.556341 0.671651 0.865677 O\n0.940918 0.666499 0.853083 O\n0.252998 0.821560 0.480046 O\n0.247002 0.821560 0.980046 O\n0.261164 0.858000 0.273807 O\n0.238836 0.858000 0.773807 O\n0.737557 0.943867 0.599874 O\n0.762443 0.943867 0.099874 O\n",
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},
{
"id": "mp-777065",
"created_at": "2022-09-04T14:45:18.274261Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n8.142494 0.000000 0.000000\n-1.429375 8.032264 0.000000\n-2.917559 -3.854381 9.157723\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.776278 0.734010 0.757277 Na\n0.480722 0.029356 0.756933 Na\n0.724908 0.753463 0.236444 Na\n0.223136 0.255658 0.237318 Na\n0.816583 0.066772 0.655873 Mn\n0.307724 0.558009 0.659396 Mn\n0.695108 0.431625 0.343138 Mn\n0.194549 0.932224 0.342880 Mn\n0.048306 0.795077 0.565326 P\n0.545910 0.297318 0.565583 P\n0.455749 0.699827 0.436043 P\n0.957068 0.201258 0.433254 P\n0.966439 0.224490 0.916911 C\n0.468098 0.725573 0.919847 C\n0.527839 0.281574 0.083352 C\n0.034244 0.775248 0.082537 C\n0.947439 0.697368 0.950925 O\n0.438862 0.205670 0.951858 O\n0.325903 0.585429 0.859921 O\n0.822045 0.080964 0.853505 O\n0.009538 0.268156 0.816143 O\n0.509740 0.767364 0.815023 O\n0.165238 0.722931 0.666849 O\n0.965135 0.907990 0.667402 O\n0.652758 0.210833 0.661094 O\n0.476638 0.419938 0.673188 O\n0.600039 0.846838 0.578012 O\n0.670734 0.420357 0.522391 O\n0.171697 0.919442 0.522192 O\n0.101651 0.348681 0.570426 O\n0.901810 0.649354 0.426295 O\n0.335395 0.571613 0.477924 O\n0.837070 0.073557 0.476732 O\n0.395546 0.155696 0.426928 O\n0.346408 0.780136 0.337547 O\n0.539812 0.588764 0.334185 O\n0.840517 0.274265 0.331962 O\n0.034308 0.083039 0.328708 O\n0.488133 0.236666 0.185922 O\n0.993349 0.731354 0.185268 O\n0.674891 0.418482 0.143723 O\n0.178885 0.915126 0.143667 O\n0.047667 0.302830 0.049276 O\n0.554040 0.807776 0.050826 O\n",
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"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
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{
"id": "mp-778731",
"created_at": "2022-09-04T14:42:05.961615Z",
"structure_string": "Li16 Mn8 F32\n1.0\n5.115121 0.000000 0.000000\n0.000000 10.242134 0.000000\n0.000000 0.000000 12.629801\nLi Mn F\n16 8 32\ndirect\n0.000000 0.000000 0.327643 Li\n0.000000 0.000000 0.688422 Li\n0.500000 0.000000 0.555197 Li\n0.000000 0.000000 0.968160 Li\n0.968793 0.296821 0.845559 Li\n0.006821 0.248643 0.191723 Li\n0.506821 0.251357 0.691723 Li\n0.468793 0.203179 0.345559 Li\n0.500000 0.500000 0.468160 Li\n0.000000 0.500000 0.055197 Li\n0.500000 0.500000 0.188422 Li\n0.500000 0.500000 0.827643 Li\n0.531207 0.796821 0.345559 Li\n0.493179 0.748643 0.691723 Li\n0.993179 0.751357 0.191723 Li\n0.031207 0.703179 0.845559 Li\n0.500000 0.000000 0.137853 Mn\n0.500000 0.000000 0.845622 Mn\n0.008874 0.225624 0.501118 Mn\n0.508874 0.274376 0.001118 Mn\n0.000000 0.500000 0.345622 Mn\n0.000000 0.500000 0.637853 Mn\n0.491126 0.725624 0.001118 Mn\n0.991126 0.774376 0.501118 Mn\n0.288141 0.104721 0.734030 F\n0.261933 0.112840 0.236430 F\n0.306438 0.093987 0.994497 F\n0.757265 0.156198 0.106267 F\n0.801400 0.131931 0.877276 F\n0.306579 0.105053 0.462292 F\n0.771635 0.127983 0.612013 F\n0.824344 0.161764 0.360064 F\n0.324344 0.338236 0.860064 F\n0.271635 0.372017 0.112013 F\n0.806579 0.394947 0.962292 F\n0.301400 0.368069 0.377276 F\n0.257265 0.343802 0.606267 F\n0.806438 0.406013 0.494497 F\n0.761933 0.387160 0.736430 F\n0.788141 0.395279 0.234030 F\n0.211859 0.604721 0.234030 F\n0.238067 0.612840 0.736430 F\n0.193562 0.593987 0.494497 F\n0.698600 0.631931 0.377276 F\n0.742735 0.656198 0.606267 F\n0.193421 0.605053 0.962292 F\n0.728365 0.627983 0.112013 F\n0.675656 0.661764 0.860064 F\n0.175656 0.838236 0.360064 F\n0.228365 0.872017 0.612013 F\n0.693421 0.894947 0.462292 F\n0.242735 0.843802 0.106267 F\n0.198600 0.868069 0.877276 F\n0.693562 0.906013 0.994497 F\n0.738067 0.887160 0.236430 F\n0.711859 0.895279 0.734030 F\n",
"nsites": 56,
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"elements": [
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"density": 2.9074063529306526,
"density_atomic": 0.08463405595257403,
"volume": 661.672176403556,
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"formula_full": "Li16 Mn8 F32",
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"updated_at": "2021-11-28T01:35:30.609000Z",
"spacegroup": 34
},
{
"id": "mp-770972",
"created_at": "2022-09-04T14:43:04.310957Z",
"structure_string": "Li8 Ni12 Bi4 O32\n1.0\n8.440779 0.000000 0.000000\n0.000000 8.440779 0.000000\n0.000000 0.000000 8.440779\nLi Ni Bi O\n8 12 4 32\ndirect\n0.999745 0.999745 0.999745 Li\n0.250255 0.250255 0.250255 Li\n0.249745 0.749745 0.750255 Li\n0.500255 0.000255 0.499745 Li\n0.499745 0.500255 0.000255 Li\n0.750255 0.249745 0.749745 Li\n0.749745 0.750255 0.249745 Li\n0.000255 0.499745 0.500255 Li\n0.115378 0.134622 0.625000 Ni\n0.125000 0.384622 0.865378 Ni\n0.134622 0.625000 0.115378 Ni\n0.365378 0.375000 0.615378 Ni\n0.375000 0.615378 0.365378 Ni\n0.384622 0.865378 0.125000 Ni\n0.615378 0.365378 0.375000 Ni\n0.625000 0.115378 0.134622 Ni\n0.634622 0.875000 0.884622 Ni\n0.865378 0.125000 0.384622 Ni\n0.875000 0.884622 0.634622 Ni\n0.884622 0.634622 0.875000 Ni\n0.125000 0.875000 0.375000 Bi\n0.375000 0.125000 0.875000 Bi\n0.625000 0.625000 0.625000 Bi\n0.875000 0.375000 0.125000 Bi\n0.094768 0.127319 0.382669 O\n0.117331 0.905232 0.627319 O\n0.114877 0.614877 0.885123 O\n0.122681 0.155232 0.867331 O\n0.127319 0.382669 0.094768 O\n0.135123 0.364877 0.635123 O\n0.132669 0.622681 0.344768 O\n0.155232 0.867331 0.122681 O\n0.344768 0.132669 0.622681 O\n0.367331 0.377319 0.844768 O\n0.364877 0.635123 0.135123 O\n0.372681 0.617331 0.594768 O\n0.377319 0.844768 0.367331 O\n0.385123 0.385123 0.385123 O\n0.382669 0.094768 0.127319 O\n0.405232 0.872681 0.882669 O\n0.594768 0.372681 0.617331 O\n0.617331 0.594768 0.372681 O\n0.614877 0.885123 0.114877 O\n0.622681 0.344768 0.132669 O\n0.627319 0.117331 0.905232 O\n0.635123 0.135123 0.364877 O\n0.632669 0.877319 0.655232 O\n0.655232 0.632669 0.877319 O\n0.844768 0.367331 0.377319 O\n0.867331 0.122681 0.155232 O\n0.864877 0.864877 0.864877 O\n0.872681 0.882669 0.405232 O\n0.877319 0.655232 0.632669 O\n0.885123 0.114877 0.614877 O\n0.882669 0.405232 0.872681 O\n0.905232 0.627319 0.117331 O\n",
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{
"id": "mp-774684",
"created_at": "2022-09-04T14:41:19.931419Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.248153 0.000000 0.000000\n0.000000 5.246204 0.000000\n0.000000 0.793345 18.346003\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.972047 0.758662 0.880657 Na\n0.472047 0.241338 0.619343 Na\n0.527953 0.758662 0.380657 Na\n0.027953 0.241338 0.119343 Na\n0.266693 0.216982 0.827672 Mn\n0.766693 0.783018 0.672328 Mn\n0.233307 0.216982 0.327672 Mn\n0.733307 0.783018 0.172328 Mn\n0.760196 0.277539 0.782576 P\n0.260196 0.722461 0.717424 P\n0.739804 0.277539 0.282576 P\n0.239804 0.722461 0.217424 P\n0.254577 0.274009 0.957869 C\n0.754577 0.725991 0.542131 C\n0.245423 0.274009 0.457869 C\n0.745423 0.725991 0.042131 C\n0.751966 0.693799 0.976409 O\n0.257906 0.050886 0.927157 O\n0.257611 0.461456 0.906603 O\n0.954064 0.208155 0.832699 O\n0.569660 0.214313 0.833812 O\n0.767642 0.567767 0.761652 O\n0.252905 0.874289 0.786959 O\n0.752905 0.125711 0.713041 O\n0.267642 0.432233 0.738348 O\n0.454064 0.791845 0.667301 O\n0.069660 0.785687 0.666188 O\n0.757611 0.538544 0.593397 O\n0.757906 0.949114 0.572843 O\n0.251966 0.306201 0.523591 O\n0.748034 0.693799 0.476409 O\n0.242094 0.050886 0.427157 O\n0.242389 0.461456 0.406603 O\n0.930340 0.214313 0.333812 O\n0.545936 0.208155 0.332699 O\n0.732358 0.567767 0.261652 O\n0.247095 0.874289 0.286959 O\n0.747095 0.125711 0.213041 O\n0.232358 0.432233 0.238348 O\n0.430340 0.785687 0.166188 O\n0.045936 0.791845 0.167301 O\n0.742389 0.538544 0.093397 O\n0.742094 0.949114 0.072843 O\n0.248034 0.306201 0.023591 O\n",
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{
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"structure_string": "P6 H24 N6 O19\n1.0\n5.172026 -7.810970 0.000000\n5.172026 7.810970 0.000000\n-6.624368 0.000000 6.624112\nP H N O\n6 24 6 19\ndirect\n0.121919 0.215533 0.868823 P\n0.868823 0.121919 0.215533 P\n0.215533 0.868823 0.121919 P\n0.878081 0.784467 0.131177 P\n0.131177 0.878081 0.784467 P\n0.784467 0.131177 0.878081 P\n0.872755 0.283328 0.643093 H\n0.643093 0.872755 0.283328 H\n0.283328 0.643093 0.872755 H\n0.127245 0.716672 0.356907 H\n0.356907 0.127245 0.716672 H\n0.716672 0.356907 0.127245 H\n0.229270 0.192390 0.619971 H\n0.619971 0.229270 0.192390 H\n0.192390 0.619971 0.229270 H\n0.770730 0.807610 0.380029 H\n0.380029 0.770730 0.807610 H\n0.807610 0.380029 0.770730 H\n0.217804 0.517336 0.637563 H\n0.637563 0.217804 0.517336 H\n0.517336 0.637563 0.217804 H\n0.782196 0.482664 0.362437 H\n0.362437 0.782196 0.482664 H\n0.482664 0.362437 0.782196 H\n0.148684 0.542742 0.354276 H\n0.354276 0.148684 0.542742 H\n0.542742 0.354276 0.148684 H\n0.851316 0.457258 0.645724 H\n0.645724 0.851316 0.457258 H\n0.457258 0.645724 0.851316 H\n0.333986 0.641996 0.791214 N\n0.791214 0.333986 0.641996 N\n0.641996 0.791214 0.333986 N\n0.666014 0.358004 0.208786 N\n0.208786 0.666014 0.358004 N\n0.358004 0.208786 0.666014 N\n0.345675 0.361821 0.041380 O\n0.041380 0.345675 0.361821 O\n0.361821 0.041380 0.345675 O\n0.654325 0.638179 0.958620 O\n0.958620 0.654325 0.638179 O\n0.638179 0.958620 0.654325 O\n0.043324 0.224239 0.701052 O\n0.701052 0.043324 0.224239 O\n0.224239 0.701052 0.043324 O\n0.956676 0.775761 0.298948 O\n0.298948 0.956676 0.775761 O\n0.775761 0.298948 0.956676 O\n0.031849 0.983293 0.762610 O\n0.762610 0.031849 0.983293 O\n0.983293 0.762610 0.031849 O\n0.968151 0.016707 0.237390 O\n0.237390 0.968151 0.016707 O\n0.016707 0.237390 0.968151 O\n0.500000 0.500000 0.500000 O\n",
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"formula_full": "P6 H24 N6 O19",
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{
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"spacegroup": 14
}
]
}