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{
"id": "mp-1186797",
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"structure_string": "Pu1 In1 O3\n1.0\n4.148644 0.000000 0.000000\n0.000000 4.148644 0.000000\n0.000000 0.000000 4.148644\nPu In O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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{
"id": "mp-998946",
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"structure_string": "Tl1 Cd1 Se2\n1.0\n2.057590 -3.563850 0.000000\n2.057590 3.563850 0.000000\n0.000000 0.000000 7.178060\nTl Cd Se\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n0.666667 0.333333 0.776009 Se\n0.333333 0.666667 0.223991 Se\n",
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"volume": 105.27259704930857,
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"formula_full": "Tl1 Cd1 Se2",
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},
{
"id": "mp-1218386",
"created_at": "2022-09-04T14:43:09.239158Z",
"structure_string": "Sr1 Ca1 Cr2 O6\n1.0\n5.491184 0.000000 0.000000\n0.000000 5.491184 0.000000\n0.000000 0.000000 3.791014\nSr Ca Cr O\n1 1 2 6\ndirect\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.254544 0.254544 0.000000 O\n0.745456 0.745456 0.000000 O\n0.254544 0.745456 0.000000 O\n0.745456 0.254544 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 10,
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"formula_full": "Sr1 Ca1 Cr2 O6",
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},
{
"id": "mp-558044",
"created_at": "2022-09-04T14:43:09.331689Z",
"structure_string": "Yb8 Mo4 O24\n1.0\n5.745074 7.877751 0.000000\n-5.745074 7.877751 0.000000\n0.000000 1.628815 5.217170\nYb Mo O\n8 4 24\ndirect\n0.125909 0.874091 0.250000 Yb\n0.787878 0.556630 0.602784 Yb\n0.635316 0.364684 0.250000 Yb\n0.212122 0.443370 0.397216 Yb\n0.443370 0.212122 0.897216 Yb\n0.364684 0.635316 0.750000 Yb\n0.874091 0.125909 0.750000 Yb\n0.556630 0.787878 0.102784 Yb\n0.704989 0.988350 0.421225 Mo\n0.011650 0.295011 0.078775 Mo\n0.988350 0.704989 0.921225 Mo\n0.295011 0.011650 0.578775 Mo\n0.169629 0.656188 0.098736 O\n0.952538 0.887142 0.973114 O\n0.320441 0.877632 0.875157 O\n0.679559 0.122368 0.124843 O\n0.579970 0.568116 0.440985 O\n0.887142 0.952538 0.473114 O\n0.568116 0.579970 0.940985 O\n0.979467 0.567017 0.237688 O\n0.432983 0.020533 0.262312 O\n0.301160 0.188336 0.626137 O\n0.698840 0.811664 0.373863 O\n0.112858 0.047462 0.526886 O\n0.420030 0.431884 0.559015 O\n0.656188 0.169629 0.598736 O\n0.830371 0.343812 0.901264 O\n0.343812 0.830371 0.401264 O\n0.567017 0.979467 0.737688 O\n0.877632 0.320441 0.375157 O\n0.188336 0.301160 0.126137 O\n0.811664 0.698840 0.873863 O\n0.020533 0.432983 0.762312 O\n0.122368 0.679559 0.624843 O\n0.431884 0.420030 0.059015 O\n0.047462 0.112858 0.026886 O\n",
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"elements": [
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"formula_full": "Yb8 Mo4 O24",
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{
"id": "mp-774752",
"created_at": "2022-09-04T14:43:09.163019Z",
"structure_string": "Li8 Mg4 Ti12 O32\n1.0\n8.450350 0.000000 0.000000\n0.000000 8.450350 0.000000\n0.000000 0.000000 8.450350\nLi Mg Ti O\n8 4 12 32\ndirect\n0.002409 0.497591 0.502409 Li\n0.124555 0.875445 0.375445 Li\n0.375445 0.124555 0.875445 Li\n0.497591 0.502409 0.002409 Li\n0.502409 0.002409 0.497591 Li\n0.624555 0.624555 0.624555 Li\n0.875445 0.375445 0.124555 Li\n0.997591 0.997591 0.997591 Li\n0.247069 0.747069 0.752931 Mg\n0.252931 0.252931 0.252931 Mg\n0.747069 0.752931 0.247069 Mg\n0.752931 0.247069 0.747069 Mg\n0.119857 0.626818 0.134164 Ti\n0.126818 0.365836 0.880143 Ti\n0.134164 0.119857 0.626818 Ti\n0.365836 0.880143 0.126818 Ti\n0.373182 0.634164 0.380143 Ti\n0.380143 0.373182 0.634164 Ti\n0.619857 0.873182 0.865836 Ti\n0.626818 0.134164 0.119857 Ti\n0.634164 0.380143 0.373182 Ti\n0.865836 0.619857 0.873182 Ti\n0.873182 0.865836 0.619857 Ti\n0.880143 0.126818 0.365836 Ti\n0.107019 0.128188 0.389460 O\n0.111802 0.611802 0.888198 O\n0.110540 0.892981 0.628188 O\n0.122115 0.144185 0.858909 O\n0.128188 0.389460 0.107019 O\n0.141091 0.622115 0.355815 O\n0.138785 0.361215 0.638785 O\n0.144185 0.858909 0.122115 O\n0.355815 0.141091 0.622115 O\n0.361215 0.638785 0.138785 O\n0.358909 0.377885 0.855815 O\n0.371812 0.610540 0.607019 O\n0.377885 0.855815 0.358909 O\n0.389460 0.107019 0.128188 O\n0.388198 0.388198 0.388198 O\n0.392981 0.871812 0.889460 O\n0.607019 0.371812 0.610540 O\n0.611802 0.888198 0.111802 O\n0.610540 0.607019 0.371812 O\n0.622115 0.355815 0.141091 O\n0.628188 0.110540 0.892981 O\n0.641091 0.877885 0.644185 O\n0.638785 0.138785 0.361215 O\n0.644185 0.641091 0.877885 O\n0.855815 0.358909 0.377885 O\n0.861215 0.861215 0.861215 O\n0.858909 0.122115 0.144185 O\n0.871812 0.889460 0.392981 O\n0.877885 0.644185 0.641091 O\n0.889460 0.392981 0.871812 O\n0.888198 0.111802 0.611802 O\n0.892981 0.628188 0.110540 O\n",
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{
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"structure_string": "Cr2 Cu2 P4 O16\n1.0\n10.092523 -0.001995 -0.493187\n-0.001182 5.927259 0.000993\n-0.237840 0.000846 4.946979\nCr Cu P O\n2 2 4 16\ndirect\n0.211925 0.750084 0.457899 Cr\n0.788127 0.250183 0.542072 Cr\n0.304513 0.249673 0.853901 Cu\n0.695461 0.750067 0.145980 Cu\n0.097654 0.249987 0.389274 P\n0.392982 0.749805 0.945195 P\n0.606979 0.249998 0.054828 P\n0.902349 0.750177 0.610717 P\n0.054281 0.750272 0.659068 O\n0.131127 0.249702 0.705584 O\n0.159534 0.036955 0.268004 O\n0.159404 0.463415 0.268222 O\n0.320713 0.943507 0.763933 O\n0.320535 0.556097 0.764271 O\n0.369510 0.750066 0.241122 O\n0.458040 0.250013 0.095941 O\n0.541913 0.749834 0.903981 O\n0.630439 0.250017 0.758938 O\n0.679227 0.056253 0.235934 O\n0.679337 0.443732 0.235805 O\n0.840678 0.536852 0.732014 O\n0.840593 0.963220 0.732053 O\n0.868888 0.750201 0.294494 O\n0.945791 0.249891 0.340770 O\n",
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{
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"structure_string": "Mg1 Al2 Se4\n1.0\n13.770376 -1.961125 0.000000\n13.770376 1.961125 0.000000\n13.491080 0.000000 3.385266\nMg Al Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.242291 0.242291 0.242291 Al\n0.757709 0.757709 0.757709 Al\n0.701590 0.701590 0.701590 Se\n0.298410 0.298410 0.298410 Se\n0.117119 0.117119 0.117119 Se\n0.882881 0.882881 0.882881 Se\n",
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{
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{
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"structure_string": "Co2 Bi12 S4 O32\n1.0\n5.853016 -2.843005 -5.134780\n5.836930 2.843188 6.238394\n-0.000397 -11.371119 -0.000590\nCo Bi S O\n2 12 4 32\ndirect\n0.999989 0.000068 0.551001 Co\n0.999996 0.999999 0.050768 Co\n0.660311 0.647698 0.559166 Bi\n0.660204 0.647688 0.059144 Bi\n0.339819 0.352241 0.565360 Bi\n0.339736 0.352228 0.065421 Bi\n0.350529 0.692332 0.399250 Bi\n0.350478 0.692328 0.899272 Bi\n0.649564 0.307543 0.228323 Bi\n0.649547 0.307559 0.728341 Bi\n0.671024 0.008131 0.356994 Bi\n0.670893 0.008164 0.857054 Bi\n0.329188 0.991809 0.688392 Bi\n0.329052 0.991846 0.188481 Bi\n0.982408 0.713528 0.771564 S\n0.982437 0.713598 0.271745 S\n0.017577 0.286573 0.406430 S\n0.017495 0.286429 0.906105 S\n0.500057 0.499938 0.439899 O\n0.499898 0.499983 0.939940 O\n0.499994 0.500092 0.680203 O\n0.500008 0.499980 0.180131 O\n0.947731 0.805096 0.415345 O\n0.947752 0.804931 0.915163 O\n0.052065 0.195320 0.487190 O\n0.051891 0.195173 0.986869 O\n0.917489 0.810850 0.710223 O\n0.917584 0.810808 0.210310 O\n0.082374 0.189030 0.264009 O\n0.082332 0.188865 0.763698 O\n0.889938 0.566357 0.765267 O\n0.889950 0.566402 0.265498 O\n0.110274 0.433667 0.427393 O\n0.110229 0.433486 0.927068 O\n0.172557 0.686511 0.703929 O\n0.172603 0.686554 0.204142 O\n0.827443 0.313779 0.447348 O\n0.827374 0.313674 0.946990 O\n0.230545 0.940075 0.527083 O\n0.230413 0.940118 0.027124 O\n0.769643 0.059905 0.172295 O\n0.769488 0.059915 0.672346 O\n0.517477 0.814314 0.518707 O\n0.517394 0.814330 0.018714 O\n0.482667 0.185610 0.370205 O\n0.482573 0.185644 0.870264 O\n0.523993 0.818930 0.765893 O\n0.524131 0.818896 0.265839 O\n0.475916 0.180987 0.118422 O\n0.475968 0.181017 0.618402 O\n",
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],
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"formula_full": "Co2 Bi12 S4 O32",
"formula_reduced": "CoBi6(SO8)2",
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"updated_at": "2021-11-28T01:36:05.383000Z",
"spacegroup": 5
},
{
"id": "mp-849293",
"created_at": "2022-09-04T14:43:08.398100Z",
"structure_string": "Li2 Fe2 P6 H16 O26\n1.0\n7.310769 0.000000 0.000000\n1.777073 7.586547 0.000000\n2.741149 0.479717 9.729873\nLi Fe P H O\n2 2 6 16 26\ndirect\n0.803843 0.814298 0.763574 Li\n0.196157 0.185702 0.236426 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.330234 0.806748 0.744925 P\n0.242865 0.804474 0.477243 P\n0.592187 0.457318 0.728714 P\n0.407813 0.542682 0.271286 P\n0.757135 0.195526 0.522757 P\n0.669766 0.193252 0.255075 P\n0.367005 0.967163 0.960190 H\n0.813977 0.820980 0.430132 H\n0.311645 0.864856 0.101639 H\n0.924502 0.739709 0.205401 H\n0.690444 0.697951 0.398330 H\n0.852788 0.653879 0.007563 H\n0.652431 0.621336 0.005105 H\n0.098094 0.646625 0.086886 H\n0.901906 0.353375 0.913114 H\n0.347569 0.378664 0.994895 H\n0.147212 0.346121 0.992437 H\n0.309556 0.302049 0.601670 H\n0.075498 0.260291 0.794599 H\n0.688355 0.135144 0.898361 H\n0.186023 0.179020 0.569868 H\n0.632995 0.032837 0.039810 H\n0.474854 0.880142 0.788579 O\n0.272239 0.979431 0.051650 O\n0.191810 0.958492 0.385473 O\n0.353100 0.858339 0.581102 O\n0.117924 0.855366 0.818925 O\n0.982437 0.744260 0.104626 O\n0.824198 0.714416 0.383000 O\n0.786637 0.612918 0.947512 O\n0.756434 0.552820 0.669738 O\n0.090750 0.703579 0.559838 O\n0.426430 0.657806 0.391989 O\n0.384854 0.592332 0.747813 O\n0.411620 0.654025 0.141110 O\n0.588380 0.345975 0.858890 O\n0.615146 0.407668 0.252187 O\n0.573570 0.342194 0.608011 O\n0.909250 0.296421 0.440162 O\n0.243566 0.447180 0.330262 O\n0.213363 0.387082 0.052488 O\n0.175802 0.285584 0.617000 O\n0.017563 0.255740 0.895374 O\n0.882076 0.144634 0.181075 O\n0.646900 0.141661 0.418898 O\n0.808190 0.041508 0.614527 O\n0.727761 0.020569 0.948350 O\n0.525146 0.119858 0.211421 O\n",
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"elements": [
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],
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"volume_molar": 6.249739919290588,
"formula_full": "Li2 Fe2 P6 H16 O26",
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"updated_at": "2021-11-28T01:36:02.273000Z",
"spacegroup": 2
}
]
}