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{
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"structure_string": "Li26 Si20 Pd28\n1.0\n0.000000 0.000000 4.404078\n12.818273 0.000000 0.000000\n0.000000 18.732963 0.000000\nLi Si Pd\n26 20 28\ndirect\n0.000000 0.021493 0.273118 Li\n0.000000 0.978507 0.726882 Li\n0.500000 0.478507 0.773118 Li\n0.500000 0.521493 0.226882 Li\n0.000000 0.217521 0.224016 Li\n0.000000 0.782479 0.775984 Li\n0.500000 0.282479 0.724016 Li\n0.500000 0.717521 0.275984 Li\n0.000000 0.992993 0.136342 Li\n0.000000 0.007007 0.863658 Li\n0.500000 0.507007 0.636342 Li\n0.500000 0.492993 0.363658 Li\n0.000000 0.204796 0.646584 Li\n0.000000 0.795204 0.353416 Li\n0.500000 0.295204 0.146584 Li\n0.500000 0.704796 0.853416 Li\n0.000000 0.010964 0.585217 Li\n0.000000 0.989036 0.414783 Li\n0.500000 0.489036 0.085217 Li\n0.500000 0.510964 0.914783 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.786147 0.061667 Li\n0.000000 0.213853 0.938333 Li\n0.500000 0.713853 0.561667 Li\n0.500000 0.286147 0.438333 Li\n0.000000 0.195390 0.505033 Si\n0.000000 0.804610 0.494967 Si\n0.500000 0.304610 0.005033 Si\n0.500000 0.695390 0.994967 Si\n0.000000 0.384536 0.310501 Si\n0.000000 0.615464 0.689499 Si\n0.500000 0.115464 0.810501 Si\n0.500000 0.884536 0.189499 Si\n0.000000 0.382824 0.565784 Si\n0.000000 0.617176 0.434216 Si\n0.500000 0.117176 0.065784 Si\n0.500000 0.882824 0.934216 Si\n0.000000 0.373029 0.063638 Si\n0.000000 0.626971 0.936362 Si\n0.500000 0.126971 0.563638 Si\n0.500000 0.873029 0.436362 Si\n0.000000 0.632301 0.180866 Si\n0.000000 0.367699 0.819134 Si\n0.500000 0.867699 0.680866 Si\n0.500000 0.132301 0.319134 Si\n0.000000 0.209305 0.373004 Pd\n0.000000 0.790695 0.626996 Pd\n0.500000 0.290695 0.873004 Pd\n0.500000 0.709305 0.126996 Pd\n0.000000 0.426811 0.438321 Pd\n0.000000 0.573189 0.561679 Pd\n0.500000 0.073189 0.938321 Pd\n0.500000 0.926811 0.061679 Pd\n0.000000 0.578150 0.306684 Pd\n0.000000 0.421850 0.693316 Pd\n0.500000 0.921850 0.806684 Pd\n0.500000 0.078150 0.193316 Pd\n0.000000 0.436682 0.185080 Pd\n0.000000 0.563318 0.814920 Pd\n0.500000 0.063318 0.685080 Pd\n0.500000 0.936682 0.314920 Pd\n0.000000 0.186565 0.085955 Pd\n0.000000 0.813435 0.914045 Pd\n0.500000 0.313435 0.585955 Pd\n0.500000 0.686565 0.414045 Pd\n0.000000 0.571031 0.060151 Pd\n0.000000 0.428969 0.939849 Pd\n0.500000 0.928969 0.560151 Pd\n0.500000 0.071031 0.439849 Pd\n0.000000 0.187633 0.788482 Pd\n0.000000 0.812367 0.211518 Pd\n0.500000 0.312367 0.288482 Pd\n0.500000 0.687633 0.711518 Pd\n",
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{
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{
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0.840559 Si\n0.395377 0.435393 0.175840 Si\n0.270845 0.154203 0.020171 Si\n0.293119 0.854350 0.159441 Si\n0.237762 0.145692 0.345956 Si\n0.227506 0.985571 0.298214 Si\n0.895377 0.064607 0.324160 Si\n0.737762 0.354308 0.154044 Si\n0.641133 0.939722 0.173675 Si\n0.514343 0.247882 0.992515 Si\n0.772494 0.014429 0.701786 Si\n0.485657 0.752118 0.007485 Si\n0.789052 0.180521 0.476340 Si\n0.210948 0.819479 0.523660 Si\n0.710948 0.680521 0.976340 Si\n0.262238 0.645692 0.845956 Si\n0.255914 0.772445 0.457464 Si\n0.858867 0.439722 0.673675 Si\n0.727506 0.514429 0.201786 Si\n0.770845 0.345797 0.479829 Si\n0.604623 0.564607 0.824160 Si\n0.183634 0.525522 0.698655 Si\n0.141133 0.560278 0.326325 Si\n0.744086 0.227555 0.542536 Si\n0.229155 0.654203 0.520171 Si\n0.206881 0.354350 0.659441 Si\n0.985657 0.747882 0.492515 Si\n0.729155 0.845797 0.979829 Si\n0.014343 0.252118 0.507485 Si\n0.755914 0.727555 0.042536 Si\n0.289052 0.319479 0.023660 Si\n0.793119 0.645650 0.340559 Si\n0.316366 0.025522 0.198655 Si\n0.272494 0.485571 0.798214 Si\n0.358867 0.060278 0.826325 Si\n0.244086 0.272445 0.957464 Si\n0.683634 0.974478 0.801345 Si\n0.706594 0.885749 0.605750 O\n0.247298 0.622021 0.671373 O\n0.004111 0.636805 0.339812 O\n0.723248 0.980934 0.751487 O\n0.520739 0.504247 0.198936 O\n0.762228 0.247270 0.815231 O\n0.737772 0.747270 0.315231 O\n0.790826 0.617173 0.182736 O\n0.978672 0.511847 0.695860 O\n0.722971 0.625031 0.788976 O\n0.803393 0.997602 0.362987 O\n0.495889 0.136805 0.839812 O\n0.264313 0.614444 0.290491 O\n0.020739 0.995753 0.301064 O\n0.223248 0.519066 0.748513 O\n0.752702 0.377979 0.328627 O\n0.478672 0.988153 0.804140 O\n0.028031 0.135861 0.342284 O\n0.793406 0.385749 0.105750 O\n0.222971 0.874969 0.711024 O\n0.277029 0.374969 0.211024 O\n0.773481 0.499818 0.632086 O\n0.185607 0.565480 0.820195 O\n0.696607 0.497602 0.862987 O\n0.237772 0.752730 0.184769 O\n0.764313 0.885556 0.209509 O\n0.521328 0.011847 0.195860 O\n0.685607 0.934520 0.679805 O\n0.735687 0.385556 0.709509 O\n0.979261 0.004247 0.698936 O\n0.209174 0.382827 0.817264 O\n0.262228 0.252730 0.684769 O\n0.971969 0.864139 0.657716 O\n0.814393 0.434520 0.179805 O\n0.747298 0.877979 0.828627 O\n0.297016 0.247305 0.322161 O\n0.235687 0.114444 0.790491 O\n0.252702 0.122021 0.171373 O\n0.273481 0.000182 0.867914 O\n0.290826 0.882827 0.317264 O\n0.772974 0.119553 0.888034 O\n0.276470 0.434668 0.685831 O\n0.206594 0.614251 0.894250 O\n0.272974 0.380447 0.611966 O\n0.223530 0.934668 0.185831 O\n0.303393 0.502398 0.137013 O\n0.727026 0.619553 0.388034 O\n0.471969 0.635861 0.842284 O\n0.709174 0.117173 0.682736 O\n0.479261 0.495753 0.801064 O\n0.777029 0.125031 0.288976 O\n0.995889 0.363195 0.660188 O\n0.702984 0.752695 0.677839 O\n0.196607 0.002398 0.637013 O\n0.776470 0.065332 0.814169 O\n0.276752 0.019066 0.248513 O\n0.776752 0.480934 0.251487 O\n0.314393 0.065480 0.320195 O\n0.226519 0.500182 0.367914 O\n0.528031 0.364139 0.157716 O\n0.723530 0.565332 0.314169 O\n0.293406 0.114251 0.394250 O\n0.021328 0.488153 0.304140 O\n0.797016 0.252695 0.177839 O\n0.504111 0.863195 0.160188 O\n0.726519 0.999818 0.132086 O\n0.202984 0.747305 0.822161 O\n0.227026 0.880447 0.111966 O\n",
"nsites": 164,
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"elements": [
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],
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"formula_full": "Rb56 Si40 O68",
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"updated_at": "2021-11-28T01:34:30.863000Z",
"spacegroup": 14
},
{
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"created_at": "2022-09-04T14:42:42.974758Z",
"structure_string": "Nb10 Pb14 O39\n1.0\n3.811059 -16.502162 0.000000\n3.811059 16.502162 0.000000\n0.000000 0.000000 7.649247\nNb Pb O\n10 14 39\ndirect\n0.667747 0.833111 0.500000 Nb\n0.000451 0.999549 0.248934 Nb\n0.334913 0.665087 0.754429 Nb\n0.334913 0.665087 0.245571 Nb\n0.830668 0.664833 0.000000 Nb\n0.166889 0.332253 0.500000 Nb\n0.665277 0.334723 0.747149 Nb\n0.665277 0.334723 0.252851 Nb\n0.000451 0.999549 0.751066 Nb\n0.335167 0.169332 0.000000 Nb\n0.505280 0.995419 0.500000 Pb\n0.668613 0.836937 0.000000 Pb\n0.169669 0.830331 0.257652 Pb\n0.169669 0.830331 0.742348 Pb\n0.498103 0.501897 0.252902 Pb\n0.163063 0.331387 0.000000 Pb\n0.993622 0.504168 0.000000 Pb\n0.004581 0.494720 0.500000 Pb\n0.832437 0.666242 0.500000 Pb\n0.498103 0.501897 0.747098 Pb\n0.829607 0.170393 0.235907 Pb\n0.829607 0.170393 0.764093 Pb\n0.333758 0.167563 0.500000 Pb\n0.495832 0.006378 0.000000 Pb\n0.770963 0.852076 0.316432 O\n0.770963 0.852076 0.683568 O\n0.571179 0.811990 0.309840 O\n0.571179 0.811990 0.690160 O\n0.487732 0.892011 0.204290 O\n0.487732 0.892011 0.795710 O\n0.130702 0.869298 0.500000 O\n0.021068 0.978932 0.500000 O\n0.099264 0.900736 0.000000 O\n0.320131 0.679869 0.500000 O\n0.221612 0.778388 0.500000 O\n0.440655 0.559345 0.500000 O\n0.360555 0.639445 0.000000 O\n0.849579 0.770478 0.815128 O\n0.107989 0.512268 0.795710 O\n0.107989 0.512268 0.204290 O\n0.188010 0.428821 0.690160 O\n0.188010 0.428821 0.309840 O\n0.849579 0.770478 0.184872 O\n0.147924 0.229037 0.683568 O\n0.810355 0.569209 0.812814 O\n0.810355 0.569209 0.187186 O\n0.891837 0.486603 0.704575 O\n0.891837 0.486603 0.295425 O\n0.147924 0.229037 0.316432 O\n0.534262 0.465738 0.500000 O\n0.559246 0.440754 0.000000 O\n0.680821 0.319179 0.000000 O\n0.639660 0.360340 0.500000 O\n0.874352 0.125648 0.000000 O\n0.899404 0.100596 0.500000 O\n0.976965 0.023035 0.000000 O\n0.780091 0.219909 0.000000 O\n0.513397 0.108163 0.295425 O\n0.513397 0.108163 0.704575 O\n0.430791 0.189645 0.187186 O\n0.430791 0.189645 0.812814 O\n0.229522 0.150421 0.184872 O\n0.229522 0.150421 0.815128 O\n",
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"updated_at": "2021-11-28T01:36:03.289000Z",
"spacegroup": 38
},
{
"id": "mp-707290",
"created_at": "2022-09-04T14:44:26.822579Z",
"structure_string": "Nb20 Pb28 O78\n1.0\n9.505797 0.000000 0.000000\n0.000000 12.929455 0.000000\n0.000000 2.912492 16.958893\nNb Pb O\n20 28 78\ndirect\n0.778714 0.229715 0.914798 Nb\n0.969595 0.525209 0.823037 Nb\n0.573257 0.496808 0.817065 Nb\n0.545726 0.984396 0.016277 Nb\n0.797965 0.499625 0.658063 Nb\n0.299837 0.994441 0.841309 Nb\n0.054877 0.496765 0.489805 Nb\n0.081088 0.006053 0.681808 Nb\n0.480533 0.985715 0.675249 Nb\n0.804814 0.717902 0.419528 Nb\n0.304814 0.282098 0.580472 Nb\n0.980533 0.014285 0.324751 Nb\n0.581088 0.993947 0.318192 Nb\n0.554877 0.503235 0.510195 Nb\n0.799837 0.005559 0.158691 Nb\n0.297965 0.500375 0.341937 Nb\n0.045726 0.015604 0.983723 Nb\n0.073257 0.503192 0.182935 Nb\n0.469595 0.474791 0.176963 Nb\n0.278714 0.770285 0.085202 Nb\n0.242345 0.283298 0.874440 Pb\n0.753064 0.488670 0.015410 Pb\n0.535983 0.270462 0.759050 Pb\n0.950439 0.744785 0.934203 Pb\n0.545241 0.734608 0.933658 Pb\n0.287552 0.518207 0.686723 Pb\n0.783198 0.759107 0.729923 Pb\n0.282701 0.740178 0.775460 Pb\n0.751507 0.979792 0.825071 Pb\n0.075392 0.770170 0.573583 Pb\n0.463944 0.755628 0.575767 Pb\n0.025915 0.237767 0.749885 Pb\n0.266667 0.780062 0.376872 Pb\n0.775234 0.991168 0.513032 Pb\n0.275234 0.008832 0.486968 Pb\n0.766667 0.219938 0.623128 Pb\n0.525915 0.762233 0.250115 Pb\n0.963944 0.244372 0.424233 Pb\n0.575392 0.229830 0.426417 Pb\n0.251507 0.020208 0.174929 Pb\n0.782701 0.259822 0.224540 Pb\n0.283198 0.240893 0.270077 Pb\n0.787552 0.481793 0.313277 Pb\n0.045241 0.265392 0.066342 Pb\n0.450439 0.255215 0.065797 Pb\n0.035983 0.729538 0.240950 Pb\n0.253064 0.511330 0.984590 Pb\n0.742345 0.716702 0.125560 Pb\n0.647566 0.131418 0.964144 O\n0.978698 0.156923 0.942268 O\n0.409265 0.399915 0.814426 O\n0.856995 0.328582 0.974063 O\n0.421188 0.445133 0.076071 O\n0.076133 0.458608 0.083413 O\n0.658956 0.343605 0.863179 O\n0.124443 0.436497 0.851407 O\n0.763557 0.559903 0.782668 O\n0.752204 0.684049 0.006989 O\n0.768953 0.794024 0.853598 O\n0.265175 0.856335 0.875279 O\n0.005550 0.510905 0.592147 O\n0.421144 0.560498 0.569742 O\n0.729979 0.948960 0.066069 O\n0.043918 0.654442 0.776386 O\n0.465226 0.605362 0.757345 O\n0.932210 0.430278 0.738009 O\n0.620650 0.438148 0.704094 O\n0.128964 0.064349 0.784321 O\n0.440155 0.066492 0.765879 O\n0.932115 0.924623 0.722357 O\n0.556288 0.860379 0.726466 O\n0.231119 0.550208 0.440587 O\n0.920032 0.942343 0.929832 O\n0.501697 0.969723 0.910375 O\n0.782617 0.639223 0.625228 O\n0.260115 0.709078 0.648152 O\n0.269866 0.815903 0.494878 O\n0.271457 0.935126 0.718513 O\n0.643899 0.069443 0.650836 O\n0.643570 0.648122 0.472578 O\n0.979150 0.652549 0.452468 O\n0.290045 0.298838 0.684080 O\n0.811264 0.187831 0.811230 O\n0.608598 0.047093 0.416192 O\n0.947172 0.056204 0.425606 O\n0.498415 0.857354 0.358050 O\n0.824066 0.861964 0.418966 O\n0.324066 0.138036 0.581034 O\n0.998415 0.142646 0.641950 O\n0.447172 0.943796 0.574394 O\n0.108598 0.952907 0.583808 O\n0.311264 0.812169 0.188770 O\n0.790045 0.701162 0.315920 O\n0.479150 0.347451 0.547532 O\n0.143570 0.351878 0.527422 O\n0.143899 0.930557 0.349164 O\n0.771457 0.064874 0.281487 O\n0.769866 0.184097 0.505122 O\n0.760115 0.290922 0.351848 O\n0.282617 0.360777 0.374772 O\n0.001697 0.030277 0.089625 O\n0.420032 0.057657 0.070168 O\n0.731119 0.449792 0.559413 O\n0.056288 0.139621 0.273534 O\n0.432115 0.075377 0.277643 O\n0.940155 0.933508 0.234121 O\n0.628964 0.935651 0.215679 O\n0.120650 0.561852 0.295906 O\n0.432210 0.569722 0.261991 O\n0.965226 0.394638 0.242655 O\n0.543918 0.345558 0.223614 O\n0.229979 0.051040 0.933931 O\n0.921144 0.439502 0.430258 O\n0.505550 0.489095 0.407853 O\n0.765175 0.143665 0.124721 O\n0.268953 0.205976 0.146402 O\n0.252204 0.315951 0.993011 O\n0.263557 0.440097 0.217332 O\n0.624443 0.563503 0.148593 O\n0.158956 0.656395 0.136821 O\n0.576133 0.541392 0.916587 O\n0.921188 0.554867 0.923929 O\n0.356995 0.671418 0.025937 O\n0.909265 0.600085 0.185574 O\n0.478698 0.843077 0.057732 O\n0.147566 0.868582 0.035856 O\n",
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"formula_full": "Nb20 Pb28 O78",
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"spacegroup": 4
}
]
}