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{
"id": "mp-1042163",
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{
"id": "mp-759586",
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"structure_string": "Na8 Li8 Co4 O16\n1.0\n8.392007 0.000000 0.000000\n0.000000 6.496934 0.000000\n0.000000 6.436674 7.991075\nNa Li Co O\n8 8 4 16\ndirect\n0.978045 0.242842 0.501538 Na\n0.021955 0.757158 0.498462 Na\n0.738812 0.263960 0.248620 Na\n0.761188 0.263960 0.748620 Na\n0.521955 0.242842 0.001538 Na\n0.478045 0.757158 0.998462 Na\n0.238812 0.736040 0.251380 Na\n0.261188 0.736040 0.751380 Na\n0.910052 0.690068 0.789059 Li\n0.863208 0.761306 0.992802 Li\n0.636792 0.761306 0.492802 Li\n0.589948 0.690068 0.289059 Li\n0.410052 0.309932 0.710941 Li\n0.363208 0.238694 0.507198 Li\n0.136792 0.238694 0.007198 Li\n0.089948 0.309932 0.210941 Li\n0.872546 0.794280 0.223016 Co\n0.627454 0.794280 0.723016 Co\n0.372546 0.205720 0.276984 Co\n0.127454 0.205720 0.776984 Co\n0.971124 0.558237 0.209833 O\n0.006351 0.026342 0.205839 O\n0.783516 0.600188 0.429779 O\n0.782171 0.922747 0.566499 O\n0.717829 0.922747 0.066499 O\n0.716484 0.600188 0.929779 O\n0.493649 0.026342 0.705839 O\n0.528876 0.558237 0.709833 O\n0.471124 0.441763 0.290167 O\n0.506351 0.973658 0.294161 O\n0.283516 0.399812 0.070221 O\n0.282171 0.077253 0.933501 O\n0.217829 0.077253 0.433501 O\n0.216484 0.399812 0.570221 O\n0.993649 0.973658 0.794161 O\n0.028876 0.441763 0.790167 O\n",
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"formula_full": "Na8 Li8 Co4 O16",
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"spacegroup": 14
},
{
"id": "mp-1212361",
"created_at": "2022-09-04T14:43:17.864272Z",
"structure_string": "K4 H8 C16 N12 O16\n1.0\n14.738647 0.000000 0.000000\n0.000000 7.670060 0.000000\n0.000000 3.396537 10.533595\nK H C N O\n4 8 16 12 16\ndirect\n0.465918 0.826735 0.721985 K\n0.534082 0.173265 0.278015 K\n0.965918 0.673265 0.278015 K\n0.034082 0.326735 0.721985 K\n0.322082 0.018286 0.870693 H\n0.677918 0.981714 0.129307 H\n0.822082 0.481714 0.129307 H\n0.177918 0.518286 0.870693 H\n0.015324 0.828246 0.892103 H\n0.984676 0.171754 0.107897 H\n0.515324 0.671754 0.107897 H\n0.484676 0.328246 0.892103 H\n0.301228 0.250844 0.412512 C\n0.698772 0.749156 0.587488 C\n0.801228 0.249156 0.587488 C\n0.198772 0.750844 0.412512 C\n0.707760 0.204816 0.676296 C\n0.292240 0.795184 0.323704 C\n0.207760 0.295184 0.323704 C\n0.792240 0.704816 0.676296 C\n0.198103 0.207010 0.587924 C\n0.801897 0.792990 0.412076 C\n0.698103 0.292990 0.412076 C\n0.301897 0.707010 0.587924 C\n0.114470 0.304263 0.392444 C\n0.885530 0.695737 0.607556 C\n0.614470 0.195737 0.607556 C\n0.385530 0.804263 0.392444 C\n0.281915 0.205948 0.532299 N\n0.718085 0.794052 0.467701 N\n0.781915 0.294052 0.467701 N\n0.218085 0.705948 0.532299 N\n0.717743 0.178693 0.789674 N\n0.282257 0.821307 0.210326 N\n0.217743 0.321307 0.210326 N\n0.782257 0.678693 0.789674 N\n0.120343 0.258706 0.516762 N\n0.879657 0.741294 0.483238 N\n0.620343 0.241294 0.483238 N\n0.379657 0.758706 0.516762 N\n0.258621 0.842151 0.103247 O\n0.741379 0.157849 0.896753 O\n0.758621 0.657849 0.896753 O\n0.241379 0.342151 0.103247 O\n0.371813 0.265161 0.351374 O\n0.628187 0.734839 0.648626 O\n0.871813 0.234839 0.648626 O\n0.128187 0.765161 0.351374 O\n0.193014 0.164128 0.705791 O\n0.806986 0.835872 0.294209 O\n0.693014 0.335872 0.294209 O\n0.306986 0.664128 0.705791 O\n0.548034 0.145560 0.677795 O\n0.451966 0.854440 0.322205 O\n0.048034 0.354440 0.322205 O\n0.951966 0.645560 0.677795 O\n",
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"density_atomic": 0.047027840000938986,
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"formula_full": "K4 H8 C16 N12 O16",
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"spacegroup": 14
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{
"id": "mp-774171",
"created_at": "2022-09-04T14:43:17.867625Z",
"structure_string": "Li6 Mn4 Si4 O16\n1.0\n5.094227 0.000000 0.000000\n0.000000 6.689525 0.000000\n0.000000 0.152768 10.609282\nLi Mn Si O\n6 4 4 16\ndirect\n0.432499 0.884466 0.156692 Li\n0.931369 0.379710 0.341622 Li\n0.536773 0.629280 0.421274 Li\n0.567501 0.884466 0.656692 Li\n0.068631 0.379710 0.841622 Li\n0.463227 0.629280 0.921274 Li\n0.427322 0.370482 0.159787 Mn\n0.944122 0.888835 0.338568 Mn\n0.572678 0.370482 0.659787 Mn\n0.055878 0.888835 0.838568 Mn\n0.936987 0.632235 0.090696 Si\n0.429458 0.134777 0.411958 Si\n0.063013 0.632235 0.590696 Si\n0.570542 0.134777 0.911958 Si\n0.499196 0.128212 0.060563 O\n0.612250 0.629640 0.091427 O\n0.049912 0.830454 0.164119 O\n0.044037 0.434052 0.166251 O\n0.542041 0.927085 0.344862 O\n0.545576 0.342680 0.345099 O\n0.108750 0.137140 0.389053 O\n0.949834 0.634644 0.442803 O\n0.500804 0.128212 0.560563 O\n0.387750 0.629640 0.591427 O\n0.950088 0.830454 0.664119 O\n0.955963 0.434052 0.666251 O\n0.457959 0.927085 0.844862 O\n0.454424 0.342680 0.845099 O\n0.891250 0.137140 0.889053 O\n0.050166 0.634644 0.942803 O\n",
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"formula_full": "Li6 Mn4 Si4 O16",
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{
"id": "mp-768431",
"created_at": "2022-09-04T14:43:17.864802Z",
"structure_string": "Li24 Ti5 Cr7 O36\n1.0\n5.052173 0.000000 0.000000\n0.794583 9.748667 0.000000\n2.517624 1.913206 13.033599\nLi Ti Cr O\n24 5 7 36\ndirect\n0.664803 0.000935 0.167234 Li\n0.566200 0.001905 0.385836 Li\n0.247237 0.749191 0.750794 Li\n0.585081 0.750521 0.082913 Li\n0.065346 0.498813 0.888063 Li\n0.406551 0.500511 0.221219 Li\n0.166032 0.500516 0.667497 Li\n0.500460 0.501194 0.000329 Li\n0.267435 0.502772 0.444216 Li\n0.083831 0.250256 0.583540 Li\n0.990816 0.996967 0.500015 Li\n0.771562 0.998358 0.948871 Li\n0.104406 0.996767 0.281889 Li\n0.898047 0.998005 0.719242 Li\n0.226102 0.001942 0.050913 Li\n0.918065 0.749999 0.417502 Li\n0.738009 0.498549 0.555817 Li\n0.823579 0.498819 0.334295 Li\n0.598796 0.501291 0.777222 Li\n0.931259 0.498612 0.112298 Li\n0.416374 0.250396 0.915464 Li\n0.342376 0.001823 0.832771 Li\n0.747913 0.249962 0.250099 Li\n0.434576 0.001782 0.612613 Li\n0.356080 0.757585 0.526171 Ti\n0.974973 0.247270 0.806760 Ti\n0.197243 0.246862 0.361683 Ti\n0.300074 0.254789 0.138822 Ti\n0.035709 0.744869 0.191682 Ti\n0.856781 0.249056 0.026836 Cr\n0.478758 0.750785 0.305823 Cr\n0.695911 0.747121 0.864815 Cr\n0.796167 0.748295 0.641942 Cr\n0.526442 0.253058 0.692638 Cr\n0.642989 0.249007 0.474660 Cr\n0.140587 0.751851 0.967971 Cr\n0.932450 0.861696 0.068741 O\n0.718266 0.633199 0.213280 O\n0.424320 0.362031 0.575970 O\n0.500856 0.361911 0.359417 O\n0.615093 0.366533 0.119228 O\n0.255845 0.865549 0.405288 O\n0.224816 0.134434 0.713639 O\n0.335275 0.138723 0.478636 O\n0.556540 0.135422 0.046708 O\n0.008169 0.862391 0.858375 O\n0.115035 0.864161 0.620798 O\n0.337322 0.861932 0.190521 O\n0.403354 0.136255 0.261964 O\n0.825492 0.637841 0.974515 O\n0.044753 0.635522 0.550957 O\n0.170959 0.638342 0.310563 O\n0.901582 0.637008 0.766227 O\n0.240758 0.636981 0.092511 O\n0.760833 0.361278 0.907809 O\n0.094603 0.365153 0.237867 O\n0.830810 0.361142 0.689262 O\n0.942132 0.365365 0.453399 O\n0.163113 0.362055 0.021529 O\n0.599536 0.859595 0.736832 O\n0.665584 0.137527 0.807776 O\n0.883323 0.133742 0.380929 O\n0.996292 0.138429 0.141560 O\n0.462219 0.865107 0.947444 O\n0.664563 0.864027 0.522895 O\n0.777705 0.864613 0.285100 O\n0.742453 0.138986 0.591944 O\n0.370856 0.635807 0.883951 O\n0.507512 0.636639 0.644666 O\n0.571072 0.638496 0.425600 O\n0.282093 0.367125 0.786114 O\n0.077848 0.134547 0.927532 O\n",
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"formula_full": "Li24 Ti5 Cr7 O36",
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{
"id": "mp-586092",
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"structure_string": "Li12 Fe20 O32\n1.0\n6.017133 -6.088902 0.000000\n6.017133 6.088902 0.000000\n0.000000 0.000000 8.322086\nLi Fe O\n12 20 32\ndirect\n0.870863 0.632414 0.750000 Li\n0.871445 0.871445 0.500000 Li\n0.871445 0.871445 0.000000 Li\n0.128555 0.128555 0.500000 Li\n0.129137 0.367586 0.250000 Li\n0.128555 0.128555 0.000000 Li\n0.367586 0.129137 0.750000 Li\n0.379157 0.620843 0.250000 Li\n0.379067 0.620933 0.750000 Li\n0.620843 0.379157 0.750000 Li\n0.620933 0.379067 0.250000 Li\n0.632414 0.870863 0.250000 Li\n0.879761 0.120239 0.750000 Fe\n0.869568 0.631753 0.250000 Fe\n0.877848 0.122152 0.250000 Fe\n0.875823 0.377214 0.500324 Fe\n0.875823 0.377214 0.999676 Fe\n0.130432 0.368247 0.750000 Fe\n0.124177 0.622786 0.499676 Fe\n0.124177 0.622786 0.000324 Fe\n0.120239 0.879761 0.250000 Fe\n0.122152 0.877848 0.750000 Fe\n0.368247 0.130432 0.250000 Fe\n0.381540 0.381540 0.500000 Fe\n0.377214 0.875823 0.499676 Fe\n0.381540 0.381540 0.000000 Fe\n0.377214 0.875823 0.000324 Fe\n0.622786 0.124177 0.500324 Fe\n0.618460 0.618460 0.500000 Fe\n0.618460 0.618460 0.000000 Fe\n0.631753 0.869568 0.750000 Fe\n0.622786 0.124177 0.999676 Fe\n0.876071 0.363735 0.750000 O\n0.874487 0.887605 0.750000 O\n0.887605 0.874487 0.250000 O\n0.862324 0.137676 0.505545 O\n0.874784 0.377232 0.250000 O\n0.862324 0.137676 0.994455 O\n0.879019 0.613533 0.505844 O\n0.879019 0.613533 0.994156 O\n0.125216 0.622768 0.750000 O\n0.123929 0.636265 0.250000 O\n0.137676 0.862324 0.494455 O\n0.120981 0.386467 0.494156 O\n0.112395 0.125513 0.750000 O\n0.137676 0.862324 0.005545 O\n0.120981 0.386467 0.005844 O\n0.125513 0.112395 0.250000 O\n0.369988 0.630012 0.500410 O\n0.374667 0.377044 0.250000 O\n0.386467 0.120981 0.505844 O\n0.377044 0.374667 0.750000 O\n0.369988 0.630012 0.999590 O\n0.386467 0.120981 0.994156 O\n0.363735 0.876071 0.250000 O\n0.377232 0.874784 0.750000 O\n0.622768 0.125216 0.250000 O\n0.636265 0.123929 0.750000 O\n0.630012 0.369988 0.499590 O\n0.622956 0.625333 0.250000 O\n0.625333 0.622956 0.750000 O\n0.630012 0.369988 0.000410 O\n0.613533 0.879019 0.494156 O\n0.613533 0.879019 0.005844 O\n",
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{
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"structure_string": "Mo3 W1 Se2 S6\n1.0\n1.611137 -2.790572 0.000000\n1.611137 2.790572 0.000000\n0.000000 0.000000 36.303036\nMo W Se S\n3 1 2 6\ndirect\n0.000000 0.000000 0.093932 Mo\n0.333333 0.666667 0.281804 Mo\n0.333333 0.666667 0.657543 Mo\n0.000000 0.000000 0.469656 W\n0.333333 0.666667 0.422288 Se\n0.333333 0.666667 0.517033 Se\n0.000000 0.000000 0.324604 S\n0.000000 0.000000 0.700376 S\n0.333333 0.666667 0.051082 S\n0.333333 0.666667 0.136756 S\n0.000000 0.000000 0.238965 S\n0.000000 0.000000 0.614708 S\n",
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