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{
"id": "oqmd-824435",
"created_at": "2022-09-04T15:22:18.234013Z",
"updated_at": "2022-09-04T15:22:18.234042Z",
"structure_string": "Li6 Ge4 O11\n1.0\n-4.954768 -8.733567 -0.167299\n-2.475761 4.365704 -0.059402\n1.546055 -0.012793 -4.731291\nGe Li O\n4 6 11\ndirect\n0.420930 0.175282 0.000329 Ge\n0.573524 0.837562 0.003132 Ge\n0.089536 0.789905 0.980508 Ge\n0.894233 0.147751 0.983928 Ge\n0.649240 0.648927 0.483283 Li\n0.818211 0.312152 0.483352 Li\n0.191458 0.715312 0.511659 Li\n0.352919 0.362709 0.513748 Li\n0.250894 0.482230 0.958713 Li\n0.741141 0.503733 0.998456 Li\n0.605883 0.221409 0.214044 O\n0.451333 0.555702 0.218057 O\n0.770621 0.922131 0.221677 O\n0.277327 0.946594 0.232675 O\n0.982638 0.532745 0.236337 O\n0.715867 0.075033 0.765909 O\n0.038388 0.409794 0.771909 O\n0.537996 0.454153 0.778911 O\n0.218156 0.072525 0.780359 O\n0.388479 0.791477 0.782360 O\n0.920145 0.820711 0.861845 O\n",
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{
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"structure_string": "Li6 Tc4 O11\n1.0\n-5.091308 -8.584590 -0.260059\n-2.454959 4.236370 -0.062594\n1.523145 -0.020752 -4.829768\nLi O Tc\n6 11 4\ndirect\n0.166236 0.669683 0.500113 Li\n0.835552 0.329177 0.500327 Li\n0.686531 0.667595 0.509944 Li\n0.320428 0.315535 0.511660 Li\n0.234983 0.499056 0.971091 Li\n0.750033 0.492461 0.998179 Li\n0.280851 0.938803 0.222619 O\n0.955871 0.557865 0.223091 O\n0.774648 0.908177 0.225048 O\n0.620001 0.246600 0.260002 O\n0.130427 0.267318 0.260671 O\n0.375684 0.747472 0.739019 O\n0.876618 0.740540 0.744819 O\n0.544488 0.445228 0.764979 O\n0.721950 0.063808 0.779405 O\n0.040985 0.443282 0.780167 O\n0.224328 0.097158 0.787189 O\n0.569807 0.853848 0.003816 Tc\n0.928328 0.137030 0.004620 Tc\n0.070872 0.863473 0.005692 Tc\n0.431321 0.155479 0.989552 Tc\n",
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{
"id": "oqmd-824440",
"created_at": "2022-09-04T15:22:18.132319Z",
"updated_at": "2022-09-04T15:22:18.132341Z",
"structure_string": "Li6 Mn4 O11\n1.0\n-4.911052 -8.718964 -0.094345\n-2.432983 4.346388 0.001954\n1.616381 -0.022140 -4.672027\nLi Mn O\n6 4 11\ndirect\n0.754808 0.516888 0.009918 Li\n0.163657 0.648237 0.493156 Li\n0.839085 0.354191 0.499338 Li\n0.697428 0.660975 0.512879 Li\n0.306073 0.302201 0.515957 Li\n0.227743 0.480021 0.970379 Li\n0.923444 0.170787 0.005043 Mn\n0.081167 0.838823 0.006576 Mn\n0.593520 0.862928 0.980516 Mn\n0.411578 0.132458 0.982626 Mn\n0.608909 0.225410 0.215693 O\n0.773953 0.928614 0.222748 O\n0.117935 0.239435 0.225904 O\n0.287685 0.943753 0.228349 O\n0.964579 0.567972 0.228397 O\n0.721771 0.068279 0.762300 O\n0.035360 0.438753 0.777183 O\n0.384654 0.758077 0.780445 O\n0.529619 0.441736 0.783011 O\n0.890329 0.775904 0.785963 O\n0.222593 0.081325 0.788923 O\n",
"nsites": 21,
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],
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"formula_full": "Li6 Mn4 O11",
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"spacegroup": 1
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{
"id": "oqmd-824462",
"created_at": "2022-09-04T15:22:18.124467Z",
"updated_at": "2022-09-04T15:22:18.124492Z",
"structure_string": "Li6 Sn4 O11\n1.0\n-5.443080 -8.992302 0.553609\n-2.913850 4.600489 -0.043224\n2.131660 0.133575 -4.816511\nLi O Sn\n6 11 4\ndirect\n0.336659 0.424317 0.380378 Li\n0.504833 0.041619 0.462522 Li\n0.674354 0.670055 0.491596 Li\n0.960590 0.915192 0.497298 Li\n0.825271 0.328186 0.527386 Li\n0.167336 0.537865 0.635032 Li\n0.291024 0.010800 0.117389 O\n0.466579 0.603393 0.177000 O\n0.614334 0.234708 0.233477 O\n0.791754 0.946422 0.257498 O\n0.004303 0.577245 0.340419 O\n0.112313 0.171287 0.345672 O\n0.384091 0.825406 0.677312 O\n0.503264 0.429880 0.688704 O\n0.709302 0.047574 0.753587 O\n0.903327 0.783662 0.785713 O\n0.032014 0.399314 0.835863 O\n0.921926 0.154824 0.048179 Sn\n0.076440 0.789120 0.085074 Sn\n0.432255 0.215389 0.943156 Sn\n0.580551 0.848685 0.967257 Sn\n",
"nsites": 21,
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"elements": [
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"volume": 241.96528286861604,
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{
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"created_at": "2022-09-04T15:22:18.187995Z",
"updated_at": "2022-09-04T15:22:18.188020Z",
"structure_string": "Li6 Ni4 O11\n1.0\n-4.846396 -8.262442 0.115156\n-2.432885 4.136886 -0.012335\n1.691744 0.037146 -4.674449\nLi Ni O\n6 4 11\ndirect\n0.752374 0.492620 0.004752 Li\n0.499265 0.995760 0.490569 Li\n0.979699 0.944459 0.501115 Li\n0.189484 0.722263 0.506109 Li\n0.662979 0.644238 0.508667 Li\n0.262318 0.509686 0.970677 Li\n0.417830 0.175795 0.001375 Ni\n0.582230 0.834700 0.004910 Ni\n0.085271 0.816046 0.986635 Ni\n0.907525 0.169875 0.993337 Ni\n0.288918 0.929859 0.214738 O\n0.466811 0.582280 0.221411 O\n0.793055 0.937512 0.222236 O\n0.609234 0.223701 0.224809 O\n0.980310 0.587131 0.225579 O\n0.392213 0.796144 0.773418 O\n0.699203 0.053783 0.776897 O\n0.205201 0.070565 0.782708 O\n0.034602 0.394750 0.784603 O\n0.535128 0.428545 0.789590 O\n0.889106 0.789926 0.795196 O\n",
"nsites": 21,
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"elements": [
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"formula_full": "Li6 Ni4 O11",
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{
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"created_at": "2022-09-04T15:22:18.257791Z",
"updated_at": "2022-09-04T15:22:18.257819Z",
"structure_string": "Li6 Pd4 O11\n1.0\n-5.108463 -9.071070 -0.077215\n-2.481393 4.494030 0.003635\n1.677069 -0.008325 -4.720105\nLi O Pd\n6 11 4\ndirect\n0.752568 0.499519 0.002128 Li\n0.169104 0.660961 0.495778 Li\n0.838768 0.349032 0.496396 Li\n0.312578 0.311345 0.508549 Li\n0.695383 0.658897 0.510660 Li\n0.227143 0.487908 0.968788 Li\n0.125495 0.257712 0.231833 O\n0.776558 0.914418 0.234097 O\n0.962430 0.571016 0.234614 O\n0.618105 0.237174 0.234790 O\n0.287787 0.945715 0.237166 O\n0.537334 0.435601 0.754208 O\n0.716342 0.060198 0.760548 O\n0.035507 0.432579 0.763848 O\n0.881585 0.753161 0.772575 O\n0.221948 0.092102 0.776162 O\n0.376184 0.750463 0.782029 O\n0.917498 0.160591 0.002631 Pd\n0.083471 0.843446 0.003273 Pd\n0.578299 0.831789 0.998244 Pd\n0.423460 0.179546 0.998524 Pd\n",
"nsites": 21,
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"elements": [
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"formula_full": "Li6 Pd4 O11",
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{
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"created_at": "2022-09-04T15:22:18.338939Z",
"updated_at": "2022-09-04T15:22:18.338965Z",
"structure_string": "Li6 Pd4 O11\n1.0\n-5.083334 -8.853258 -0.081061\n-2.563899 4.439185 -0.043815\n1.653910 -0.002468 -4.716574\nLi O Pd\n6 11 4\ndirect\n0.826284 0.330322 0.492433 Li\n0.670348 0.652922 0.494444 Li\n0.353930 0.359887 0.514732 Li\n0.176073 0.718271 0.519122 Li\n0.257464 0.519548 0.990026 Li\n0.744742 0.487422 0.992873 Li\n0.617579 0.235986 0.229715 O\n0.784323 0.914473 0.231048 O\n0.458354 0.571385 0.234488 O\n0.964461 0.546980 0.234784 O\n0.277162 0.931929 0.239267 O\n0.873204 0.739993 0.758904 O\n0.714316 0.068622 0.759961 O\n0.376433 0.760478 0.762843 O\n0.540184 0.430786 0.768990 O\n0.045451 0.422085 0.772725 O\n0.211793 0.096972 0.780635 O\n0.416025 0.167514 0.003502 Pd\n0.917342 0.143893 0.992050 Pd\n0.073043 0.824725 0.995256 Pd\n0.581288 0.835407 0.997903 Pd\n",
"nsites": 21,
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"elements": [
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"formula_full": "Li6 Pd4 O11",
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{
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"created_at": "2022-09-04T15:22:18.345237Z",
"updated_at": "2022-09-04T15:22:18.345256Z",
"structure_string": "Li6 Ni4 O11\n1.0\n-4.797773 -8.287711 -0.032014\n-2.416565 4.154405 0.053643\n1.670752 -0.042811 -4.673951\nLi Ni O\n6 4 11\ndirect\n0.753761 0.504492 0.004677 Li\n0.671675 0.666521 0.484667 Li\n0.001860 0.995391 0.500824 Li\n0.522692 0.000613 0.514731 Li\n0.153904 0.616940 0.520497 Li\n0.251550 0.467753 0.984790 Li\n0.583086 0.840204 0.000827 Ni\n0.916791 0.175144 0.007686 Ni\n0.420085 0.180431 0.981694 Ni\n0.070974 0.823647 0.989390 Ni\n0.464656 0.584602 0.216017 O\n0.597796 0.218264 0.219080 O\n0.786316 0.938563 0.220974 O\n0.108008 0.223683 0.223086 O\n0.973765 0.593856 0.227393 O\n0.540478 0.438123 0.772271 O\n0.882549 0.790567 0.774566 O\n0.206312 0.046049 0.774789 O\n0.388527 0.788630 0.778056 O\n0.712666 0.068066 0.785382 O\n0.045587 0.432525 0.804110 O\n",
"nsites": 21,
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"elements": [
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"density": 4.033885384230379,
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"formula_full": "Li6 Ni4 O11",
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"spacegroup": 1
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{
"id": "oqmd-824465",
"created_at": "2022-09-04T15:22:18.417021Z",
"updated_at": "2022-09-04T15:22:18.417039Z",
"structure_string": "Li6 Ti4 O11\n1.0\n-5.112408 -8.596265 0.011939\n-2.619348 4.335176 -0.022154\n1.741308 0.002812 -4.769959\nLi O Ti\n6 11 4\ndirect\n0.824860 0.339140 0.477628 Li\n0.196215 0.727135 0.492435 Li\n0.662443 0.629896 0.508536 Li\n0.995322 0.981064 0.515528 Li\n0.504345 0.016913 0.516364 Li\n0.349245 0.376276 0.520202 Li\n0.986939 0.563669 0.225716 O\n0.795758 0.951744 0.232502 O\n0.284307 0.978206 0.243586 O\n0.470106 0.586569 0.245735 O\n0.602466 0.210610 0.247205 O\n0.029150 0.387697 0.739306 O\n0.699974 0.047898 0.750209 O\n0.207168 0.054923 0.761157 O\n0.392168 0.793272 0.762482 O\n0.528687 0.428237 0.778947 O\n0.906379 0.800046 0.792220 O\n0.415372 0.179542 0.001640 Ti\n0.572208 0.823867 0.017598 Ti\n0.084788 0.767469 0.956954 Ti\n0.885264 0.142153 0.972216 Ti\n",
"nsites": 21,
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"elements": [
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],
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"formula_full": "Li6 Ti4 O11",
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"spacegroup": 1
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{
"id": "oqmd-824463",
"created_at": "2022-09-04T15:22:18.502045Z",
"updated_at": "2022-09-04T15:22:18.502071Z",
"structure_string": "Li6 Tc4 O11\n1.0\n-5.076250 -8.447939 -0.241876\n-2.537245 4.223472 -0.116855\n1.502506 -0.002069 -4.785145\nLi O Tc\n6 11 4\ndirect\n0.750880 0.500287 0.002965 Li\n0.667410 0.665778 0.495914 Li\n0.831992 0.331622 0.499508 Li\n0.348608 0.343786 0.511434 Li\n0.166734 0.691380 0.514106 Li\n0.250170 0.498575 0.984875 Li\n0.452751 0.556974 0.215491 O\n0.779569 0.915862 0.217245 O\n0.963302 0.537244 0.224399 O\n0.273067 0.923756 0.228713 O\n0.625065 0.251134 0.258930 O\n0.372045 0.749745 0.737181 O\n0.873294 0.743409 0.740362 O\n0.706894 0.074243 0.765351 O\n0.041552 0.416547 0.775338 O\n0.220897 0.090544 0.781128 O\n0.544576 0.447235 0.781853 O\n0.427500 0.145175 0.000000 Tc\n0.072534 0.863649 0.010876 Tc\n0.571119 0.867029 0.994723 Tc\n0.933267 0.132475 0.995814 Tc\n",
"nsites": 21,
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"elements": [
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],
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"density_atomic": 0.10087623695929415,
"volume": 208.17588594699438,
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"formula_full": "Li6 Tc4 O11",
"formula_reduced": "Li6Tc4O11",
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{
"id": "oqmd-824466",
"created_at": "2022-09-04T15:22:18.453438Z",
"updated_at": "2022-09-04T15:22:18.453458Z",
"structure_string": "Li6 Ti4 O11\n1.0\n-5.285979 -8.894119 0.013817\n-2.559365 4.400329 0.102917\n1.869575 -0.036070 -4.746955\nLi O Ti\n6 11 4\ndirect\n0.718691 0.680705 0.439228 Li\n0.165133 0.640973 0.490712 Li\n0.010309 0.999037 0.508444 Li\n0.825763 0.332368 0.509204 Li\n0.502109 0.085007 0.531085 Li\n0.300130 0.313663 0.559373 Li\n0.789467 0.958699 0.215278 O\n0.976366 0.584582 0.229390 O\n0.597361 0.195316 0.241463 O\n0.102895 0.212692 0.249760 O\n0.297523 0.987712 0.258238 O\n0.704590 0.023898 0.717608 O\n0.389667 0.774913 0.728106 O\n0.897922 0.781339 0.748775 O\n0.025797 0.408266 0.764219 O\n0.203869 0.032826 0.770567 O\n0.507755 0.434020 0.850822 O\n0.929750 0.176562 0.002256 Ti\n0.607174 0.879791 0.965287 Ti\n0.395072 0.095418 0.984787 Ti\n0.078368 0.821896 0.997327 Ti\n",
"nsites": 21,
"nelements": 3,
"elements": [
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"O",
"Ti"
],
"chemical_system": "Li-O-Ti",
"density": 3.1359783043929466,
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"volume": 216.6273979585637,
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"formula_full": "Li6 Ti4 O11",
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"formula_anonymous": "A4B6C11",
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"spacegroup": 1
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{
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"created_at": "2022-09-04T15:22:18.571582Z",
"updated_at": "2022-09-04T15:22:18.571610Z",
"structure_string": "Li6 Pb4 O11\n1.0\n-5.902889 -9.802758 -0.065214\n-2.690554 4.751415 0.138696\n2.011004 -0.038268 -5.017660\nLi O Pb\n6 11 4\ndirect\n0.731385 0.681535 0.438240 Li\n0.135656 0.602461 0.509997 Li\n0.484310 0.079424 0.510609 Li\n0.829795 0.320243 0.527447 Li\n0.024230 0.003190 0.528049 Li\n0.298963 0.327959 0.554354 Li\n0.781658 0.954895 0.229174 O\n0.978407 0.582604 0.251549 O\n0.595690 0.218371 0.264372 O\n0.304336 0.013549 0.278447 O\n0.104352 0.213831 0.280757 O\n0.714795 0.012263 0.692962 O\n0.399778 0.786337 0.711310 O\n0.898658 0.765736 0.720670 O\n0.026476 0.399248 0.745837 O\n0.202093 0.032830 0.750245 O\n0.503099 0.415890 0.787708 O\n0.084866 0.827915 0.011468 Pb\n0.600850 0.886398 0.956033 Pb\n0.918782 0.149417 0.992775 Pb\n0.401722 0.136146 0.993085 Pb\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Li",
"O",
"Pb"
],
"chemical_system": "Li-O-Pb",
"density": 6.413860333885119,
"density_atomic": 0.0775131904378487,
"volume": 270.92163129110435,
"volume_molar": 7.7691818979231,
"formula_full": "Li6 Pb4 O11",
"formula_reduced": "Li6Pb4O11",
"formula_anonymous": "A4B6C11",
"formation_energy": -1.5248208702222,
"spacegroup": 1
}
]
}