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{
"id": "mp-1223043",
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"structure_string": "La4 Nd4 S4 O7\n1.0\n4.029225 6.891029 0.000000\n-4.029225 6.891029 0.000000\n0.000000 6.890248 6.981590\nLa Nd S O\n4 4 4 7\ndirect\n0.188355 0.188355 0.833430 La\n0.694491 0.694491 0.821157 La\n0.175447 0.694692 0.339583 La\n0.694692 0.175447 0.339583 La\n0.802468 0.301200 0.666901 Nd\n0.301200 0.802468 0.666901 Nd\n0.296154 0.296154 0.166921 Nd\n0.801778 0.801778 0.165974 Nd\n0.993608 0.498146 0.000289 S\n0.498146 0.993608 0.000289 S\n0.498055 0.498055 0.498096 S\n0.000465 0.000465 0.501409 S\n0.011623 0.011623 0.834539 O\n0.513123 0.513123 0.839182 O\n0.514008 0.020639 0.329873 O\n0.020639 0.514008 0.329873 O\n0.976112 0.472453 0.667447 O\n0.472453 0.976112 0.667447 O\n0.975864 0.975864 0.164456 O\n",
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{
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"formula_full": "K3 Na1",
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"spacegroup": 225
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{
"id": "mp-862844",
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"structure_string": "Pa2 Al6\n1.0\n3.146959 -5.450692 0.000000\n3.146959 5.450692 0.000000\n0.000000 0.000000 4.581354\nPa Al\n2 6\ndirect\n0.333333 0.666667 0.750000 Pa\n0.666667 0.333333 0.250000 Pa\n0.148453 0.296907 0.250000 Al\n0.703093 0.851547 0.250000 Al\n0.148453 0.851547 0.250000 Al\n0.851547 0.703093 0.750000 Al\n0.296907 0.148453 0.750000 Al\n0.851547 0.148453 0.750000 Al\n",
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"elements": [
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{
"id": "mp-759669",
"created_at": "2022-09-04T14:43:41.621416Z",
"structure_string": "Mn12 O2 F22\n1.0\n3.700871 3.788338 0.000000\n-3.700871 3.788338 0.000000\n0.000000 1.162620 15.611201\nMn O F\n12 2 22\ndirect\n0.047047 0.047047 0.993983 Mn\n0.005182 0.502691 0.834470 Mn\n0.037941 0.037941 0.660701 Mn\n0.995022 0.486109 0.502291 Mn\n0.012738 0.012738 0.335752 Mn\n0.011763 0.519286 0.165768 Mn\n0.502691 0.005182 0.834470 Mn\n0.474749 0.474749 0.992122 Mn\n0.500402 0.500402 0.333665 Mn\n0.486109 0.995022 0.502291 Mn\n0.467365 0.467365 0.661099 Mn\n0.519286 0.011763 0.165768 Mn\n0.252566 0.252566 0.920025 O\n0.242345 0.242345 0.585362 O\n0.211233 0.211233 0.752518 F\n0.181466 0.763420 0.922309 F\n0.233445 0.233445 0.413472 F\n0.181789 0.750912 0.592231 F\n0.215422 0.215422 0.088557 F\n0.224188 0.779749 0.251219 F\n0.322311 0.711902 0.758491 F\n0.271910 0.728672 0.423888 F\n0.327641 0.720983 0.086931 F\n0.283642 0.283642 0.246674 F\n0.720983 0.327641 0.086931 F\n0.728672 0.271910 0.423888 F\n0.711902 0.322311 0.758491 F\n0.687730 0.687730 0.901040 F\n0.685779 0.685779 0.572258 F\n0.720468 0.720468 0.238980 F\n0.750912 0.181789 0.592231 F\n0.763420 0.181466 0.922309 F\n0.779749 0.224188 0.251219 F\n0.769611 0.769611 0.409837 F\n0.837979 0.837979 0.075306 F\n0.834544 0.834544 0.743449 F\n",
"nsites": 36,
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"elements": [
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"density": 4.207730274076269,
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"formula_full": "Mn12 O2 F22",
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"spacegroup": 8
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{
"id": "mp-1077098",
"created_at": "2022-09-04T14:43:41.639420Z",
"structure_string": "Hg6\n1.0\n6.483430 0.000000 0.000000\n0.000000 6.074048 0.000000\n0.000000 2.490036 5.728988\nHg\n6\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.357274 0.583110 0.260136 Hg\n0.857274 0.416890 0.239864 Hg\n0.642726 0.416890 0.739864 Hg\n0.142726 0.583110 0.760136 Hg\n",
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"spacegroup": 14
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{
"id": "mp-755384",
"created_at": "2022-09-04T14:43:41.699598Z",
"structure_string": "La12 Ti12 Cr4 O48\n1.0\n-0.008623 5.529292 7.841733\n-11.062443 -0.002550 0.011178\n5.520095 -5.532489 7.839233\nLa Ti Cr O\n12 12 4 48\ndirect\n0.390016 0.192782 0.869813 La\n0.890084 0.442834 0.369840 La\n0.390064 0.692790 0.869799 La\n0.890090 0.942824 0.369824 La\n0.619534 0.318012 0.130247 La\n0.119509 0.567976 0.630207 La\n0.619520 0.818008 0.130259 La\n0.119510 0.067968 0.630195 La\n0.863027 0.941396 0.878220 La\n0.363044 0.191372 0.378226 La\n0.863041 0.441399 0.878228 La\n0.363055 0.691379 0.378209 La\n0.251434 0.882010 0.756423 Ti\n0.751451 0.132027 0.256436 Ti\n0.251428 0.382016 0.756430 Ti\n0.751458 0.632024 0.256441 Ti\n0.494435 0.999326 0.997869 Ti\n0.994457 0.249347 0.497887 Ti\n0.494425 0.499314 0.997861 Ti\n0.994470 0.749338 0.497878 Ti\n0.008434 0.256276 0.007727 Ti\n0.508452 0.506259 0.507720 Ti\n0.008438 0.756280 0.007722 Ti\n0.508449 0.006258 0.507714 Ti\n0.249771 0.374476 0.248134 Cr\n0.749698 0.624563 0.748274 Cr\n0.249791 0.874472 0.248121 Cr\n0.749666 0.124561 0.748271 Cr\n0.371264 0.970556 0.875766 O\n0.871263 0.220551 0.375765 O\n0.371267 0.470560 0.875766 O\n0.871262 0.720555 0.375766 O\n0.384190 0.188775 0.633172 O\n0.884197 0.438795 0.133175 O\n0.384189 0.688775 0.633170 O\n0.884197 0.938797 0.133175 O\n0.615054 0.311758 0.865516 O\n0.115030 0.561747 0.365483 O\n0.615058 0.811748 0.865516 O\n0.115025 0.061731 0.365500 O\n0.152406 0.291955 0.869748 O\n0.652402 0.541955 0.369756 O\n0.152409 0.791952 0.869745 O\n0.652402 0.041956 0.369751 O\n0.379584 0.412353 0.098805 O\n0.879669 0.662252 0.598691 O\n0.379588 0.912352 0.098802 O\n0.879668 0.162246 0.598683 O\n0.618249 0.039269 0.627089 O\n0.118298 0.289258 0.127060 O\n0.618276 0.539299 0.627110 O\n0.118285 0.789248 0.127047 O\n0.379335 0.469316 0.370748 O\n0.879294 0.719266 0.870816 O\n0.379332 0.969318 0.370750 O\n0.879298 0.219301 0.870794 O\n0.633603 0.085172 0.904516 O\n0.133575 0.335185 0.404515 O\n0.633605 0.585163 0.904513 O\n0.133578 0.835179 0.404505 O\n0.846816 0.184285 0.111861 O\n0.346818 0.434280 0.611856 O\n0.846807 0.684290 0.111874 O\n0.346802 0.934286 0.611872 O\n0.393598 0.193505 0.149222 O\n0.893600 0.443494 0.649218 O\n0.393601 0.693508 0.149223 O\n0.893587 0.943496 0.649224 O\n0.596756 0.294290 0.357296 O\n0.096761 0.544286 0.857294 O\n0.596734 0.794291 0.357309 O\n0.096762 0.044284 0.857293 O\n0.626719 0.533308 0.123550 O\n0.126721 0.783288 0.623523 O\n0.626720 0.033292 0.123524 O\n0.126721 0.283306 0.623549 O\n",
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"formula_full": "La12 Ti12 Cr4 O48",
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{
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"structure_string": "U3 H2 O10\n1.0\n5.563018 0.000000 0.000000\n1.675715 5.655962 0.000000\n2.341561 1.500691 6.996296\nU H O\n3 2 10\ndirect\n0.000000 0.000000 0.000000 U\n0.551402 0.440240 0.750584 U\n0.448598 0.559760 0.249416 U\n0.886634 0.312812 0.405838 H\n0.113366 0.687188 0.594162 H\n0.899789 0.078171 0.769359 O\n0.100211 0.921829 0.230641 O\n0.696333 0.327254 0.451404 O\n0.303667 0.672746 0.548596 O\n0.302575 0.687527 0.958761 O\n0.697425 0.312473 0.041239 O\n0.692027 0.760970 0.145035 O\n0.307973 0.239030 0.854965 O\n0.792619 0.627499 0.655389 O\n0.207381 0.372501 0.344611 O\n",
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{
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"structure_string": "Th4 Si4 O16\n1.0\n7.025454 0.000000 0.000000\n0.000000 6.556195 0.000000\n0.000000 4.754168 6.610968\nTh Si O\n4 4 16\ndirect\n0.653000 0.187511 0.215876 Th\n0.153000 0.812489 0.284124 Th\n0.347000 0.812489 0.784124 Th\n0.847000 0.187511 0.715876 Th\n0.661549 0.690903 0.198214 Si\n0.161549 0.309097 0.301786 Si\n0.338451 0.309097 0.801786 Si\n0.838451 0.690903 0.698214 Si\n0.997061 0.173618 0.252387 O\n0.497061 0.826382 0.247613 O\n0.002939 0.826382 0.747613 O\n0.502939 0.173618 0.752387 O\n0.712685 0.398890 0.380786 O\n0.212685 0.601110 0.119214 O\n0.287315 0.601110 0.619214 O\n0.787315 0.398890 0.880786 O\n0.660580 0.892372 0.611494 O\n0.160580 0.107628 0.888506 O\n0.339420 0.107628 0.388506 O\n0.839420 0.892372 0.111494 O\n0.896442 0.651889 0.522546 O\n0.396442 0.348111 0.977454 O\n0.103558 0.348111 0.477454 O\n0.603558 0.651889 0.022546 O\n",
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{
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{
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{
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}