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{
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{
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{
"id": "mp-1196745",
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"structure_string": "Sr16 As16 O56\n1.0\n7.248858 0.000000 0.000000\n0.000000 7.248858 0.000000\n0.000000 0.000000 26.119487\nSr As O\n16 16 56\ndirect\n0.227356 0.732987 0.676675 Sr\n0.772644 0.267013 0.176675 Sr\n0.732987 0.772644 0.926675 Sr\n0.267013 0.227356 0.426675 Sr\n0.346458 0.973344 0.823178 Sr\n0.653542 0.026656 0.323178 Sr\n0.973344 0.653542 0.073178 Sr\n0.026656 0.346458 0.573178 Sr\n0.395603 0.846460 0.178936 Sr\n0.604397 0.153540 0.678936 Sr\n0.846460 0.604397 0.428936 Sr\n0.153540 0.395603 0.928936 Sr\n0.258070 0.623400 0.314374 Sr\n0.741930 0.376600 0.814374 Sr\n0.623400 0.741930 0.564374 Sr\n0.376600 0.258070 0.064374 Sr\n0.233777 0.854296 0.946694 As\n0.766223 0.145704 0.446694 As\n0.854296 0.766223 0.196694 As\n0.145704 0.233777 0.696694 As\n0.482063 0.778530 0.048844 As\n0.517937 0.221470 0.548844 As\n0.778530 0.517937 0.298844 As\n0.221470 0.482063 0.798844 As\n0.105147 0.812693 0.541458 As\n0.894853 0.187307 0.041458 As\n0.812693 0.894853 0.791458 As\n0.187307 0.105147 0.291458 As\n0.355137 0.750231 0.439970 As\n0.644863 0.249769 0.939970 As\n0.750231 0.644863 0.689970 As\n0.249769 0.355137 0.189970 As\n0.329633 0.542747 0.221545 O\n0.670367 0.457253 0.721545 O\n0.542747 0.670367 0.471545 O\n0.457253 0.329633 0.971545 O\n0.388591 0.907991 0.392517 O\n0.611409 0.092009 0.892517 O\n0.907991 0.611409 0.642517 O\n0.092009 0.388591 0.142517 O\n0.215280 0.579246 0.416777 O\n0.784720 0.420754 0.916777 O\n0.579246 0.784720 0.666777 O\n0.420754 0.215280 0.166777 O\n0.225171 0.892609 0.484126 O\n0.774829 0.107391 0.984126 O\n0.892609 0.774829 0.734126 O\n0.107391 0.225171 0.234126 O\n0.263365 0.700405 0.578459 O\n0.736635 0.299595 0.078459 O\n0.700405 0.736635 0.828459 O\n0.299595 0.263365 0.328459 O\n0.367576 0.924801 0.001652 O\n0.632424 0.075199 0.501652 O\n0.924801 0.632424 0.251652 O\n0.075199 0.367576 0.751652 O\n0.378254 0.726998 0.908760 O\n0.621746 0.273002 0.408760 O\n0.726998 0.621746 0.158760 O\n0.273002 0.378254 0.658760 O\n0.344227 0.943080 0.271176 O\n0.655773 0.056920 0.771176 O\n0.943080 0.655773 0.521176 O\n0.056920 0.344227 0.021176 O\n0.302427 0.675593 0.770425 O\n0.697573 0.324407 0.270425 O\n0.675593 0.697573 0.020425 O\n0.324407 0.302427 0.520425 O\n0.053661 0.514411 0.843354 O\n0.946339 0.485589 0.343354 O\n0.514411 0.946339 0.093354 O\n0.485589 0.053661 0.593354 O\n0.001521 0.999663 0.566218 O\n0.998479 0.000337 0.066218 O\n0.999663 0.998479 0.816218 O\n0.000337 0.001521 0.316218 O\n0.332422 0.615788 0.071131 O\n0.667578 0.384212 0.571131 O\n0.615788 0.667578 0.321131 O\n0.384212 0.332422 0.821131 O\n0.056049 0.717435 0.967322 O\n0.943951 0.282565 0.467322 O\n0.717435 0.943951 0.217322 O\n0.282565 0.056049 0.717322 O\n0.052194 0.831258 0.167781 O\n0.947806 0.168742 0.667781 O\n0.831258 0.947806 0.417781 O\n0.168742 0.052194 0.917781 O\n",
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"formula_full": "Sr16 As16 O56",
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"updated_at": "2021-11-28T01:38:23.325000Z",
"spacegroup": 78
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{
"id": "mp-1212591",
"created_at": "2022-09-04T14:48:02.927877Z",
"structure_string": "Rb8 Ni12 Se8\n1.0\n10.865114 0.000000 0.000000\n5.432557 5.623184 0.000000\n5.432557 0.000000 15.947178\nRb Ni Se\n8 12 8\ndirect\n0.600369 0.131248 0.113777 Rb\n0.285854 0.868752 0.113777 Rb\n0.268382 0.131248 0.886223 Rb\n0.149631 0.368752 0.386223 Rb\n0.845394 0.868752 0.886223 Rb\n0.464146 0.631248 0.386223 Rb\n0.481618 0.368752 0.613777 Rb\n0.904606 0.631248 0.613777 Rb\n0.614155 0.327895 0.759629 Ni\n0.626216 0.672105 0.759629 Ni\n0.057949 0.327895 0.240371 Ni\n0.135845 0.172105 0.740371 Ni\n0.701680 0.672105 0.240371 Ni\n0.123784 0.827895 0.740371 Ni\n0.692051 0.172105 0.259629 Ni\n0.048320 0.827895 0.259629 Ni\n0.875000 0.250000 0.250000 Ni\n0.875000 0.750000 0.250000 Ni\n0.875000 0.250000 0.750000 Ni\n0.375000 0.750000 0.750000 Ni\n0.658928 0.481590 0.179838 Se\n0.161234 0.518410 0.179838 Se\n0.859482 0.481590 0.820162 Se\n0.091072 0.018410 0.320162 Se\n0.320356 0.518410 0.820162 Se\n0.588766 0.981590 0.320162 Se\n0.890518 0.018410 0.679838 Se\n0.429644 0.981590 0.679838 Se\n",
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{
"id": "mp-1353529",
"created_at": "2022-09-04T14:48:02.091907Z",
"structure_string": "Na10 Fe4 P4 C4 O28\n1.0\n8.463578 0.000000 0.000000\n-1.931044 8.267849 0.000000\n-3.132713 -4.159930 9.008345\nNa Fe P C O\n10 4 4 4 28\ndirect\n0.955771 0.214990 0.085062 Na\n0.460102 0.730168 0.078627 Na\n0.719276 0.744620 0.271863 Na\n0.989616 0.488109 0.264253 Na\n0.256440 0.249929 0.258600 Na\n0.280724 0.255380 0.728137 Na\n0.743560 0.750071 0.741400 Na\n0.010384 0.511891 0.735747 Na\n0.539898 0.269832 0.921373 Na\n0.044229 0.785010 0.914938 Na\n0.097418 0.841791 0.352263 Fe\n0.588012 0.329498 0.346597 Fe\n0.902582 0.158209 0.647737 Fe\n0.411988 0.670502 0.653403 Fe\n0.776338 0.020706 0.419214 P\n0.264772 0.513914 0.420939 P\n0.735228 0.486086 0.579061 P\n0.223662 0.979294 0.580786 P\n0.196196 0.956979 0.071520 C\n0.713326 0.466519 0.055465 C\n0.803804 0.043021 0.928480 C\n0.286674 0.533481 0.944535 C\n0.755602 0.978781 0.067378 O\n0.220465 0.469951 0.087924 O\n0.282765 0.032263 0.133751 O\n0.794524 0.540399 0.121398 O\n0.057284 0.809171 0.164053 O\n0.567388 0.328104 0.137024 O\n0.441629 0.513832 0.314670 O\n0.773120 0.198377 0.323009 O\n0.954308 0.006902 0.322792 O\n0.232461 0.677962 0.329879 O\n0.732614 0.485543 0.433542 O\n0.220818 0.978270 0.432910 O\n0.105000 0.343496 0.457428 O\n0.616439 0.858626 0.455525 O\n0.383561 0.141374 0.544475 O\n0.895000 0.656504 0.542572 O\n0.267386 0.514457 0.566458 O\n0.779182 0.021730 0.567090 O\n0.226880 0.801623 0.676991 O\n0.558371 0.486168 0.685330 O\n0.767539 0.322038 0.670121 O\n0.045692 0.993098 0.677208 O\n0.942716 0.190829 0.835947 O\n0.432612 0.671896 0.862976 O\n0.717235 0.967737 0.866249 O\n0.205476 0.459601 0.878602 O\n0.244398 0.021219 0.932622 O\n0.779535 0.530049 0.912076 O\n",
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{
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{
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"structure_string": "Tb8 P24 O72\n1.0\n6.805047 11.505894 0.000000\n-6.805047 11.505894 0.000000\n0.000000 1.183801 10.110378\nTb P O\n8 24 72\ndirect\n0.979980 0.252205 0.230413 Tb\n0.747795 0.020020 0.269587 Tb\n0.020020 0.747795 0.769587 Tb\n0.252205 0.979980 0.730413 Tb\n0.484849 0.245432 0.733878 Tb\n0.754568 0.515151 0.766122 Tb\n0.515151 0.754568 0.266122 Tb\n0.245432 0.484849 0.233878 Tb\n0.156308 0.227577 0.937214 P\n0.772423 0.843692 0.562786 P\n0.843692 0.772423 0.062786 P\n0.227577 0.156308 0.437214 P\n0.212623 0.355280 0.567239 P\n0.644720 0.787377 0.932761 P\n0.787377 0.644720 0.432761 P\n0.355280 0.212623 0.067239 P\n0.049191 0.461264 0.793390 P\n0.538736 0.950809 0.706610 P\n0.950809 0.538736 0.206610 P\n0.461264 0.049191 0.293390 P\n0.529216 0.470784 0.250000 P\n0.470784 0.529216 0.750000 P\n0.719891 0.358353 0.050129 P\n0.641647 0.280109 0.449871 P\n0.280109 0.641647 0.949871 P\n0.358353 0.719891 0.550129 P\n0.735667 0.158406 0.926484 P\n0.841594 0.264333 0.573516 P\n0.264333 0.841594 0.073516 P\n0.158406 0.735667 0.426484 P\n0.951746 0.048254 0.750000 P\n0.048254 0.951746 0.250000 P\n0.145050 0.213778 0.330090 O\n0.786222 0.854950 0.169910 O\n0.854950 0.786222 0.669910 O\n0.213778 0.145050 0.830090 O\n0.051712 0.233591 0.013557 O\n0.766409 0.948288 0.486443 O\n0.948288 0.766409 0.986443 O\n0.233591 0.051712 0.513557 O\n0.212172 0.417255 0.436195 O\n0.582745 0.787828 0.063805 O\n0.787828 0.582745 0.563805 O\n0.417255 0.212172 0.936195 O\n0.306994 0.325022 0.656614 O\n0.674978 0.693006 0.843386 O\n0.693006 0.674978 0.343386 O\n0.325022 0.306994 0.156614 O\n0.930383 0.476512 0.816589 O\n0.523488 0.069617 0.683411 O\n0.069617 0.523488 0.183411 O\n0.476512 0.930383 0.316589 O\n0.068513 0.560309 0.812398 O\n0.439691 0.931487 0.687602 O\n0.931487 0.439691 0.187602 O\n0.560309 0.068513 0.312398 O\n0.417577 0.469040 0.270944 O\n0.530960 0.582423 0.229056 O\n0.582423 0.530960 0.729056 O\n0.469040 0.417577 0.770944 O\n0.719821 0.461071 0.975883 O\n0.538929 0.280179 0.524117 O\n0.280179 0.538929 0.024117 O\n0.461071 0.719821 0.475883 O\n0.815900 0.286313 0.138540 O\n0.713687 0.184100 0.361460 O\n0.184100 0.713687 0.861460 O\n0.286313 0.815900 0.638540 O\n0.664139 0.161580 0.819894 O\n0.838420 0.335861 0.680106 O\n0.335861 0.838420 0.180106 O\n0.161580 0.664139 0.319894 O\n0.728586 0.103361 0.060281 O\n0.896640 0.271414 0.439719 O\n0.271414 0.896640 0.939719 O\n0.103360 0.728586 0.560281 O\n0.954015 0.937234 0.732444 O\n0.062766 0.045985 0.767556 O\n0.045985 0.062766 0.267556 O\n0.937234 0.954015 0.232444 O\n0.243106 0.202632 0.048492 O\n0.797368 0.756894 0.451508 O\n0.756894 0.797368 0.951508 O\n0.202632 0.243106 0.548492 O\n0.090177 0.425056 0.643644 O\n0.574944 0.909823 0.856356 O\n0.909823 0.574944 0.356356 O\n0.425056 0.090177 0.143644 O\n0.135602 0.353956 0.882724 O\n0.646044 0.864398 0.617276 O\n0.864398 0.646044 0.117276 O\n0.353956 0.135602 0.382724 O\n0.598146 0.391857 0.128944 O\n0.608143 0.401854 0.371056 O\n0.401854 0.608143 0.871056 O\n0.391857 0.598146 0.628944 O\n0.707082 0.288102 0.940167 O\n0.711898 0.292918 0.559833 O\n0.292918 0.711898 0.059833 O\n0.288102 0.707082 0.440167 O\n0.868443 0.106105 0.876082 O\n0.893895 0.131557 0.623918 O\n0.131557 0.893895 0.123918 O\n0.106105 0.868443 0.376082 O\n",
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