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{
"id": "mp-851109",
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"volume": 2970.2289094740695,
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"formula_full": "Sr18 La10 Br66",
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"updated_at": "2021-11-28T01:34:30.920000Z",
"spacegroup": 2
},
{
"id": "mp-851110",
"created_at": "2022-09-04T14:40:08.869148Z",
"structure_string": "Ba18 La10 I66\n1.0\n13.167730 0.000000 0.000000\n-4.263114 12.504154 0.000000\n-4.280608 -5.924850 24.088375\nBa La I\n18 10 66\ndirect\n0.922266 0.253663 0.928619 Ba\n0.320593 0.094357 0.965476 Ba\n0.473749 0.021172 0.194168 Ba\n0.865700 0.262360 0.338067 Ba\n0.249189 0.127987 0.376920 Ba\n0.678005 0.399123 0.542188 Ba\n0.077653 0.243980 0.566292 Ba\n0.759476 0.359370 0.121655 Ba\n0.138631 0.233005 0.159909 Ba\n0.861369 0.766995 0.840091 Ba\n0.240524 0.640630 0.878345 Ba\n0.922347 0.756020 0.433708 Ba\n0.321995 0.600877 0.457812 Ba\n0.750811 0.872013 0.623080 Ba\n0.134300 0.737640 0.661933 Ba\n0.526251 0.978828 0.805832 Ba\n0.679407 0.905643 0.034524 Ba\n0.077734 0.746337 0.071381 Ba\n0.380978 0.045477 0.585839 La\n0.180353 0.141546 0.765189 La\n0.855745 0.352150 0.733577 La\n0.625056 0.456251 0.925946 La\n0.463174 0.535730 0.686682 La\n0.536826 0.464270 0.313318 La\n0.374944 0.543749 0.074054 La\n0.144255 0.647850 0.266423 La\n0.819647 0.858454 0.234811 La\n0.619022 0.954523 0.414161 La\n0.771527 0.139556 0.784072 I\n0.949643 0.153593 0.675491 I\n0.620874 0.209170 0.919567 I\n0.741427 0.045775 0.194027 I\n0.161398 0.016053 0.637090 I\n0.061075 0.076407 0.873982 I\n0.654333 0.185243 0.627780 I\n0.444926 0.184904 0.739280 I\n0.810522 0.223574 0.475708 I\n0.582098 0.114754 0.338548 I\n0.478754 0.118854 0.474165 I\n0.157903 0.037688 0.487316 I\n0.356008 0.298378 0.879266 I\n0.886246 0.183955 0.060637 I\n0.820299 0.455598 0.855912 I\n0.552560 0.105808 0.072537 I\n0.946556 0.429818 0.627223 I\n0.242277 0.037691 0.093701 I\n0.397058 0.302533 0.589440 I\n0.980255 0.379188 0.225751 I\n0.352187 0.210341 0.263210 I\n0.656982 0.316324 0.240764 I\n0.034328 0.118894 0.274861 I\n0.251828 0.358964 0.711333 I\n0.705367 0.502254 0.693586 I\n0.075351 0.354506 0.822421 I\n0.751475 0.465077 0.405513 I\n0.567753 0.560648 0.821465 I\n0.450775 0.393969 0.424328 I\n0.797893 0.713576 0.969938 I\n0.471540 0.610381 0.964626 I\n0.124825 0.318317 0.437005 I\n0.147031 0.529614 0.983597 I\n0.852969 0.470386 0.016403 I\n0.875175 0.681683 0.562995 I\n0.528460 0.389619 0.035374 I\n0.202107 0.286424 0.030062 I\n0.549225 0.606031 0.575672 I\n0.432247 0.439352 0.178535 I\n0.248525 0.534923 0.594487 I\n0.924649 0.645494 0.177579 I\n0.294633 0.497746 0.306414 I\n0.748172 0.641036 0.288667 I\n0.965672 0.881106 0.725139 I\n0.343018 0.683676 0.759236 I\n0.647813 0.789659 0.736790 I\n0.019745 0.620812 0.774249 I\n0.602942 0.697467 0.410560 I\n0.757723 0.962309 0.906299 I\n0.053444 0.570182 0.372777 I\n0.447440 0.894192 0.927463 I\n0.179701 0.544402 0.144088 I\n0.113754 0.816045 0.939363 I\n0.643992 0.701622 0.120734 I\n0.842097 0.962312 0.512684 I\n0.521246 0.881146 0.525835 I\n0.417902 0.885246 0.661452 I\n0.189478 0.776426 0.524292 I\n0.555074 0.815096 0.260720 I\n0.345667 0.814757 0.372220 I\n0.938925 0.923593 0.126018 I\n0.838602 0.983947 0.362910 I\n0.258573 0.954225 0.805973 I\n0.379126 0.790830 0.080433 I\n0.050357 0.846407 0.324509 I\n0.228473 0.860444 0.215928 I\n",
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"elements": [
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],
"chemical_system": "Ba-I-La",
"density": 5.123165654213792,
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"volume": 3966.1828307465235,
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"formula_full": "Ba18 La10 I66",
"formula_reduced": "Ba9La5I33",
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"energy": -365.45434207,
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"spacegroup": 2
},
{
"id": "mp-851112",
"created_at": "2022-09-04T14:39:13.655333Z",
"structure_string": "Ba18 La10 Br66\n1.0\n12.241504 0.000000 0.000000\n-3.898542 11.652992 0.000000\n-3.904179 -5.593346 22.482044\nBa La Br\n18 10 66\ndirect\n0.923815 0.254098 0.928514 Ba\n0.319836 0.092507 0.965662 Ba\n0.472526 0.022812 0.194790 Ba\n0.868839 0.266329 0.339397 Ba\n0.250510 0.125138 0.376672 Ba\n0.676696 0.398236 0.539986 Ba\n0.075287 0.243284 0.564837 Ba\n0.758015 0.359857 0.122150 Ba\n0.136800 0.229788 0.160659 Ba\n0.863200 0.770212 0.839341 Ba\n0.241985 0.640143 0.877850 Ba\n0.924713 0.756716 0.435163 Ba\n0.323304 0.601764 0.460014 Ba\n0.749490 0.874862 0.623328 Ba\n0.131161 0.733671 0.660603 Ba\n0.527474 0.977188 0.805210 Ba\n0.680164 0.907493 0.034338 Ba\n0.076185 0.745902 0.071486 Ba\n0.381070 0.044906 0.586590 La\n0.182615 0.141660 0.764665 La\n0.857037 0.350919 0.732585 La\n0.625351 0.457790 0.925958 La\n0.462115 0.534658 0.686930 La\n0.537885 0.465342 0.313070 La\n0.374649 0.542210 0.074042 La\n0.142963 0.649081 0.267415 La\n0.817385 0.858340 0.235335 La\n0.618930 0.955094 0.413410 La\n0.772042 0.140736 0.783163 Br\n0.951062 0.154558 0.675458 Br\n0.621228 0.210932 0.918983 Br\n0.742540 0.047977 0.194338 Br\n0.158600 0.014398 0.636006 Br\n0.064745 0.079298 0.872858 Br\n0.653557 0.183444 0.628600 Br\n0.436498 0.179395 0.736963 Br\n0.808478 0.220940 0.474947 Br\n0.580248 0.116434 0.339760 Br\n0.478210 0.118189 0.475510 Br\n0.159901 0.038175 0.488429 Br\n0.358419 0.299472 0.878613 Br\n0.887251 0.185175 0.060957 Br\n0.817251 0.453837 0.854426 Br\n0.550443 0.105462 0.073225 Br\n0.944280 0.429183 0.625961 Br\n0.239629 0.035670 0.093386 Br\n0.396779 0.302046 0.590273 Br\n0.981518 0.381716 0.226634 Br\n0.352471 0.212956 0.263559 Br\n0.657186 0.317117 0.241872 Br\n0.033043 0.116697 0.274855 Br\n0.250033 0.359060 0.710702 Br\n0.702992 0.497862 0.693352 Br\n0.075329 0.354424 0.821829 Br\n0.751797 0.465874 0.405553 Br\n0.566342 0.558106 0.820853 Br\n0.451698 0.394741 0.423369 Br\n0.797789 0.713568 0.969358 Br\n0.472633 0.610875 0.965308 Br\n0.126333 0.318226 0.437063 Br\n0.148417 0.528878 0.984120 Br\n0.851583 0.471122 0.015880 Br\n0.873667 0.681774 0.562937 Br\n0.527367 0.389125 0.034692 Br\n0.202211 0.286432 0.030642 Br\n0.548302 0.605259 0.576631 Br\n0.433658 0.441894 0.179147 Br\n0.248203 0.534126 0.594447 Br\n0.924671 0.645576 0.178171 Br\n0.297008 0.502138 0.306648 Br\n0.749967 0.640940 0.289298 Br\n0.966957 0.883303 0.725145 Br\n0.342814 0.682883 0.758128 Br\n0.647529 0.787044 0.736441 Br\n0.018482 0.618284 0.773366 Br\n0.603221 0.697954 0.409727 Br\n0.760371 0.964330 0.906614 Br\n0.055720 0.570817 0.374039 Br\n0.449557 0.894538 0.926775 Br\n0.182749 0.546163 0.145574 Br\n0.112749 0.814825 0.939043 Br\n0.641581 0.700528 0.121387 Br\n0.840099 0.961825 0.511571 Br\n0.521790 0.881811 0.524490 Br\n0.419752 0.883566 0.660240 Br\n0.191522 0.779060 0.525053 Br\n0.563502 0.820605 0.263037 Br\n0.346443 0.816556 0.371400 Br\n0.935255 0.920702 0.127142 Br\n0.841400 0.985602 0.363994 Br\n0.257460 0.952023 0.805662 Br\n0.378772 0.789068 0.081017 Br\n0.048938 0.845442 0.324542 Br\n0.227958 0.859264 0.216837 Br\n",
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"formula_full": "Ba18 La10 Br66",
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{
"id": "mp-851113",
"created_at": "2022-09-04T14:41:57.595383Z",
"structure_string": "Li8 V6 P16 O58\n1.0\n9.741262 0.000000 0.000000\n-4.836551 -8.507072 0.000000\n-0.022901 0.004431 -14.162949\nLi V P O\n8 6 16 58\ndirect\n0.776342 0.083601 0.058928 Li\n0.330163 0.095245 0.555247 Li\n0.909485 0.678409 0.059351 Li\n0.765093 0.665828 0.556257 Li\n0.090549 0.318413 0.944584 Li\n0.672550 0.908744 0.440401 Li\n0.221332 0.917314 0.942791 Li\n0.037160 0.054032 0.491865 Li\n0.430282 0.432619 0.247240 V\n0.565482 0.565227 0.754870 V\n0.995983 0.431441 0.739064 V\n0.003954 0.565956 0.260853 V\n0.566009 0.000079 0.247614 V\n0.433051 0.999931 0.751186 V\n0.773899 0.091683 0.838309 P\n0.914887 0.219234 0.341814 P\n0.312230 0.089460 0.340147 P\n0.673690 0.339375 0.132725 P\n0.662154 0.336224 0.628730 P\n0.314627 0.230366 0.844748 P\n0.227910 0.308265 0.659089 P\n0.913039 0.678309 0.842186 P\n0.086569 0.318748 0.159348 P\n0.768421 0.685110 0.341845 P\n0.685179 0.769746 0.157849 P\n0.340062 0.666430 0.370521 P\n0.324189 0.661385 0.867153 P\n0.684488 0.908731 0.658598 P\n0.083798 0.777712 0.659880 P\n0.224623 0.906025 0.161359 P\n0.769557 0.977588 0.568463 O\n0.740835 0.083521 0.336377 O\n0.999870 0.246399 0.069172 O\n0.920576 0.259284 0.831623 O\n0.620124 0.099551 0.817882 O\n0.671323 0.185509 0.168029 O\n0.467098 0.086345 0.329946 O\n0.230281 0.982563 0.069794 O\n0.337181 0.084227 0.842954 O\n0.810635 0.329593 0.673163 O\n0.919600 0.380643 0.333122 O\n0.509903 0.189082 0.664495 O\n0.679990 0.353510 0.028076 O\n0.675413 0.353127 0.524238 O\n0.526987 0.341721 0.178158 O\n0.905874 0.521003 0.819273 O\n0.821785 0.483087 0.179932 O\n0.342184 0.259936 0.326897 O\n0.206496 0.206504 0.752624 O\n0.212513 0.207412 0.576144 O\n0.234978 0.244409 0.929715 O\n0.476968 0.380530 0.823910 O\n0.673361 0.489043 0.674049 O\n0.254964 0.341968 0.162782 O\n0.613630 0.529683 0.328568 O\n0.911450 0.655660 0.336313 O\n0.991990 0.201714 0.244560 O\n0.997045 0.199931 0.424324 O\n0.989709 0.785061 0.579341 O\n0.089286 0.344947 0.663405 O\n0.386061 0.462319 0.670019 O\n0.744567 0.656185 0.835275 O\n0.332607 0.518550 0.321028 O\n0.524842 0.619170 0.175281 O\n0.774128 0.761236 0.075696 O\n0.774040 0.770591 0.431473 O\n0.788316 0.796613 0.254355 O\n0.657472 0.737349 0.667952 O\n0.178084 0.515429 0.821857 O\n0.093881 0.476785 0.181407 O\n0.472096 0.658187 0.820394 O\n0.324031 0.651448 0.971818 O\n0.333198 0.657009 0.474940 O\n0.491558 0.813660 0.333244 O\n0.083760 0.618471 0.669095 O\n0.189653 0.670500 0.326786 O\n0.662613 0.916185 0.157140 O\n0.793332 0.998823 0.749821 O\n0.767406 0.016519 0.930471 O\n0.528434 0.908861 0.671891 O\n0.326947 0.814292 0.830519 O\n0.378629 0.899501 0.181032 O\n0.079343 0.737614 0.167387 O\n0.996387 0.749803 0.933254 O\n0.012244 0.798200 0.758753 O\n0.255957 0.916590 0.660819 O\n0.224094 0.023001 0.430189 O\n0.202854 0.996329 0.250122 O\n",
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{
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}