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{
"id": "mp-556627",
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"structure_string": "K32 Ge8 S32\n1.0\n12.925724 0.000000 0.000000\n0.000000 12.925724 0.000000\n0.000000 0.000000 12.925724\nK Ge S\n32 8 32\ndirect\n0.365568 0.150797 0.413949 K\n0.150797 0.586051 0.634432 K\n0.913949 0.349203 0.134432 K\n0.652070 0.652070 0.652070 K\n0.152070 0.847930 0.847930 K\n0.634432 0.849203 0.413949 K\n0.865568 0.086051 0.349203 K\n0.413949 0.365568 0.150797 K\n0.849203 0.586051 0.365568 K\n0.650797 0.134432 0.086051 K\n0.847930 0.152070 0.847930 K\n0.849203 0.413949 0.634432 K\n0.652070 0.347930 0.347930 K\n0.650797 0.865568 0.913949 K\n0.134432 0.086051 0.650797 K\n0.150797 0.413949 0.365568 K\n0.152070 0.152070 0.152070 K\n0.347930 0.347930 0.652070 K\n0.634432 0.150797 0.586051 K\n0.349203 0.865568 0.086051 K\n0.349203 0.134432 0.913949 K\n0.086051 0.349203 0.865568 K\n0.413949 0.634432 0.849203 K\n0.365568 0.849203 0.586051 K\n0.134432 0.913949 0.349203 K\n0.865568 0.913949 0.650797 K\n0.347930 0.652070 0.347930 K\n0.913949 0.650797 0.865568 K\n0.586051 0.365568 0.849203 K\n0.086051 0.650797 0.134432 K\n0.586051 0.634432 0.150797 K\n0.847930 0.847930 0.152070 K\n0.000000 0.750000 0.500000 Ge\n0.500000 0.000000 0.250000 Ge\n0.500000 0.000000 0.750000 Ge\n0.250000 0.500000 0.000000 Ge\n0.000000 0.250000 0.500000 Ge\n0.750000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Ge\n0.844893 0.595691 0.110095 S\n0.899811 0.100189 0.100189 S\n0.389905 0.095691 0.655107 S\n0.655107 0.389905 0.095691 S\n0.899811 0.899811 0.899811 S\n0.600189 0.399811 0.600189 S\n0.344893 0.610095 0.095691 S\n0.110095 0.155107 0.404309 S\n0.095691 0.655107 0.389905 S\n0.344893 0.389905 0.904309 S\n0.889905 0.844893 0.404309 S\n0.110095 0.844893 0.595691 S\n0.595691 0.889905 0.155107 S\n0.610095 0.904309 0.655107 S\n0.155107 0.404309 0.110095 S\n0.904309 0.344893 0.389905 S\n0.610095 0.095691 0.344893 S\n0.404309 0.110095 0.155107 S\n0.399811 0.399811 0.399811 S\n0.595691 0.110095 0.844893 S\n0.889905 0.155107 0.595691 S\n0.399811 0.600189 0.600189 S\n0.655107 0.610095 0.904309 S\n0.100189 0.899811 0.100189 S\n0.904309 0.655107 0.610095 S\n0.100189 0.100189 0.899811 S\n0.844893 0.404309 0.889905 S\n0.389905 0.904309 0.344893 S\n0.095691 0.344893 0.610095 S\n0.404309 0.889905 0.844893 S\n0.155107 0.595691 0.889905 S\n0.600189 0.600189 0.399811 S\n",
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{
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"structure_string": "Nd4 H20 Se8 O32\n1.0\n6.864867 0.000000 0.000000\n0.000000 7.234985 0.000000\n0.000000 0.000000 16.618091\nNd H Se O\n4 20 8 32\ndirect\n0.867962 0.886155 0.214315 Nd\n0.632038 0.113845 0.714315 Nd\n0.367962 0.613845 0.785685 Nd\n0.132038 0.386155 0.285685 Nd\n0.203018 0.327808 0.956907 H\n0.296982 0.672192 0.456907 H\n0.703018 0.172192 0.043093 H\n0.796982 0.827808 0.543093 H\n0.969279 0.575933 0.097078 H\n0.530721 0.424067 0.597078 H\n0.469279 0.924067 0.902922 H\n0.030721 0.075933 0.402922 H\n0.837629 0.704317 0.041243 H\n0.662371 0.295683 0.541243 H\n0.337629 0.795683 0.958757 H\n0.162371 0.204317 0.458757 H\n0.610319 0.062435 0.468179 H\n0.889681 0.937565 0.968179 H\n0.110319 0.437565 0.531821 H\n0.389681 0.562435 0.031821 H\n0.648525 0.183973 0.392127 H\n0.851475 0.816027 0.892127 H\n0.148525 0.316027 0.607873 H\n0.351475 0.683973 0.107873 H\n0.333021 0.887213 0.273364 Se\n0.166979 0.112787 0.773364 Se\n0.833021 0.612787 0.726636 Se\n0.666979 0.387213 0.226636 Se\n0.134327 0.188761 0.080173 Se\n0.365673 0.811239 0.580173 Se\n0.634327 0.311239 0.919827 Se\n0.865673 0.688761 0.419827 Se\n0.190201 0.709998 0.233393 O\n0.309799 0.290002 0.733393 O\n0.690201 0.790002 0.766607 O\n0.809799 0.209998 0.266607 O\n0.526424 0.893517 0.209510 O\n0.973576 0.106483 0.709510 O\n0.026424 0.606483 0.790490 O\n0.473576 0.393517 0.290490 O\n0.182637 0.063111 0.235917 O\n0.317363 0.936889 0.735917 O\n0.682637 0.436889 0.764083 O\n0.817363 0.563111 0.264083 O\n0.909427 0.087335 0.092165 O\n0.590573 0.912665 0.592165 O\n0.409427 0.412665 0.907835 O\n0.090573 0.587335 0.407835 O\n0.124993 0.384173 0.138096 O\n0.375007 0.615827 0.638096 O\n0.624993 0.115827 0.861904 O\n0.875007 0.884173 0.361904 O\n0.076918 0.290593 0.983507 O\n0.423082 0.709407 0.483507 O\n0.576918 0.209407 0.016493 O\n0.923082 0.790593 0.516493 O\n0.863402 0.668935 0.097931 O\n0.636598 0.331065 0.597931 O\n0.363402 0.831065 0.902069 O\n0.136598 0.168935 0.402069 O\n0.601788 0.188907 0.447951 O\n0.898212 0.811093 0.947951 O\n0.101788 0.311093 0.552049 O\n0.398212 0.688907 0.052049 O\n",
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],
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"formula_full": "Nd4 H20 Se8 O32",
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"updated_at": "2021-11-28T01:35:33.264000Z",
"spacegroup": 19
},
{
"id": "mp-1042181",
"created_at": "2022-09-04T14:41:53.650335Z",
"structure_string": "Ba1 Al1 Cu1 Ag1 O5\n1.0\n3.768533 0.000000 0.000000\n0.000000 3.768533 0.000000\n0.000000 0.000000 8.317897\nBa Al Cu Ag O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.007060 Ba\n0.000000 0.000000 0.458597 Al\n0.500000 0.500000 0.251407 Cu\n0.500000 0.500000 0.694156 Ag\n0.000000 0.500000 0.590841 O\n0.500000 0.000000 0.590841 O\n0.000000 0.500000 0.307530 O\n0.500000 0.000000 0.307530 O\n0.500000 0.500000 0.980014 O\n",
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{
"id": "mp-1205192",
"created_at": "2022-09-04T14:41:52.405577Z",
"structure_string": "K24 Zn12 Cl40\n1.0\n27.157530 0.000000 0.000000\n0.000000 12.448735 0.000000\n0.000000 0.000000 7.226091\nK Zn Cl\n24 12 40\ndirect\n0.708559 0.915573 0.787440 K\n0.291441 0.084427 0.287440 K\n0.791441 0.415573 0.287440 K\n0.208559 0.584427 0.787440 K\n0.542751 0.574571 0.718300 K\n0.457249 0.425429 0.218300 K\n0.957249 0.074571 0.218300 K\n0.042751 0.925429 0.718300 K\n0.881033 0.584116 0.744487 K\n0.118967 0.415884 0.244487 K\n0.618967 0.084116 0.244487 K\n0.381033 0.915884 0.744487 K\n0.667226 0.321164 0.754480 K\n0.332774 0.678836 0.254480 K\n0.832774 0.821164 0.254480 K\n0.167226 0.178836 0.754480 K\n0.833402 0.188509 0.766164 K\n0.166598 0.811491 0.266164 K\n0.666598 0.688509 0.266164 K\n0.333402 0.311491 0.766164 K\n0.000489 0.321731 0.698200 K\n0.999511 0.678269 0.198200 K\n0.499511 0.821731 0.198200 K\n0.500489 0.178269 0.698200 K\n0.573532 0.903842 0.726455 Zn\n0.426468 0.096158 0.226455 Zn\n0.926468 0.403842 0.226455 Zn\n0.073532 0.596158 0.726455 Zn\n0.746432 0.589558 0.726048 Zn\n0.253568 0.410442 0.226048 Zn\n0.753568 0.089558 0.226048 Zn\n0.246432 0.910442 0.726048 Zn\n0.904918 0.920092 0.722281 Zn\n0.095082 0.079908 0.222281 Zn\n0.595082 0.420092 0.222281 Zn\n0.404918 0.579908 0.722281 Zn\n0.659654 0.577401 0.678345 Cl\n0.340346 0.422599 0.178345 Cl\n0.840346 0.077401 0.178345 Cl\n0.159654 0.922599 0.678345 Cl\n0.823130 0.934500 0.682474 Cl\n0.176870 0.065500 0.182474 Cl\n0.676870 0.434500 0.182474 Cl\n0.323130 0.565500 0.682474 Cl\n0.992198 0.557249 0.822314 Cl\n0.007802 0.442751 0.322314 Cl\n0.507802 0.057249 0.322314 Cl\n0.492198 0.942751 0.822314 Cl\n0.616822 0.074204 0.692654 Cl\n0.383178 0.925796 0.192654 Cl\n0.883178 0.574204 0.192654 Cl\n0.116822 0.425796 0.692654 Cl\n0.779153 0.420147 0.840839 Cl\n0.220847 0.579853 0.340839 Cl\n0.720847 0.920147 0.340839 Cl\n0.279153 0.079853 0.840839 Cl\n0.944181 0.084853 0.696257 Cl\n0.055819 0.915147 0.196257 Cl\n0.555819 0.584853 0.196257 Cl\n0.444181 0.415147 0.696257 Cl\n0.610047 0.859190 0.026835 Cl\n0.389953 0.140810 0.526835 Cl\n0.889953 0.359190 0.526835 Cl\n0.110047 0.640810 0.026835 Cl\n0.755729 0.705968 0.985259 Cl\n0.244271 0.294032 0.485259 Cl\n0.744271 0.205968 0.485259 Cl\n0.255729 0.794032 0.985259 Cl\n0.930610 0.851838 0.998687 Cl\n0.069390 0.148162 0.498687 Cl\n0.569390 0.351838 0.498687 Cl\n0.430610 0.648162 0.998687 Cl\n0.563329 0.308102 0.000482 Cl\n0.436671 0.691898 0.500482 Cl\n0.936671 0.808102 0.500482 Cl\n0.063329 0.191898 0.000482 Cl\n",
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{
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"structure_string": "K8 Be4 Si16 O40\n1.0\n9.875719 0.000000 0.000000\n0.000000 7.045637 0.000000\n0.000000 6.114029 13.943284\nK Be Si O\n8 4 16 40\ndirect\n0.078184 0.107476 0.133130 K\n0.578184 0.892524 0.366870 K\n0.124510 0.134035 0.407900 K\n0.421816 0.107476 0.633130 K\n0.875490 0.865965 0.592100 K\n0.375490 0.134035 0.907900 K\n0.921816 0.892524 0.866870 K\n0.624510 0.865965 0.092100 K\n0.635566 0.150736 0.804767 Be\n0.364434 0.849264 0.195233 Be\n0.135566 0.849264 0.695233 Be\n0.864434 0.150736 0.304767 Be\n0.783611 0.352139 0.630056 Si\n0.765382 0.333796 0.933297 Si\n0.216389 0.647861 0.369944 Si\n0.951543 0.558467 0.170586 Si\n0.283611 0.647861 0.869944 Si\n0.574016 0.703305 0.833779 Si\n0.425984 0.296695 0.166221 Si\n0.925984 0.703305 0.333779 Si\n0.074016 0.296695 0.666221 Si\n0.265382 0.666204 0.566703 Si\n0.716389 0.352139 0.130056 Si\n0.734618 0.333796 0.433297 Si\n0.048457 0.441533 0.829414 Si\n0.451543 0.441533 0.329414 Si\n0.234618 0.666204 0.066703 Si\n0.548457 0.558467 0.670586 Si\n0.929484 0.334676 0.910490 O\n0.422712 0.276390 0.279162 O\n0.433857 0.074864 0.162531 O\n0.066143 0.074864 0.662531 O\n0.765477 0.179455 0.736205 O\n0.713192 0.576899 0.885439 O\n0.429484 0.665324 0.589510 O\n0.570516 0.334676 0.410490 O\n0.577288 0.723610 0.720838 O\n0.440988 0.559738 0.888724 O\n0.922712 0.723610 0.220838 O\n0.320404 0.824770 0.095575 O\n0.259176 0.744717 0.448617 O\n0.740824 0.255283 0.551383 O\n0.240824 0.744717 0.948617 O\n0.679596 0.175230 0.904425 O\n0.070516 0.665324 0.089510 O\n0.812174 0.562450 0.107485 O\n0.820404 0.175230 0.404425 O\n0.516682 0.325408 0.743566 O\n0.234523 0.820545 0.263795 O\n0.483318 0.674592 0.256434 O\n0.759176 0.255283 0.051383 O\n0.687826 0.562450 0.607485 O\n0.312174 0.437550 0.392515 O\n0.933857 0.925136 0.337469 O\n0.786808 0.576899 0.385439 O\n0.940988 0.440262 0.611276 O\n0.286808 0.423101 0.114561 O\n0.734523 0.179455 0.236205 O\n0.559012 0.440262 0.111276 O\n0.077288 0.276390 0.779162 O\n0.265477 0.820545 0.763795 O\n0.983318 0.325408 0.243566 O\n0.213192 0.423101 0.614561 O\n0.179596 0.824770 0.595575 O\n0.059012 0.559738 0.388724 O\n0.016682 0.674592 0.756434 O\n0.187826 0.437550 0.892515 O\n0.566143 0.925136 0.837469 O\n",
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{
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{
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