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{
"id": "mp-1112103",
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{
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"structure_string": "Ca10 Sn6 H2\n1.0\n-4.095231 4.095231 7.473988\n4.095231 -4.095231 7.473988\n4.095231 4.095231 -7.473988\nCa Sn H\n10 6 2\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.510142 0.010142 0.824464 Ca\n0.185678 0.685678 0.175536 Ca\n0.010142 0.185678 0.500000 Ca\n0.685678 0.510142 0.500000 Ca\n0.489858 0.989858 0.175536 Ca\n0.814322 0.314322 0.824464 Ca\n0.989858 0.814322 0.500000 Ca\n0.314322 0.489858 0.500000 Ca\n0.250000 0.250000 0.000000 Sn\n0.750000 0.750000 0.000000 Sn\n0.872729 0.372729 0.245459 Sn\n0.127271 0.627271 0.754541 Sn\n0.372729 0.127271 0.500000 Sn\n0.627271 0.872729 0.500000 Sn\n0.250000 0.750000 0.500000 H\n0.750000 0.250000 0.500000 H\n",
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{
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"structure_string": "Rb8 Au8 C16 N16\n1.0\n4.666327 9.260577 0.000000\n-4.666327 9.260577 0.000000\n0.000000 3.987401 13.297605\nRb Au C N\n8 8 16 16\ndirect\n0.422308 0.227908 0.982695 Rb\n0.772092 0.577692 0.517305 Rb\n0.227908 0.422308 0.482695 Rb\n0.483837 0.010641 0.316290 Rb\n0.577692 0.772092 0.017305 Rb\n0.516163 0.989359 0.683710 Rb\n0.989359 0.516163 0.183710 Rb\n0.010641 0.483837 0.816290 Rb\n0.513007 0.486993 0.750000 Au\n0.135239 0.832184 0.576983 Au\n0.864761 0.167816 0.423017 Au\n0.832184 0.135239 0.076983 Au\n0.099718 0.900282 0.250000 Au\n0.486993 0.513007 0.250000 Au\n0.900282 0.099718 0.750000 Au\n0.167816 0.864761 0.923017 Au\n0.600837 0.584292 0.794847 C\n0.022938 0.225006 0.404674 C\n0.584292 0.600837 0.294847 C\n0.314480 0.860634 0.558153 C\n0.003010 0.219400 0.687732 C\n0.139366 0.685520 0.941847 C\n0.977062 0.774994 0.595326 C\n0.860634 0.314480 0.058153 C\n0.219400 0.003010 0.187732 C\n0.685520 0.139366 0.441847 C\n0.415708 0.399163 0.705153 C\n0.996990 0.780600 0.312268 C\n0.225006 0.022938 0.904674 C\n0.774994 0.977062 0.095326 C\n0.399163 0.415708 0.205153 C\n0.780600 0.996990 0.812268 C\n0.730264 0.892781 0.106054 N\n0.297857 0.054836 0.150393 N\n0.645795 0.649089 0.320859 N\n0.892781 0.730264 0.606054 N\n0.350911 0.354205 0.179141 N\n0.649089 0.645795 0.820859 N\n0.867140 0.426734 0.047471 N\n0.426734 0.867140 0.547471 N\n0.573266 0.132860 0.452529 N\n0.269736 0.107219 0.893946 N\n0.702143 0.945164 0.849607 N\n0.107219 0.269736 0.393946 N\n0.354205 0.350911 0.679141 N\n0.945164 0.702143 0.349607 N\n0.054836 0.297857 0.650393 N\n0.132860 0.573266 0.952529 N\n",
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"formula_full": "Rb8 Au8 C16 N16",
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{
"id": "mp-1047025",
"created_at": "2022-09-04T14:40:18.421014Z",
"structure_string": "Zn6 Bi12 O24\n1.0\n6.765089 0.000000 0.000000\n3.110283 6.033588 0.000000\n0.682462 0.449492 16.512893\nZn Bi O\n6 12 24\ndirect\n0.847993 0.347355 0.041449 Zn\n0.143865 0.650569 0.338733 Zn\n0.321164 0.821856 0.196828 Zn\n0.837648 0.340399 0.663610 Zn\n0.999170 0.503419 0.503575 Zn\n0.649365 0.152259 0.809542 Zn\n0.842766 0.833905 0.165329 Bi\n0.517922 0.022005 0.373039 Bi\n0.508099 0.006598 0.998558 Bi\n0.334988 0.344066 0.164798 Bi\n0.499783 0.505987 0.499702 Bi\n0.168997 0.671689 0.717192 Bi\n0.000964 0.003543 0.500152 Bi\n0.143748 0.159149 0.833871 Bi\n0.826466 0.326715 0.286106 Bi\n0.657390 0.645127 0.834250 Bi\n0.487136 0.987260 0.616622 Bi\n0.137756 0.634905 0.963721 Bi\n0.719123 0.666230 0.077586 O\n0.480734 0.976971 0.239918 O\n0.167796 0.217709 0.077319 O\n0.671108 0.172811 0.073319 O\n0.278389 0.389992 0.425141 O\n0.016449 0.518160 0.252015 O\n0.169402 0.668509 0.585969 O\n0.451267 0.527137 0.262295 O\n0.868394 0.789885 0.422669 O\n0.198932 0.697382 0.104835 O\n0.345116 0.848705 0.423142 O\n0.027373 0.949928 0.262919 O\n0.950055 0.056965 0.745877 O\n0.669849 0.174076 0.580134 O\n0.110435 0.210207 0.579143 O\n0.548527 0.456813 0.745775 O\n0.857139 0.359621 0.918454 O\n0.827220 0.326213 0.418249 O\n0.982891 0.479518 0.748961 O\n0.715188 0.611847 0.580309 O\n0.314019 0.809847 0.914561 O\n0.806236 0.872006 0.899711 O\n0.497896 0.002202 0.747216 O\n0.374442 0.303588 0.898926 O\n",
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{
"id": "mp-774217",
"created_at": "2022-09-04T14:40:16.315256Z",
"structure_string": "Na13 Ti24 O54\n1.0\n8.859649 0.000000 0.000000\n2.955563 10.733921 0.000000\n1.490799 2.537267 11.359938\nNa Ti O\n13 24 54\ndirect\n0.572403 0.305424 0.859443 Na\n0.937967 0.302909 0.856839 Na\n0.180355 0.595342 0.727225 Na\n0.843587 0.604240 0.725364 Na\n0.512066 0.602935 0.727345 Na\n0.530552 0.098956 0.716138 Na\n0.165703 0.099148 0.716945 Na\n0.159899 0.900360 0.282930 Na\n0.485847 0.405129 0.273522 Na\n0.154950 0.397849 0.271558 Na\n0.822161 0.397576 0.275099 Na\n0.092549 0.694827 0.141594 Na\n0.717176 0.705710 0.146591 Na\n0.999358 0.002488 0.999012 Ti\n0.667239 0.998686 0.001962 Ti\n0.334195 0.997839 0.001145 Ti\n0.495878 0.508197 0.009076 Ti\n0.171607 0.491775 0.990587 Ti\n0.832856 0.502446 0.000376 Ti\n0.916116 0.814445 0.876207 Ti\n0.583431 0.811555 0.877950 Ti\n0.249751 0.808031 0.879635 Ti\n0.944154 0.883072 0.572779 Ti\n0.614345 0.875394 0.566373 Ti\n0.280059 0.877216 0.569667 Ti\n0.448268 0.374105 0.554222 Ti\n0.116474 0.376613 0.554563 Ti\n0.782727 0.373373 0.557905 Ti\n0.218382 0.624370 0.447334 Ti\n0.883919 0.627418 0.443748 Ti\n0.549630 0.625821 0.442385 Ti\n0.721538 0.119546 0.428158 Ti\n0.389181 0.117940 0.426531 Ti\n0.052067 0.125553 0.431717 Ti\n0.749117 0.187334 0.123751 Ti\n0.418685 0.187849 0.121664 Ti\n0.082236 0.192141 0.120363 Ti\n0.111654 0.694045 0.939039 O\n0.777568 0.695388 0.940209 O\n0.446056 0.694283 0.939540 O\n0.046835 0.942317 0.850158 O\n0.709200 0.943949 0.849284 O\n0.375273 0.945259 0.848657 O\n0.357285 0.489011 0.890416 O\n0.020829 0.487015 0.888211 O\n0.691161 0.483006 0.893014 O\n0.798962 0.126671 0.955788 O\n0.130697 0.123600 0.950967 O\n0.468563 0.123093 0.954623 O\n0.953367 0.780527 0.726110 O\n0.617487 0.783722 0.725519 O\n0.284325 0.781431 0.726477 O\n0.735820 0.991002 0.592943 O\n0.402912 0.991191 0.594187 O\n0.072623 0.991690 0.595252 O\n0.615218 0.319324 0.657371 O\n0.287244 0.312067 0.653089 O\n0.952529 0.318928 0.657316 O\n0.385885 0.552267 0.570445 O\n0.721375 0.551915 0.569750 O\n0.055368 0.552698 0.571041 O\n0.152604 0.783673 0.512740 O\n0.821601 0.778481 0.518422 O\n0.487709 0.778127 0.517408 O\n0.514200 0.217121 0.486128 O\n0.179868 0.217517 0.487061 O\n0.844877 0.222326 0.482272 O\n0.279323 0.446013 0.430713 O\n0.611420 0.446294 0.431607 O\n0.947915 0.446064 0.432381 O\n0.051711 0.678931 0.344322 O\n0.719658 0.672018 0.344103 O\n0.379891 0.680286 0.346750 O\n0.931625 0.010026 0.408448 O\n0.595306 0.009156 0.407406 O\n0.260433 0.009297 0.406525 O\n0.714132 0.220287 0.273753 O\n0.381050 0.219784 0.273009 O\n0.048679 0.218953 0.273194 O\n0.867928 0.873587 0.042840 O\n0.534692 0.876082 0.041465 O\n0.198525 0.876284 0.046848 O\n0.309309 0.511119 0.109209 O\n0.975303 0.516434 0.107321 O\n0.645606 0.513211 0.112092 O\n0.622016 0.060049 0.148393 O\n0.285458 0.059627 0.147178 O\n0.958897 0.058667 0.149325 O\n0.554275 0.305753 0.061655 O\n0.221754 0.305570 0.059755 O\n0.888429 0.305403 0.059129 O\n",
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{
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"structure_string": "Sr12 Ta4 O22\n1.0\n8.567321 0.000000 0.000000\n0.000000 8.567321 0.000000\n0.000000 0.000000 8.546433\nSr Ta O\n12 4 22\ndirect\n0.750633 0.250633 0.722700 Sr\n0.500000 0.000000 0.529791 Sr\n0.500000 0.500000 0.000000 Sr\n0.749367 0.750633 0.277300 Sr\n0.000000 0.500000 0.470209 Sr\n0.249367 0.749367 0.722700 Sr\n0.250633 0.750633 0.277300 Sr\n0.000000 0.000000 0.000000 Sr\n0.249367 0.250633 0.722700 Sr\n0.250633 0.249367 0.277300 Sr\n0.749367 0.249367 0.277300 Sr\n0.750633 0.749367 0.722700 Sr\n0.000000 0.500000 0.027385 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.972615 Ta\n0.500000 0.500000 0.500000 Ta\n0.765355 0.000000 0.492227 O\n0.500000 0.265355 0.492227 O\n0.500000 0.500000 0.728236 O\n0.265355 0.500000 0.507773 O\n0.500000 0.782302 0.899167 O\n0.000000 0.500000 0.803587 O\n0.500000 0.000000 0.196413 O\n0.000000 0.717698 0.100833 O\n0.282302 0.000000 0.899167 O\n0.000000 0.765355 0.507773 O\n0.234645 0.000000 0.492227 O\n0.000000 0.000000 0.271764 O\n0.000000 0.000000 0.728236 O\n0.000000 0.234645 0.507773 O\n0.000000 0.282302 0.100833 O\n0.717698 0.000000 0.899167 O\n0.500000 0.217698 0.899167 O\n0.782302 0.500000 0.100833 O\n0.734645 0.500000 0.507773 O\n0.500000 0.500000 0.271764 O\n0.500000 0.734645 0.492227 O\n0.217698 0.500000 0.100833 O\n",
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{
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{
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"structure_string": "Yb4 Si4 Pd4\n1.0\n4.420876 0.000000 0.000000\n0.000000 7.104762 0.000000\n0.000000 0.000000 7.194739\nYb Si Pd\n4 4 4\ndirect\n0.250000 0.493887 0.184208 Yb\n0.750000 0.506113 0.815792 Yb\n0.750000 0.006113 0.684208 Yb\n0.250000 0.993887 0.315792 Yb\n0.250000 0.805579 0.896471 Si\n0.750000 0.194421 0.103529 Si\n0.750000 0.694421 0.396471 Si\n0.250000 0.305579 0.603529 Si\n0.250000 0.659447 0.575734 Pd\n0.750000 0.340553 0.424266 Pd\n0.750000 0.840553 0.075734 Pd\n0.250000 0.159447 0.924266 Pd\n",
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