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{
"id": "mp-1100731",
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.919512 0.000000 0.000000\n0.000000 8.371633 -0.023381\n0.000000 0.094595 11.915442\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.252958 0.132544 Li\n0.500000 0.750000 0.375000 Li\n0.500000 0.247042 0.617456 Li\n0.000000 0.502759 0.009198 Li\n0.000000 0.011443 0.263001 Li\n0.000000 0.488557 0.486999 Li\n0.500000 0.750000 0.875000 Li\n0.000000 0.997241 0.740802 Li\n0.500000 0.250000 0.375000 Li\n0.000000 0.998209 0.999552 Mn\n0.000000 0.501791 0.750448 Mn\n0.000000 0.473772 0.254897 Co\n0.000000 0.026228 0.495103 Co\n0.500000 0.250000 0.875000 Co\n0.500000 0.742784 0.132296 Co\n0.500000 0.757216 0.617704 Co\n0.500000 0.001160 0.107416 O\n0.500000 0.503029 0.363848 O\n0.500000 0.992911 0.620704 O\n0.000000 0.230566 0.989900 O\n0.000000 0.752259 0.238250 O\n0.000000 0.239762 0.503671 O\n0.500000 0.507270 0.861593 O\n0.000000 0.734735 0.741082 O\n0.500000 0.507089 0.129296 O\n0.500000 0.996971 0.386152 O\n0.500000 0.498840 0.642584 O\n0.000000 0.765265 0.008918 O\n0.000000 0.260238 0.246329 O\n0.000000 0.747741 0.511750 O\n0.500000 0.992730 0.888407 O\n0.000000 0.269434 0.760100 O\n",
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{
"id": "mp-706662",
"created_at": "2022-09-04T14:39:38.155837Z",
"structure_string": "Al8 B24 H112 N8\n1.0\n11.405622 0.000000 0.000000\n0.000000 11.275987 0.000000\n0.000000 8.895325 11.857912\nAl B H N\n8 24 112 8\ndirect\n0.936982 0.144994 0.617707 Al\n0.563018 0.144994 0.117707 Al\n0.063018 0.855006 0.382293 Al\n0.436982 0.855006 0.882293 Al\n0.667917 0.683517 0.583107 Al\n0.832083 0.683517 0.083107 Al\n0.332083 0.316483 0.416893 Al\n0.167917 0.316483 0.916893 Al\n0.063018 0.216660 0.687727 B\n0.436982 0.216660 0.187727 B\n0.936982 0.783340 0.312273 B\n0.563018 0.783340 0.812273 B\n0.922926 0.308602 0.433802 B\n0.577074 0.308602 0.933802 B\n0.077074 0.691398 0.566198 B\n0.422926 0.691398 0.066198 B\n0.944276 0.897767 0.734255 B\n0.555724 0.897767 0.234255 B\n0.055724 0.102233 0.265745 B\n0.444276 0.102233 0.765745 B\n0.474587 0.705314 0.570176 B\n0.025413 0.705314 0.070176 B\n0.525413 0.294686 0.429824 B\n0.974587 0.294686 0.929824 B\n0.740134 0.916642 0.478134 B\n0.759866 0.916642 0.978134 B\n0.259866 0.083358 0.521866 B\n0.240134 0.083358 0.021866 B\n0.709545 0.484102 0.591417 B\n0.790455 0.484102 0.091417 B\n0.290455 0.515898 0.408583 B\n0.209545 0.515898 0.908583 B\n0.858082 0.820403 0.773981 H\n0.641918 0.820403 0.273981 H\n0.141918 0.179597 0.226019 H\n0.358082 0.179597 0.726019 H\n0.953477 0.227273 0.692034 H\n0.546523 0.227273 0.192034 H\n0.046523 0.772727 0.307966 H\n0.453477 0.772727 0.807966 H\n0.590167 0.835039 0.865131 H\n0.909833 0.835039 0.365131 H\n0.409833 0.164961 0.134869 H\n0.090167 0.164961 0.634869 H\n0.594015 0.874115 0.715643 H\n0.905985 0.874115 0.215643 H\n0.405985 0.125885 0.284357 H\n0.094015 0.125885 0.784357 H\n0.602299 0.659567 0.866755 H\n0.897701 0.659567 0.366755 H\n0.397701 0.340433 0.133245 H\n0.102299 0.340433 0.633245 H\n0.538408 0.164794 0.743426 H\n0.961592 0.164794 0.243426 H\n0.461592 0.835206 0.256574 H\n0.038408 0.835206 0.756574 H\n0.936072 0.973582 0.629276 H\n0.563928 0.973582 0.129276 H\n0.063928 0.026418 0.370724 H\n0.436072 0.026418 0.870724 H\n0.947546 0.974614 0.768588 H\n0.552454 0.974614 0.268588 H\n0.052454 0.025386 0.231412 H\n0.447546 0.025386 0.731412 H\n0.671646 0.453604 0.531684 H\n0.828354 0.453604 0.031684 H\n0.328354 0.546396 0.468316 H\n0.171646 0.546396 0.968316 H\n0.673352 0.316740 0.896988 H\n0.826648 0.316740 0.396988 H\n0.326648 0.683260 0.103012 H\n0.173352 0.683260 0.603012 H\n0.501093 0.383587 0.866095 H\n0.998907 0.383587 0.366095 H\n0.498907 0.616413 0.133905 H\n0.001093 0.616413 0.633905 H\n0.666660 0.876194 0.553462 H\n0.833340 0.876194 0.053462 H\n0.333340 0.123806 0.446538 H\n0.166660 0.123806 0.946538 H\n0.921742 0.181836 0.965759 H\n0.578258 0.181836 0.465759 H\n0.078258 0.818164 0.034241 H\n0.421742 0.818164 0.534241 H\n0.919821 0.404687 0.898366 H\n0.580179 0.404687 0.398366 H\n0.080179 0.595313 0.101634 H\n0.419821 0.595313 0.601634 H\n0.786234 0.407941 0.658049 H\n0.713766 0.407941 0.158049 H\n0.213766 0.592059 0.341951 H\n0.286234 0.592059 0.841951 H\n0.804676 0.004951 0.887324 H\n0.695324 0.004951 0.387324 H\n0.195324 0.995049 0.112676 H\n0.304676 0.995049 0.612676 H\n0.541515 0.730414 0.492436 H\n0.958485 0.730414 0.992436 H\n0.458485 0.269586 0.507564 H\n0.041515 0.269586 0.007564 H\n0.533185 0.676284 0.653685 H\n0.966815 0.676284 0.153685 H\n0.466815 0.323716 0.346315 H\n0.033185 0.323716 0.846315 H\n0.690734 0.062245 0.676469 H\n0.809266 0.062245 0.176469 H\n0.309266 0.937755 0.323531 H\n0.190734 0.937755 0.823531 H\n0.752891 0.520419 0.786164 H\n0.747109 0.520419 0.286164 H\n0.247109 0.479581 0.213836 H\n0.252891 0.479581 0.713836 H\n0.855850 0.621062 0.693631 H\n0.644150 0.621062 0.193631 H\n0.144150 0.378938 0.306369 H\n0.355850 0.378938 0.806369 H\n0.765707 0.698300 0.731838 H\n0.734293 0.698300 0.231838 H\n0.234293 0.301700 0.268162 H\n0.265707 0.301700 0.768162 H\n0.752514 0.610632 0.522149 H\n0.747486 0.610632 0.022149 H\n0.247486 0.389368 0.477851 H\n0.252514 0.389368 0.977851 H\n0.726239 0.810964 0.978053 H\n0.773761 0.810964 0.478053 H\n0.273761 0.189036 0.021947 H\n0.226239 0.189036 0.521947 H\n0.624972 0.487890 0.643088 H\n0.875028 0.487890 0.143088 H\n0.375028 0.512110 0.356912 H\n0.124972 0.512110 0.856912 H\n0.827684 0.956427 0.499144 H\n0.672316 0.956427 0.999144 H\n0.172316 0.043573 0.500856 H\n0.327684 0.043573 0.000856 H\n0.918886 0.344292 0.499080 H\n0.581114 0.344292 0.999080 H\n0.081114 0.655708 0.500920 H\n0.418886 0.655708 0.000920 H\n0.544349 0.177889 0.981040 H\n0.955651 0.177889 0.481040 H\n0.455651 0.822111 0.018960 H\n0.044349 0.822111 0.518960 H\n0.769376 0.118220 0.648895 N\n0.730624 0.118220 0.148895 N\n0.230624 0.881780 0.351105 N\n0.269376 0.881780 0.851105 N\n0.769797 0.623852 0.713061 N\n0.730203 0.623852 0.213061 N\n0.230203 0.376148 0.286939 N\n0.269797 0.376148 0.786939 N\n",
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"elements": [
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"B",
"H",
"N"
],
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"volume": 1525.0418574915273,
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"formula_full": "Al8 B24 H112 N8",
"formula_reduced": "AlB3H14N",
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},
{
"id": "mp-1641121",
"created_at": "2022-09-04T14:39:38.246695Z",
"structure_string": "Li4 Ti2 Fe4 O10\n1.0\n4.436190 -2.593084 -0.072286\n1.448286 -0.824708 4.858435\n-1.594812 -7.820801 -0.007175\nLi Ti Fe O\n4 2 4 10\ndirect\n0.199324 0.000171 0.601525 Li\n0.006414 0.998502 0.994634 Li\n0.700888 0.500191 0.598424 Li\n0.901028 0.498547 0.205409 Li\n0.091589 0.500585 0.807051 Ti\n0.798581 0.000606 0.392984 Ti\n0.602822 0.003451 0.793680 Fe\n0.406220 0.996196 0.192466 Fe\n0.296513 0.503496 0.406322 Fe\n0.498701 0.496155 0.007542 Fe\n0.045601 0.228179 0.394223 O\n0.339861 0.728149 0.805775 O\n0.452318 0.249355 0.598176 O\n0.119990 0.764407 0.215575 O\n0.235632 0.264394 0.984412 O\n0.865296 0.265045 0.798629 O\n0.656974 0.244122 0.210920 O\n0.563924 0.765018 0.401346 O\n0.950453 0.749346 0.601807 O\n0.767872 0.744085 0.989093 O\n",
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{
"id": "mp-1202786",
"created_at": "2022-09-04T14:39:38.842549Z",
"structure_string": "Cs4 La2 N10 O34\n1.0\n4.574587 9.430161 0.000000\n-4.574587 9.430161 0.000000\n0.000000 4.039758 10.013306\nCs La N O\n4 2 10 34\ndirect\n0.916385 0.575887 0.206956 Cs\n0.424113 0.083615 0.293044 Cs\n0.083615 0.424113 0.793044 Cs\n0.575887 0.916385 0.706956 Cs\n0.240443 0.759557 0.250000 La\n0.759557 0.240443 0.750000 La\n0.203359 0.470699 0.428587 N\n0.529301 0.796641 0.071413 N\n0.796641 0.529301 0.571413 N\n0.470699 0.203359 0.928587 N\n0.925599 0.862162 0.857928 N\n0.137838 0.074401 0.642072 N\n0.074401 0.137838 0.142072 N\n0.862162 0.925599 0.357928 N\n0.415090 0.584910 0.750000 N\n0.584910 0.415090 0.250000 N\n0.165021 0.585798 0.479150 O\n0.414202 0.834979 0.020850 O\n0.834979 0.414202 0.520850 O\n0.585798 0.165021 0.979150 O\n0.210534 0.345237 0.500440 O\n0.654763 0.789466 0.999560 O\n0.789466 0.654763 0.499560 O\n0.345237 0.210534 0.000440 O\n0.235552 0.484926 0.300801 O\n0.515074 0.764448 0.199199 O\n0.764448 0.515074 0.699199 O\n0.484926 0.235552 0.800801 O\n0.945775 0.944985 0.402595 O\n0.055015 0.054225 0.097405 O\n0.054225 0.055015 0.597405 O\n0.944985 0.945775 0.902595 O\n0.937703 0.838402 0.265250 O\n0.161598 0.062297 0.234750 O\n0.062297 0.161598 0.734750 O\n0.838402 0.937703 0.765250 O\n0.987274 0.712715 0.902167 O\n0.287285 0.012726 0.597833 O\n0.012726 0.287285 0.097833 O\n0.712715 0.987274 0.402167 O\n0.479210 0.502544 0.856299 O\n0.497456 0.520790 0.643701 O\n0.520790 0.497456 0.143701 O\n0.502544 0.479210 0.356299 O\n0.280098 0.719902 0.750000 O\n0.719902 0.280098 0.250000 O\n0.205066 0.702661 0.051159 O\n0.297339 0.794934 0.448841 O\n0.794934 0.297339 0.948841 O\n0.702661 0.205066 0.551159 O\n",
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{
"id": "mp-1302582",
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"structure_string": "Li6 Mn2 Co4 O12\n1.0\n4.807764 0.218113 -1.390105\n-0.591540 9.075035 -0.322825\n-0.024895 0.148999 5.059431\nLi Mn Co O\n6 2 4 12\ndirect\n0.999954 0.166599 0.500264 Li\n0.499600 0.666539 0.499974 Li\n0.497550 0.334421 0.498951 Li\n0.997612 0.834427 0.498819 Li\n0.002255 0.498862 0.501071 Li\n0.502172 0.998856 0.501210 Li\n0.999943 0.666574 0.999753 Mn\n0.500120 0.166578 0.999801 Mn\n0.000194 0.001429 0.002720 Co\n0.000286 0.332103 0.997580 Co\n0.499895 0.501338 0.002696 Co\n0.500014 0.832018 0.997532 Co\n0.255453 0.500908 0.229907 O\n0.755756 0.000721 0.230123 O\n0.244522 0.332482 0.769946 O\n0.744216 0.832689 0.769684 O\n0.751741 0.331726 0.226259 O\n0.251527 0.831781 0.226124 O\n0.248512 0.001565 0.773864 O\n0.748333 0.501630 0.773826 O\n0.251470 0.167842 0.228740 O\n0.751036 0.667956 0.228688 O\n0.749116 0.165424 0.771280 O\n0.248720 0.665531 0.771190 O\n",
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"formula_full": "Li6 Mn2 Co4 O12",
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{
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"structure_string": "Ca1 Dy1 Fe4 O12\n1.0\n0.000000 -3.756142 -3.796208\n0.000000 -3.756142 3.796208\n-7.597561 0.000000 0.000000\nCa Dy Fe O\n1 1 4 12\ndirect\n0.519507 0.480493 0.500000 Ca\n0.976668 0.023332 0.000000 Dy\n0.494636 0.995214 0.251209 Fe\n0.494636 0.995214 0.748791 Fe\n0.004786 0.505364 0.748791 Fe\n0.004786 0.505364 0.251209 Fe\n0.280104 0.279160 0.251454 O\n0.720840 0.719896 0.251454 O\n0.720840 0.719896 0.748546 O\n0.280104 0.279160 0.748546 O\n0.207302 0.792698 0.204273 O\n0.780356 0.219644 0.268181 O\n0.780356 0.219644 0.731819 O\n0.207302 0.792698 0.795727 O\n0.546369 0.019753 0.000000 O\n0.469349 0.962284 0.500000 O\n0.980247 0.453631 0.000000 O\n0.037716 0.530651 0.500000 O\n",
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{
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{
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{
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{
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{
"id": "mp-755076",
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"structure_string": "Li10 Co6 Ni4 O20\n1.0\n5.145093 0.262199 -0.000627\n2.360866 2.526376 6.812258\n1.945854 -9.994701 0.289165\nLi Co Ni O\n10 6 4 20\ndirect\n0.000093 0.499236 0.500334 Li\n0.999908 0.500764 0.999663 Li\n0.795517 0.410410 0.251931 Li\n0.795177 0.410583 0.751346 Li\n0.204827 0.589427 0.748642 Li\n0.204464 0.589604 0.248074 Li\n0.604186 0.790041 0.746237 Li\n0.601942 0.791485 0.246847 Li\n0.398040 0.208529 0.253154 Li\n0.395812 0.209964 0.753764 Li\n0.000003 0.000004 0.249998 Co\n0.804232 0.884152 0.493440 Co\n0.195767 0.115837 0.006557 Co\n0.000012 0.000000 0.749999 Co\n0.801225 0.884589 0.994383 Co\n0.198795 0.115402 0.505603 Co\n0.406746 0.694881 0.499207 Ni\n0.402516 0.695375 0.998853 Ni\n0.597455 0.304646 0.501175 Ni\n0.593239 0.305164 0.000817 Ni\n0.196567 0.856220 0.886569 O\n0.198917 0.856326 0.388170 O\n0.801073 0.143682 0.111826 O\n0.803436 0.143778 0.613432 O\n0.397080 0.938598 0.615766 O\n0.397514 0.938908 0.116294 O\n0.602498 0.061066 0.383693 O\n0.602929 0.061394 0.884227 O\n0.589713 0.544556 0.612984 O\n0.587450 0.543653 0.111253 O\n0.412554 0.456324 0.388758 O\n0.410308 0.455397 0.887009 O\n0.006832 0.224649 0.368963 O\n0.006884 0.223739 0.867444 O\n0.993132 0.776273 0.632556 O\n0.993177 0.775342 0.131029 O\n0.795974 0.663313 0.381815 O\n0.799347 0.663552 0.880229 O\n0.200654 0.336444 0.619768 O\n0.204009 0.336693 0.118193 O\n",
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{
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"structure_string": "Zn1 Fe4 Co1 O8\n1.0\n5.241816 -3.026862 0.000000\n5.241816 3.026862 0.000000\n3.493968 0.000000 4.942744\nZn Fe Co O\n1 4 1 8\ndirect\n0.001156 0.001156 0.001156 Zn\n0.622867 0.622867 0.622867 Fe\n0.494337 0.001618 0.001618 Fe\n0.001618 0.001618 0.494337 Fe\n0.001618 0.494337 0.001618 Fe\n0.376906 0.376906 0.376906 Co\n0.230936 0.751396 0.751396 O\n0.751396 0.751396 0.230936 O\n0.751396 0.230936 0.751396 O\n0.756357 0.756357 0.756357 O\n0.778532 0.246097 0.246097 O\n0.246097 0.246097 0.778532 O\n0.246097 0.778532 0.246097 O\n0.240687 0.240687 0.240687 O\n",
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]
}