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{
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"structure_string": "Li12 Si12 Bi12 O48\n1.0\n5.966679 0.000000 0.000000\n0.000000 8.948948 0.000000\n0.000000 0.000000 21.120764\nLi Si Bi O\n12 12 12 48\ndirect\n0.918475 0.239002 0.994621 Li\n0.418475 0.760998 0.005379 Li\n0.608620 0.745169 0.169907 Li\n0.929863 0.258610 0.162129 Li\n0.429863 0.758610 0.337871 Li\n0.108620 0.245169 0.330093 Li\n0.918475 0.260998 0.494621 Li\n0.418475 0.739002 0.505379 Li\n0.608620 0.754831 0.669907 Li\n0.929863 0.241390 0.662129 Li\n0.429863 0.741390 0.837871 Li\n0.108620 0.254831 0.830093 Li\n0.976907 0.940576 0.079056 Si\n0.540927 0.444753 0.086717 Si\n0.009267 0.553144 0.248335 Si\n0.509267 0.053144 0.251665 Si\n0.040927 0.944753 0.413283 Si\n0.476907 0.440576 0.420944 Si\n0.976907 0.559424 0.579056 Si\n0.540927 0.055247 0.586717 Si\n0.009267 0.946856 0.748335 Si\n0.509267 0.446856 0.751665 Si\n0.040927 0.555247 0.913283 Si\n0.476907 0.059424 0.920944 Si\n0.057256 0.514840 0.076870 Bi\n0.447047 0.022419 0.093604 Bi\n0.028733 0.981105 0.241335 Bi\n0.528733 0.481105 0.258665 Bi\n0.947047 0.522419 0.406396 Bi\n0.557256 0.014840 0.423130 Bi\n0.057256 0.985160 0.576870 Bi\n0.447047 0.477581 0.593604 Bi\n0.028733 0.518895 0.741335 Bi\n0.528733 0.018895 0.758665 Bi\n0.947047 0.977581 0.906396 Bi\n0.557256 0.485160 0.923130 Bi\n0.458881 0.967496 0.987280 O\n0.958881 0.032504 0.012720 O\n0.529271 0.565299 0.027709 O\n0.775901 0.344579 0.081164 O\n0.314421 0.337986 0.080337 O\n0.204659 0.830932 0.078217 O\n0.743902 0.855151 0.098332 O\n0.047329 0.064797 0.134759 O\n0.529840 0.539559 0.152665 O\n0.037396 0.459999 0.182578 O\n0.442764 0.927530 0.196906 O\n0.284376 0.164489 0.253294 O\n0.740166 0.144220 0.231379 O\n0.784376 0.664489 0.246706 O\n0.240166 0.644220 0.268621 O\n0.942764 0.427530 0.303094 O\n0.537396 0.959999 0.317422 O\n0.029840 0.039559 0.347335 O\n0.547329 0.564797 0.365241 O\n0.243902 0.355151 0.401668 O\n0.704659 0.330932 0.421783 O\n0.814421 0.837986 0.419663 O\n0.275901 0.844579 0.418836 O\n0.029271 0.065299 0.472291 O\n0.458881 0.532504 0.487280 O\n0.958881 0.467496 0.512720 O\n0.529271 0.934701 0.527709 O\n0.775901 0.155421 0.581164 O\n0.314421 0.162014 0.580337 O\n0.204659 0.669068 0.578217 O\n0.743902 0.644849 0.598332 O\n0.047329 0.435203 0.634759 O\n0.529840 0.960441 0.652665 O\n0.037396 0.040001 0.682578 O\n0.442764 0.572470 0.696906 O\n0.740166 0.355780 0.731379 O\n0.284376 0.335511 0.753294 O\n0.240166 0.855780 0.768621 O\n0.784376 0.835511 0.746706 O\n0.942764 0.072470 0.803094 O\n0.537396 0.540001 0.817422 O\n0.029840 0.460441 0.847335 O\n0.547329 0.935203 0.865241 O\n0.243902 0.144849 0.901668 O\n0.704659 0.169068 0.921783 O\n0.814421 0.662014 0.919663 O\n0.275901 0.655421 0.918836 O\n0.029271 0.434701 0.972291 O\n",
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"spacegroup": 33
},
{
"id": "mp-510473",
"created_at": "2022-09-04T14:45:28.605776Z",
"structure_string": "Fe4 H36 C12 N28 O8\n1.0\n14.138730 0.000000 0.000000\n0.000000 6.490346 0.000000\n0.000000 0.897047 10.525193\nFe H C N O\n4 36 12 28 8\ndirect\n0.750954 0.972756 0.750598 Fe\n0.250954 0.527244 0.249402 Fe\n0.249046 0.027244 0.249402 Fe\n0.749046 0.472756 0.750598 Fe\n0.516907 0.851297 0.762342 H\n0.016907 0.648703 0.237658 H\n0.483093 0.148703 0.237658 H\n0.983093 0.351297 0.762342 H\n0.493321 0.600345 0.796726 H\n0.993321 0.899655 0.203274 H\n0.506679 0.399655 0.203274 H\n0.006679 0.100345 0.796726 H\n0.481731 0.223136 0.745398 H\n0.981731 0.276864 0.254602 H\n0.518269 0.776864 0.254602 H\n0.018269 0.723136 0.745398 H\n0.357573 0.951137 0.806412 H\n0.857573 0.548863 0.193588 H\n0.642427 0.048863 0.193588 H\n0.142427 0.451137 0.806412 H\n0.407278 0.799253 0.940441 H\n0.907278 0.700747 0.059559 H\n0.592722 0.200747 0.059559 H\n0.092722 0.299253 0.940441 H\n0.325749 0.684005 0.837325 H\n0.825749 0.815995 0.162675 H\n0.674251 0.315995 0.162675 H\n0.174251 0.184005 0.837325 H\n0.382659 0.596577 0.623277 H\n0.882659 0.903423 0.376723 H\n0.617341 0.403423 0.376723 H\n0.117341 0.096577 0.623277 H\n0.498441 0.682240 0.573353 H\n0.998441 0.817760 0.426647 H\n0.501559 0.317760 0.426647 H\n0.001559 0.182240 0.573353 H\n0.405601 0.868105 0.587960 H\n0.905601 0.631895 0.412040 H\n0.594399 0.131895 0.412040 H\n0.094399 0.368105 0.587960 H\n0.559897 0.223025 0.750326 C\n0.059897 0.276975 0.249674 C\n0.440103 0.776975 0.249674 C\n0.940103 0.723025 0.750326 C\n0.382585 0.797456 0.842405 C\n0.882585 0.702544 0.157595 C\n0.617415 0.202544 0.157595 C\n0.117415 0.297456 0.842405 C\n0.435229 0.720030 0.626618 C\n0.935229 0.779970 0.373382 C\n0.564771 0.279970 0.373382 C\n0.064771 0.220030 0.626618 C\n0.728249 0.743234 0.612856 N\n0.228249 0.756766 0.387144 N\n0.271751 0.256766 0.387144 N\n0.771751 0.243234 0.612856 N\n0.695481 0.759028 0.507328 N\n0.195481 0.740972 0.492672 N\n0.304519 0.240972 0.492672 N\n0.804519 0.259028 0.507328 N\n0.663943 0.774375 0.404614 N\n0.163943 0.725625 0.595386 N\n0.336057 0.225625 0.595386 N\n0.836057 0.274375 0.404614 N\n0.721149 0.703270 0.885762 N\n0.221149 0.796730 0.114238 N\n0.278851 0.296730 0.114238 N\n0.778851 0.203270 0.885762 N\n0.659866 0.694837 0.965444 N\n0.159866 0.805163 0.034556 N\n0.340134 0.305163 0.034556 N\n0.840134 0.194837 0.965444 N\n0.600481 0.686718 0.042503 N\n0.100481 0.813282 0.957497 N\n0.399519 0.313282 0.957497 N\n0.899519 0.186718 0.042503 N\n0.462772 0.738714 0.761348 N\n0.962772 0.761286 0.238652 N\n0.537228 0.261286 0.238652 N\n0.037228 0.238714 0.761348 N\n0.600158 0.046754 0.750651 O\n0.100158 0.453246 0.249349 O\n0.399842 0.953246 0.249349 O\n0.899842 0.546754 0.750651 O\n0.599482 0.397226 0.754820 O\n0.099482 0.102774 0.245180 O\n0.400518 0.602774 0.245180 O\n0.900518 0.897226 0.754820 O\n",
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"volume": 965.8469637917967,
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"formula_full": "Fe4 H36 C12 N28 O8",
"formula_reduced": "FeH9C3N7O2",
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{
"id": "mp-540591",
"created_at": "2022-09-04T14:41:47.055720Z",
"structure_string": "Na8 Fe4 H16 C20 N24 O12\n1.0\n6.173650 0.000000 0.000000\n0.000000 11.947176 0.000000\n0.000000 0.000000 15.633413\nNa Fe H C N O\n8 4 16 20 24 12\ndirect\n0.500000 0.500000 0.621232 Na\n0.500000 0.500000 0.378768 Na\n0.000000 0.500000 0.754366 Na\n0.000000 0.000000 0.878768 Na\n0.000000 0.000000 0.121232 Na\n0.500000 0.000000 0.745634 Na\n0.000000 0.500000 0.245634 Na\n0.500000 0.000000 0.254366 Na\n0.999520 0.780454 0.500000 Fe\n0.000480 0.219546 0.500000 Fe\n0.500480 0.280454 0.000000 Fe\n0.499520 0.719546 0.000000 Fe\n0.055256 0.122060 0.726112 H\n0.314398 0.699646 0.288411 H\n0.944744 0.877940 0.726112 H\n0.555256 0.377940 0.226112 H\n0.814398 0.800354 0.211589 H\n0.314398 0.699646 0.711589 H\n0.685602 0.300354 0.711589 H\n0.185602 0.199646 0.788411 H\n0.814398 0.800354 0.788411 H\n0.685602 0.300354 0.288411 H\n0.444744 0.622060 0.773888 H\n0.055256 0.122060 0.273888 H\n0.555256 0.377940 0.773888 H\n0.444744 0.622060 0.226112 H\n0.185602 0.199646 0.211589 H\n0.944744 0.877940 0.273888 H\n0.346016 0.359858 0.911697 C\n0.153984 0.859858 0.588303 C\n0.653984 0.640142 0.088303 C\n0.346016 0.359858 0.088303 C\n0.604442 0.180355 0.087070 C\n0.104442 0.319645 0.412930 C\n0.846016 0.140142 0.588303 C\n0.653984 0.640142 0.911697 C\n0.895558 0.680355 0.587070 C\n0.604442 0.180355 0.912930 C\n0.846016 0.140142 0.411697 C\n0.246713 0.683831 0.500000 C\n0.746713 0.816169 0.000000 C\n0.753287 0.316169 0.500000 C\n0.395558 0.819645 0.087070 C\n0.104442 0.319645 0.587070 C\n0.395558 0.819645 0.912930 C\n0.895558 0.680355 0.412930 C\n0.253287 0.183831 0.000000 C\n0.153984 0.859858 0.411697 C\n0.275076 0.642566 0.000000 N\n0.666444 0.120313 0.858686 N\n0.251726 0.404278 0.855746 N\n0.833556 0.620313 0.358686 N\n0.775076 0.857434 0.500000 N\n0.751726 0.095722 0.355746 N\n0.748274 0.595722 0.855746 N\n0.102319 0.124334 0.000000 N\n0.602319 0.375666 0.500000 N\n0.333556 0.879687 0.141314 N\n0.251726 0.404278 0.144254 N\n0.833556 0.620313 0.641314 N\n0.248274 0.904278 0.644254 N\n0.224924 0.142566 0.500000 N\n0.166444 0.379687 0.641314 N\n0.751726 0.095722 0.644254 N\n0.166444 0.379687 0.358686 N\n0.748274 0.595722 0.144254 N\n0.248274 0.904278 0.355746 N\n0.897681 0.875666 0.000000 N\n0.666444 0.120313 0.141314 N\n0.724924 0.357434 0.000000 N\n0.397681 0.624334 0.500000 N\n0.333556 0.879687 0.858686 N\n0.328625 0.622039 0.269085 O\n0.171375 0.122039 0.230915 O\n0.828625 0.877961 0.769085 O\n0.328625 0.622039 0.730915 O\n0.613611 0.904997 0.500000 O\n0.171375 0.122039 0.769085 O\n0.828625 0.877961 0.230915 O\n0.671375 0.377961 0.269085 O\n0.113611 0.595003 0.000000 O\n0.671375 0.377961 0.730915 O\n0.386389 0.095003 0.500000 O\n0.886389 0.404997 0.000000 O\n",
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},
{
"id": "mp-15560",
"created_at": "2022-09-04T14:48:14.814548Z",
"structure_string": "Ga6 P18 O54\n1.0\n9.614643 6.608542 0.000000\n-9.614643 6.608542 0.000000\n0.000000 5.664558 7.593518\nGa P O\n6 18 54\ndirect\n0.640674 0.817263 0.034691 Ga\n0.817263 0.640674 0.534691 Ga\n0.310791 0.151567 0.031262 Ga\n0.151567 0.310791 0.531262 Ga\n0.492828 0.003439 0.501650 Ga\n0.003439 0.492828 0.001650 Ga\n0.396014 0.334283 0.211051 P\n0.334283 0.396014 0.711051 P\n0.615908 0.559843 0.368605 P\n0.559843 0.615908 0.868605 P\n0.984979 0.948348 0.803888 P\n0.948348 0.984979 0.303888 P\n0.295771 0.665041 0.284393 P\n0.665041 0.295771 0.784393 P\n0.742919 0.017569 0.189025 P\n0.017569 0.742919 0.689025 P\n0.678155 0.075861 0.686348 P\n0.075861 0.678155 0.186348 P\n0.356668 0.650245 0.745704 P\n0.650245 0.356668 0.245704 P\n0.238073 0.965844 0.843531 P\n0.965844 0.238073 0.343531 P\n0.298733 0.907931 0.336851 P\n0.907931 0.298733 0.836851 P\n0.058050 0.681157 0.816823 O\n0.681157 0.058050 0.316823 O\n0.060581 0.096942 0.649754 O\n0.096942 0.060581 0.149754 O\n0.093083 0.313255 0.357035 O\n0.313255 0.093083 0.857035 O\n0.556311 0.369766 0.156682 O\n0.369766 0.556311 0.656682 O\n0.793036 0.406230 0.099042 O\n0.406230 0.793036 0.599042 O\n0.171432 0.627129 0.241576 O\n0.627129 0.171432 0.741576 O\n0.200992 0.823269 0.001113 O\n0.823269 0.200992 0.501113 O\n0.313215 0.973669 0.674070 O\n0.973669 0.313215 0.174070 O\n0.426733 0.001404 0.336789 O\n0.001404 0.426733 0.836789 O\n0.438736 0.758932 0.112832 O\n0.758932 0.438736 0.612832 O\n0.961474 0.838757 0.735632 O\n0.838757 0.961474 0.235632 O\n0.997312 0.709401 0.314901 O\n0.709401 0.997312 0.814901 O\n0.474716 0.676667 0.800306 O\n0.676667 0.474716 0.300306 O\n0.473632 0.427741 0.553972 O\n0.427741 0.473632 0.053972 O\n0.309423 0.203944 0.209363 O\n0.203944 0.309423 0.709363 O\n0.330269 0.329461 0.381071 O\n0.329461 0.330269 0.881071 O\n0.211433 0.567349 0.909795 O\n0.567349 0.211433 0.409795 O\n0.752944 0.276244 0.880929 O\n0.276244 0.752944 0.380929 O\n0.986404 0.566136 0.161226 O\n0.566136 0.986404 0.661226 O\n0.636218 0.577921 0.747704 O\n0.577921 0.636218 0.247704 O\n0.888475 0.842452 0.460400 O\n0.842452 0.888475 0.960400 O\n0.524628 0.260375 0.919206 O\n0.260375 0.524628 0.419206 O\n0.637224 0.910390 0.173250 O\n0.910390 0.637224 0.673250 O\n0.931349 0.080063 0.388489 O\n0.080063 0.931349 0.888489 O\n0.972129 0.296167 0.671747 O\n0.296167 0.972129 0.171747 O\n0.649625 0.721756 0.900384 O\n0.721756 0.649625 0.400384 O\n0.866364 0.157565 0.999443 O\n0.157565 0.866364 0.499443 O\n",
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"formula_full": "Ga6 P18 O54",
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},
{
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