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{
"id": "mp-1080855",
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"structure_string": "Ce16 Se32\n1.0\n11.445067 15.910759 0.000000\n-11.445067 15.910759 0.000000\n0.000000 2.664771 12.730939\nCe Se\n16 32\ndirect\n0.373805 0.601470 0.300985 Ce\n0.601470 0.373805 0.300985 Ce\n0.626195 0.398530 0.699015 Ce\n0.398530 0.626195 0.699015 Ce\n0.532873 0.761965 0.099211 Ce\n0.761965 0.532873 0.099211 Ce\n0.467127 0.238035 0.900789 Ce\n0.238035 0.467127 0.900789 Ce\n0.138307 0.363936 0.621503 Ce\n0.363936 0.138307 0.621503 Ce\n0.861693 0.636064 0.378497 Ce\n0.636064 0.861693 0.378497 Ce\n0.135296 0.542285 0.272178 Ce\n0.542285 0.135296 0.272178 Ce\n0.864704 0.457715 0.727822 Ce\n0.457715 0.864704 0.727822 Ce\n0.421026 0.705676 0.171151 Se\n0.705676 0.421026 0.171151 Se\n0.578974 0.294324 0.828849 Se\n0.294324 0.578974 0.828849 Se\n0.238024 0.609695 0.265456 Se\n0.609695 0.238024 0.265456 Se\n0.761976 0.390305 0.734544 Se\n0.390305 0.761976 0.734544 Se\n0.498419 0.854686 0.921142 Se\n0.854686 0.498419 0.921142 Se\n0.501581 0.145314 0.078858 Se\n0.145314 0.501581 0.078858 Se\n0.374422 0.625578 0.500000 Se\n0.625578 0.374422 0.500000 Se\n0.157131 0.423707 0.418466 Se\n0.423707 0.157131 0.418466 Se\n0.842869 0.576293 0.581534 Se\n0.576293 0.842869 0.581534 Se\n0.556745 0.830504 0.248638 Se\n0.830504 0.556745 0.248638 Se\n0.443255 0.169496 0.751362 Se\n0.169496 0.443255 0.751362 Se\n0.468877 0.468877 0.275451 Se\n0.531123 0.531123 0.724549 Se\n0.998996 0.362737 0.678918 Se\n0.362737 0.998996 0.678918 Se\n0.001004 0.637263 0.321082 Se\n0.637263 0.001004 0.321082 Se\n0.655606 0.655606 0.044585 Se\n0.344394 0.344394 0.955415 Se\n0.222722 0.222722 0.645407 Se\n0.777278 0.777278 0.354593 Se\n",
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},
{
"id": "mp-1019511",
"created_at": "2022-09-04T14:44:21.248956Z",
"structure_string": "Al8 P8 O32\n1.0\n8.856978 0.000000 0.000000\n2.313138 8.578973 0.000000\n4.132371 3.426238 11.739206\nAl P O\n8 8 32\ndirect\n0.302125 0.582855 0.630837 Al\n0.697875 0.417145 0.369163 Al\n0.680949 0.385433 0.814534 Al\n0.319051 0.614567 0.185466 Al\n0.021809 0.737397 0.941673 Al\n0.978191 0.262603 0.058327 Al\n0.486462 0.026812 0.175863 Al\n0.513538 0.973188 0.824137 Al\n0.603536 0.326581 0.187342 P\n0.396464 0.673419 0.812658 P\n0.600787 0.291336 0.628374 P\n0.399213 0.708664 0.371626 P\n0.740492 0.007537 0.955966 P\n0.259508 0.992463 0.044034 P\n0.981376 0.513455 0.819333 P\n0.018624 0.486545 0.180667 P\n0.703833 0.294013 0.506888 O\n0.296167 0.705987 0.493112 O\n0.571958 0.117055 0.694084 O\n0.428042 0.882945 0.305916 O\n0.113808 0.527238 0.707302 O\n0.886192 0.472762 0.292698 O\n0.692698 0.351278 0.685794 O\n0.307302 0.648722 0.314206 O\n0.502275 0.198659 0.206226 O\n0.497725 0.801341 0.793774 O\n0.510582 0.498145 0.141811 O\n0.489418 0.501855 0.858189 O\n0.435741 0.400885 0.624271 O\n0.564259 0.599115 0.375729 O\n0.635114 0.310931 0.301621 O\n0.364886 0.689069 0.698379 O\n0.948926 0.668484 0.857018 O\n0.051074 0.331516 0.142982 O\n0.765812 0.298756 0.099555 O\n0.234188 0.701244 0.900445 O\n0.827360 0.495510 0.798035 O\n0.172640 0.504490 0.201965 O\n0.658417 0.934124 0.900234 O\n0.341583 0.065876 0.099766 O\n0.923424 0.940459 0.927529 O\n0.076576 0.059541 0.072471 O\n0.711897 0.194135 0.911810 O\n0.288103 0.805865 0.088190 O\n0.671333 0.958320 0.086688 O\n0.328667 0.041680 0.913312 O\n0.036399 0.365651 0.912783 O\n0.963601 0.634349 0.087217 O\n",
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"elements": [
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"P",
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"formula_full": "Al8 P8 O32",
"formula_reduced": "AlPO4",
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},
{
"id": "mp-821",
"created_at": "2022-09-04T14:44:42.313964Z",
"structure_string": "Nb16 O32\n1.0\n-6.947091 6.947091 3.044644\n6.947091 -6.947091 3.044644\n6.947091 6.947091 -3.044644\nNb O\n16 32\ndirect\n0.030258 0.771006 0.990745 Nb\n0.021006 0.530262 0.240748 Nb\n0.289513 0.780258 0.759252 Nb\n0.780262 0.039513 0.009255 Nb\n0.219742 0.978994 0.509255 Nb\n0.228994 0.219738 0.259252 Nb\n0.960487 0.969742 0.740748 Nb\n0.469738 0.710487 0.490745 Nb\n0.475269 0.235943 0.012669 Nb\n0.485943 0.973274 0.260674 Nb\n0.712600 0.225269 0.739326 Nb\n0.223274 0.462600 0.987331 Nb\n0.774731 0.514057 0.487331 Nb\n0.764057 0.776726 0.239326 Nb\n0.537400 0.524731 0.760674 Nb\n0.026726 0.287400 0.512669 Nb\n0.507839 0.119140 0.861947 O\n0.369140 0.007193 0.111301 O\n0.895892 0.257839 0.888699 O\n0.257193 0.645892 0.138053 O\n0.742161 0.630860 0.638053 O\n0.880860 0.742807 0.388699 O\n0.354108 0.492161 0.611301 O\n0.992807 0.104108 0.361947 O\n0.998516 0.599837 0.851201 O\n0.849837 0.498636 0.101321 O\n0.397315 0.748516 0.898679 O\n0.748636 0.147315 0.148799 O\n0.251484 0.150163 0.648799 O\n0.400163 0.251364 0.398679 O\n0.852685 0.001484 0.601321 O\n0.501364 0.602685 0.351201 O\n0.511838 0.901211 0.637226 O\n0.151211 0.013984 0.889373 O\n0.124612 0.261838 0.110627 O\n0.263984 0.874612 0.362774 O\n0.738162 0.848789 0.862774 O\n0.098789 0.736016 0.610627 O\n0.125388 0.488162 0.389373 O\n0.986016 0.875388 0.137226 O\n0.996771 0.397305 0.652725 O\n0.647305 0.494580 0.900533 O\n0.594047 0.746771 0.099467 O\n0.744580 0.344047 0.347275 O\n0.253229 0.352695 0.847275 O\n0.602695 0.255420 0.599467 O\n0.655953 0.003229 0.400533 O\n0.505420 0.405953 0.152725 O\n",
"nsites": 48,
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"formula_full": "Nb16 O32",
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},
{
"id": "mp-28170",
"created_at": "2022-09-04T14:44:42.332522Z",
"structure_string": "Ca10 Ni30 B8\n1.0\n2.542182 -4.403189 0.000000\n2.542182 4.403189 0.000000\n0.000000 0.000000 27.831772\nCa Ni B\n10 30 8\ndirect\n0.666667 0.333333 0.750000 Ca\n0.333333 0.666667 0.250000 Ca\n0.333333 0.666667 0.481358 Ca\n0.666667 0.333333 0.981358 Ca\n0.666667 0.333333 0.518642 Ca\n0.333333 0.666667 0.018642 Ca\n0.333333 0.666667 0.368680 Ca\n0.666667 0.333333 0.868680 Ca\n0.666667 0.333333 0.631320 Ca\n0.333333 0.666667 0.131320 Ca\n0.832837 0.167163 0.177559 Ni\n0.167163 0.334326 0.822441 Ni\n0.167163 0.832837 0.822441 Ni\n0.167163 0.334326 0.677559 Ni\n0.665674 0.832837 0.822441 Ni\n0.334326 0.167163 0.322441 Ni\n0.832837 0.665674 0.322441 Ni\n0.832837 0.167163 0.322441 Ni\n0.333333 0.666667 0.750000 Ni\n0.666667 0.333333 0.250000 Ni\n0.000000 0.000000 0.250000 Ni\n0.000000 0.000000 0.750000 Ni\n0.334326 0.167163 0.177559 Ni\n0.665674 0.832837 0.677559 Ni\n0.167163 0.832837 0.677559 Ni\n0.832837 0.665674 0.177559 Ni\n0.835649 0.164351 0.422136 Ni\n0.835649 0.671298 0.422136 Ni\n0.328702 0.164351 0.422136 Ni\n0.671298 0.835649 0.922136 Ni\n0.164351 0.328702 0.577864 Ni\n0.164351 0.835649 0.922136 Ni\n0.164351 0.328702 0.922136 Ni\n0.835649 0.164351 0.077864 Ni\n0.328702 0.164351 0.077864 Ni\n0.671298 0.835649 0.577864 Ni\n0.164351 0.835649 0.577864 Ni\n0.835649 0.671298 0.077864 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.371807 B\n0.000000 0.000000 0.871807 B\n0.000000 0.000000 0.628193 B\n0.000000 0.000000 0.128193 B\n0.333333 0.666667 0.873266 B\n0.666667 0.333333 0.373266 B\n0.666667 0.333333 0.126734 B\n0.333333 0.666667 0.626734 B\n",
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{
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"structure_string": "Eu4 V4 Se8 O32\n1.0\n7.107124 0.000000 0.000000\n0.000000 6.911632 0.000000\n0.000000 0.289872 13.781170\nEu V Se O\n4 4 8 32\ndirect\n0.750000 0.377541 0.863148 Eu\n0.250000 0.622459 0.136852 Eu\n0.750000 0.924880 0.069444 Eu\n0.250000 0.075120 0.930556 Eu\n0.491633 0.373901 0.387020 V\n0.991633 0.626099 0.612980 V\n0.508367 0.626099 0.612980 V\n0.008367 0.373901 0.387020 V\n0.750000 0.968035 0.352281 Se\n0.250000 0.031965 0.647719 Se\n0.750000 0.449258 0.138427 Se\n0.250000 0.550742 0.861573 Se\n0.750000 0.210343 0.591717 Se\n0.250000 0.789657 0.408283 Se\n0.750000 0.895852 0.839823 Se\n0.250000 0.104148 0.160177 Se\n0.555291 0.097885 0.395508 O\n0.055291 0.902115 0.604492 O\n0.444709 0.902115 0.604492 O\n0.944709 0.097885 0.395508 O\n0.750000 0.020574 0.232124 O\n0.250000 0.979426 0.767876 O\n0.924475 0.615700 0.107803 O\n0.424475 0.384300 0.892197 O\n0.075525 0.384300 0.892197 O\n0.575525 0.615700 0.107803 O\n0.750000 0.290623 0.043682 O\n0.250000 0.709377 0.956318 O\n0.944682 0.362798 0.562608 O\n0.444682 0.637202 0.437392 O\n0.055318 0.637202 0.437392 O\n0.555318 0.362798 0.562608 O\n0.750000 0.209118 0.714018 O\n0.250000 0.790882 0.285982 O\n0.422445 0.970286 0.101259 O\n0.922445 0.029714 0.898741 O\n0.577555 0.029714 0.898741 O\n0.077555 0.970286 0.101259 O\n0.750000 0.698322 0.918340 O\n0.250000 0.301678 0.081660 O\n0.559720 0.588522 0.729235 O\n0.059720 0.411478 0.270765 O\n0.440280 0.411478 0.270765 O\n0.940280 0.588522 0.729235 O\n0.250000 0.304576 0.427413 O\n0.750000 0.695424 0.572587 O\n0.750000 0.422682 0.384050 O\n0.250000 0.577318 0.615950 O\n",
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{
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"structure_string": "Rb8 Pd4 C16 N16 O4\n1.0\n0.000000 0.000000 7.716198\n9.967190 0.000000 0.000000\n0.000000 13.879907 0.000000\nRb Pd C N O\n8 4 16 16 4\ndirect\n0.307574 0.250000 0.750000 Rb\n0.192426 0.750000 0.750000 Rb\n0.692426 0.750000 0.250000 Rb\n0.807574 0.250000 0.250000 Rb\n0.750000 0.000000 0.599396 Rb\n0.750000 0.500000 0.900604 Rb\n0.250000 0.000000 0.400604 Rb\n0.250000 0.500000 0.099396 Rb\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.002273 0.471058 0.642324 C\n0.497727 0.528942 0.642324 C\n0.002273 0.028942 0.857676 C\n0.497727 0.971058 0.857676 C\n0.997727 0.528942 0.357676 C\n0.502273 0.471058 0.357676 C\n0.997727 0.971058 0.142324 C\n0.502273 0.028942 0.142324 C\n0.969076 0.303004 0.479809 C\n0.530924 0.696996 0.479809 C\n0.969076 0.196996 0.020191 C\n0.530924 0.803004 0.020191 C\n0.030924 0.696996 0.520191 C\n0.469076 0.303004 0.520191 C\n0.030924 0.803004 0.979809 C\n0.469076 0.196996 0.979809 C\n0.011228 0.456508 0.726269 N\n0.488772 0.543492 0.726269 N\n0.011228 0.043492 0.773731 N\n0.488772 0.956508 0.773731 N\n0.988772 0.543492 0.273731 N\n0.511228 0.456508 0.273731 N\n0.988772 0.956508 0.226269 N\n0.511228 0.043492 0.226269 N\n0.951217 0.187866 0.465399 N\n0.548783 0.812134 0.465399 N\n0.951217 0.312134 0.034601 N\n0.548783 0.687866 0.034601 N\n0.048783 0.812134 0.534601 N\n0.451217 0.187866 0.534601 N\n0.048783 0.687866 0.965399 N\n0.451217 0.312134 0.965399 N\n0.717616 0.250000 0.750000 O\n0.782384 0.750000 0.750000 O\n0.282384 0.750000 0.250000 O\n0.217616 0.250000 0.250000 O\n",
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{
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}