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{
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{
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{
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"structure_string": "Cs12 La4 O12\n1.0\n7.828003 0.000000 0.000000\n0.000000 8.639810 0.000000\n0.000000 1.005026 12.438027\nCs La O\n12 4 12\ndirect\n0.339657 0.347642 0.075542 Cs\n0.619818 0.942035 0.156448 Cs\n0.821468 0.381459 0.194677 Cs\n0.321468 0.618541 0.305323 Cs\n0.119818 0.057965 0.343552 Cs\n0.839657 0.652358 0.424458 Cs\n0.160343 0.347642 0.575542 Cs\n0.880182 0.942035 0.656448 Cs\n0.678532 0.381459 0.694677 Cs\n0.178532 0.618541 0.805323 Cs\n0.380182 0.057965 0.843552 Cs\n0.660343 0.652358 0.924458 Cs\n0.090113 0.834708 0.070326 La\n0.590113 0.165292 0.429674 La\n0.409887 0.834708 0.570326 La\n0.909887 0.165292 0.929674 La\n0.355730 0.748867 0.043313 O\n0.052607 0.103429 0.093543 O\n0.942102 0.693457 0.196207 O\n0.442102 0.306543 0.303793 O\n0.552607 0.896571 0.406457 O\n0.855730 0.251133 0.456687 O\n0.144270 0.748867 0.543313 O\n0.447393 0.103429 0.593543 O\n0.557898 0.693457 0.696207 O\n0.057898 0.306543 0.803793 O\n0.947393 0.896571 0.906457 O\n0.644270 0.251133 0.956687 O\n",
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"formula_full": "Cs12 La4 O12",
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},
{
"id": "mp-1189645",
"created_at": "2022-09-04T14:40:10.671725Z",
"structure_string": "Tb7 Rh1 Br12\n1.0\n5.528418 -7.495578 0.000000\n5.528418 7.495578 0.000000\n-4.634288 0.000000 8.079014\nTb Rh Br\n7 1 12\ndirect\n0.310635 0.102827 0.026112 Tb\n0.026112 0.310635 0.102827 Tb\n0.102827 0.026112 0.310635 Tb\n0.689365 0.897173 0.973888 Tb\n0.973888 0.689365 0.897173 Tb\n0.897173 0.973888 0.689365 Tb\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Rh\n0.679960 0.219599 0.072289 Br\n0.072289 0.679960 0.219599 Br\n0.219599 0.072289 0.679960 Br\n0.320040 0.780401 0.927711 Br\n0.927711 0.320040 0.780401 Br\n0.780401 0.927711 0.320040 Br\n0.468143 0.170399 0.390310 Br\n0.390310 0.468143 0.170399 Br\n0.170399 0.390310 0.468143 Br\n0.531857 0.829601 0.609690 Br\n0.609690 0.531857 0.829601 Br\n0.829601 0.609690 0.531857 Br\n",
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"formula_full": "Tb7 Rh1 Br12",
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{
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"created_at": "2022-09-04T14:40:10.673675Z",
"structure_string": "Dy4 Zr4 O14\n1.0\n0.000000 5.293411 5.293411\n5.293411 0.000000 5.293411\n5.293411 5.293411 0.000000\nDy Zr O\n4 4 14\ndirect\n0.625000 0.625000 0.625000 Dy\n0.125000 0.625000 0.625000 Dy\n0.625000 0.125000 0.625000 Dy\n0.625000 0.625000 0.125000 Dy\n0.125000 0.125000 0.625000 Zr\n0.125000 0.625000 0.125000 Zr\n0.625000 0.125000 0.125000 Zr\n0.125000 0.125000 0.125000 Zr\n0.500000 0.500000 0.500000 O\n0.750000 0.750000 0.750000 O\n0.216108 0.783892 0.783892 O\n0.216108 0.216108 0.783892 O\n0.783892 0.216108 0.783892 O\n0.783892 0.783892 0.216108 O\n0.216108 0.783892 0.216108 O\n0.466108 0.033892 0.033892 O\n0.783892 0.216108 0.216108 O\n0.033892 0.466108 0.033892 O\n0.466108 0.033892 0.466108 O\n0.466108 0.466108 0.033892 O\n0.033892 0.033892 0.466108 O\n0.033892 0.466108 0.466108 O\n",
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"elements": [
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},
{
"id": "mp-849704",
"created_at": "2022-09-04T14:40:10.674707Z",
"structure_string": "Li2 Fe8 B8 O24\n1.0\n-5.237586 0.000000 0.000000\n-0.162376 -9.137951 0.000000\n2.610372 4.482300 10.087767\nLi Fe B O\n2 8 8 24\ndirect\n0.286521 0.273803 0.903942 Li\n0.764842 0.750945 0.158395 Li\n0.016702 0.349718 0.370896 Fe\n0.267226 0.931618 0.881282 Fe\n0.480038 0.151968 0.623752 Fe\n0.251057 0.557696 0.137146 Fe\n0.770125 0.445560 0.879500 Fe\n0.510753 0.850797 0.379149 Fe\n0.975866 0.647418 0.628159 Fe\n0.747658 0.069017 0.125946 Fe\n0.023082 0.685123 0.379685 B\n0.266991 0.600376 0.873411 B\n0.471960 0.816168 0.631752 B\n0.233685 0.888035 0.125456 B\n0.529669 0.189650 0.377934 B\n0.768558 0.109416 0.876270 B\n0.975720 0.316356 0.630032 B\n0.730991 0.397250 0.121901 B\n0.029302 0.096689 0.876157 O\n0.119886 0.706522 0.830570 O\n0.143064 0.496781 0.910691 O\n0.141854 0.204897 0.644239 O\n0.033840 0.420509 0.576512 O\n0.241491 0.830971 0.677539 O\n0.261112 0.676096 0.344339 O\n0.529504 0.597666 0.881738 O\n0.625641 0.223701 0.837731 O\n0.469739 0.079793 0.429751 O\n0.364813 0.303238 0.373192 O\n0.631003 0.018022 0.916229 O\n0.352232 0.971318 0.069974 O\n0.633297 0.700472 0.634757 O\n0.531671 0.926052 0.581202 O\n0.398024 0.792521 0.178348 O\n0.465264 0.377987 0.097167 O\n0.743463 0.331543 0.674704 O\n0.760682 0.175168 0.335803 O\n0.961561 0.581284 0.433151 O\n0.849156 0.788730 0.355663 O\n0.847042 0.504550 0.082468 O\n0.892210 0.308538 0.178426 O\n0.977779 0.893551 0.128966 O\n",
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{
"id": "mp-1235966",
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"structure_string": "Li1 Pr2 Ta2 Cl2 O7\n1.0\n3.930359 0.000263 -1.008910\n-0.718140 6.416837 -2.797710\n-0.023008 -0.034509 8.070309\nLi Pr Ta Cl O\n1 2 2 2 7\ndirect\n0.477523 0.470416 0.955728 Li\n0.296774 0.819717 0.594195 Pr\n0.678108 0.128550 0.356943 Pr\n0.952884 0.166616 0.906314 Ta\n0.022965 0.781743 0.046552 Ta\n0.667431 0.538054 0.335301 Cl\n0.308223 0.412829 0.616612 Cl\n0.446490 0.160394 0.893563 O\n0.528700 0.788011 0.058036 O\n0.906468 0.825605 0.813865 O\n0.986070 0.473350 0.972611 O\n0.811490 0.042896 0.623700 O\n0.069532 0.123876 0.139445 O\n0.164008 0.906833 0.328801 O\n",
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{
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"structure_string": "Ba4 Fe8 Se12\n1.0\n5.424690 0.000000 0.000000\n0.000000 9.198872 0.000000\n0.000000 0.000000 12.160433\nBa Fe Se\n4 8 12\ndirect\n0.250000 0.520540 0.185465 Ba\n0.750000 0.479460 0.814535 Ba\n0.750000 0.020540 0.314535 Ba\n0.250000 0.979460 0.685465 Ba\n0.999917 0.360993 0.494543 Fe\n0.499917 0.639007 0.505457 Fe\n0.000083 0.860993 0.005457 Fe\n0.500083 0.139007 0.994543 Fe\n0.000083 0.639007 0.505457 Fe\n0.500083 0.360993 0.494543 Fe\n0.999917 0.139007 0.994543 Fe\n0.499917 0.860993 0.005457 Fe\n0.250000 0.231221 0.361376 Se\n0.750000 0.768779 0.638624 Se\n0.750000 0.731221 0.138624 Se\n0.250000 0.268779 0.861376 Se\n0.250000 0.490567 0.632457 Se\n0.750000 0.509433 0.367543 Se\n0.750000 0.990567 0.867543 Se\n0.250000 0.009433 0.132457 Se\n0.250000 0.810524 0.402438 Se\n0.750000 0.189476 0.597562 Se\n0.750000 0.310524 0.097562 Se\n0.250000 0.689476 0.902438 Se\n",
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{
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{
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"structure_string": "Mg4 Si8\n1.0\n1.875963 5.150437 0.000000\n-1.875963 5.150437 0.000000\n0.000000 2.799616 11.834124\nMg Si\n4 8\ndirect\n0.111790 0.111790 0.130894 Mg\n0.438483 0.438483 0.843272 Mg\n0.587594 0.587594 0.603395 Mg\n0.190304 0.190304 0.379574 Mg\n0.729264 0.729264 0.896671 Si\n0.366441 0.366441 0.164198 Si\n0.915343 0.915343 0.319662 Si\n0.294552 0.294552 0.594002 Si\n0.869491 0.869491 0.035255 Si\n0.089679 0.089679 0.913277 Si\n0.858922 0.858922 0.695483 Si\n0.468908 0.468908 0.424097 Si\n",
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{
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],
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"formula_full": "Li12 Mn2 V6 P12 O48",
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},
{
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"structure_string": "Li12 Fe12 F36\n1.0\n5.801413 0.000000 0.000000\n2.866883 5.058915 0.000000\n0.016674 0.008072 23.269511\nLi Fe F\n12 12 36\ndirect\n0.324221 0.678926 0.376524 Li\n0.677035 0.004674 0.376277 Li\n0.663103 0.995980 0.873207 Li\n0.996423 0.675293 0.623531 Li\n0.004354 0.665765 0.127256 Li\n0.665693 0.337928 0.127406 Li\n0.334307 0.662072 0.872594 Li\n0.995646 0.334235 0.872744 Li\n0.003577 0.324707 0.376469 Li\n0.336897 0.004020 0.126793 Li\n0.322965 0.995326 0.623723 Li\n0.675779 0.321074 0.623476 Li\n0.666820 0.664713 0.014671 Fe\n0.665035 0.661612 0.762122 Fe\n0.003326 0.004064 0.239550 Fe\n0.668255 0.673282 0.267776 Fe\n0.666803 0.666362 0.515908 Fe\n0.333197 0.333638 0.484092 Fe\n0.331745 0.326718 0.732224 Fe\n0.996674 0.995936 0.760450 Fe\n0.334965 0.338388 0.237878 Fe\n0.333180 0.335287 0.985329 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.379926 0.953906 0.211507 F\n0.296500 0.050216 0.038876 F\n0.354743 0.694621 0.960395 F\n0.324362 0.622508 0.788284 F\n0.685111 0.958243 0.462610 F\n0.664274 0.054219 0.287742 F\n0.672316 0.665706 0.356068 F\n0.668058 0.662509 0.607125 F\n0.997307 0.998772 0.615787 F\n0.997524 0.997914 0.862726 F\n0.666895 0.665352 0.856040 F\n0.668144 0.674272 0.103693 F\n0.703416 0.339939 0.711414 F\n0.955226 0.679994 0.212075 F\n0.637590 0.312531 0.537762 F\n0.056477 0.643625 0.039300 F\n0.955042 0.705704 0.712045 F\n0.045997 0.642497 0.537449 F\n0.954003 0.357503 0.462551 F\n0.044958 0.294296 0.287955 F\n0.943523 0.356375 0.960700 F\n0.362410 0.687469 0.462238 F\n0.044774 0.320006 0.787925 F\n0.296584 0.660061 0.288586 F\n0.331856 0.325728 0.896307 F\n0.333105 0.334648 0.143960 F\n0.002476 0.002086 0.137274 F\n0.002693 0.001228 0.384213 F\n0.331942 0.337491 0.392875 F\n0.327684 0.334294 0.643932 F\n0.335726 0.945781 0.712258 F\n0.314889 0.041757 0.537390 F\n0.675638 0.377492 0.211716 F\n0.645257 0.305379 0.039605 F\n0.703500 0.949784 0.961124 F\n0.620074 0.046094 0.788493 F\n",
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]
}