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{
"id": "mp-1187133",
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"structure_string": "Sr6 Fe2\n1.0\n3.925924 -6.799900 0.000000\n3.925924 6.799900 0.000000\n0.000000 0.000000 5.887357\nSr Fe\n6 2\ndirect\n0.178342 0.356684 0.250000 Sr\n0.643316 0.821658 0.250000 Sr\n0.178342 0.821658 0.250000 Sr\n0.821658 0.643316 0.750000 Sr\n0.356684 0.178342 0.750000 Sr\n0.821658 0.178342 0.750000 Sr\n0.333333 0.666667 0.750000 Fe\n0.666667 0.333333 0.250000 Fe\n",
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{
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{
"id": "mp-1202754",
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"structure_string": "Ho30 C40\n1.0\n8.066647 0.000000 0.000000\n0.000000 8.066647 0.000000\n0.000000 0.000000 15.922187\nHo C\n30 40\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.187585 Ho\n0.000000 0.000000 0.687585 Ho\n0.500000 0.500000 0.812415 Ho\n0.000000 0.000000 0.312415 Ho\n0.702623 0.904784 0.500000 Ho\n0.297377 0.095216 0.500000 Ho\n0.797377 0.404784 0.000000 Ho\n0.202623 0.595216 0.000000 Ho\n0.904784 0.297377 0.500000 Ho\n0.095216 0.702623 0.500000 Ho\n0.404784 0.202623 0.000000 Ho\n0.595216 0.797377 0.000000 Ho\n0.788150 0.600604 0.353481 Ho\n0.211850 0.399396 0.353481 Ho\n0.711850 0.100604 0.853481 Ho\n0.288150 0.899396 0.853481 Ho\n0.600604 0.211850 0.353481 Ho\n0.399396 0.788150 0.353481 Ho\n0.100604 0.288150 0.853481 Ho\n0.899396 0.711850 0.853481 Ho\n0.211850 0.399396 0.646519 Ho\n0.788150 0.600604 0.646519 Ho\n0.288150 0.899396 0.146519 Ho\n0.711850 0.100604 0.146519 Ho\n0.399396 0.788150 0.646519 Ho\n0.600604 0.211850 0.646519 Ho\n0.899396 0.711850 0.146519 Ho\n0.100604 0.288150 0.146519 Ho\n0.500000 0.500000 0.958947 C\n0.000000 0.000000 0.458947 C\n0.500000 0.500000 0.041053 C\n0.000000 0.000000 0.541053 C\n0.500000 0.500000 0.343855 C\n0.000000 0.000000 0.843855 C\n0.500000 0.500000 0.656145 C\n0.000000 0.000000 0.156145 C\n0.606834 0.196539 0.500000 C\n0.393166 0.803461 0.500000 C\n0.893166 0.696539 0.000000 C\n0.106834 0.303461 0.000000 C\n0.196539 0.393166 0.500000 C\n0.803461 0.606834 0.500000 C\n0.696539 0.106834 0.000000 C\n0.303461 0.893166 0.000000 C\n0.691914 0.900905 0.327882 C\n0.308086 0.099095 0.327882 C\n0.808086 0.400905 0.827882 C\n0.191914 0.599095 0.827882 C\n0.900905 0.308086 0.327882 C\n0.099095 0.691914 0.327882 C\n0.400905 0.191914 0.827882 C\n0.599095 0.808086 0.827882 C\n0.308086 0.099095 0.672118 C\n0.691914 0.900905 0.672118 C\n0.191914 0.599095 0.172118 C\n0.808086 0.400905 0.172118 C\n0.099095 0.691914 0.672118 C\n0.900905 0.308086 0.672118 C\n0.599095 0.808086 0.172118 C\n0.400905 0.191914 0.172118 C\n0.649456 0.850544 0.250000 C\n0.350544 0.149456 0.250000 C\n0.850544 0.350544 0.750000 C\n0.149456 0.649456 0.750000 C\n0.850544 0.350544 0.250000 C\n0.149456 0.649456 0.250000 C\n0.350544 0.149456 0.750000 C\n0.649456 0.850544 0.750000 C\n",
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"formula_full": "Ho30 C40",
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"spacegroup": 128
},
{
"id": "mp-694044",
"created_at": "2022-09-04T14:39:30.852608Z",
"structure_string": "Na6 Ca14 Ta6 Ti14 O60\n1.0\n5.456538 0.000000 0.000000\n-0.007797 5.546068 0.000000\n-0.012805 -0.038141 38.667313\nNa Ca Ta Ti O\n6 14 6 14 60\ndirect\n0.008887 0.962863 0.348611 Na\n0.017224 0.966295 0.747570 Na\n0.007600 0.979641 0.950702 Na\n0.484288 0.465055 0.148220 Na\n0.490545 0.470871 0.547175 Na\n0.490462 0.486091 0.951331 Na\n0.006167 0.951146 0.148323 Ca\n0.007992 0.954155 0.547494 Ca\n0.484982 0.459301 0.347666 Ca\n0.501889 0.464214 0.746759 Ca\n0.504430 0.541357 0.052232 Ca\n0.503753 0.537890 0.252280 Ca\n0.516910 0.542063 0.651394 Ca\n0.505167 0.531434 0.451866 Ca\n0.512094 0.537415 0.850301 Ca\n0.983594 0.047052 0.051613 Ca\n0.986028 0.049297 0.252146 Ca\n0.987464 0.038352 0.451982 Ca\n0.995653 0.047543 0.651503 Ca\n0.991723 0.052039 0.850429 Ca\n0.492453 0.010392 0.000737 Ta\n0.497547 0.000343 0.199759 Ta\n0.499177 0.994949 0.399251 Ta\n0.502784 0.007105 0.599187 Ta\n0.496080 0.006331 0.901071 Ta\n0.501518 0.001463 0.798114 Ta\n0.002830 0.513168 0.000125 Ti\n0.983512 0.499880 0.099912 Ti\n0.997487 0.497837 0.199058 Ti\n0.987093 0.511348 0.299472 Ti\n0.996853 0.499141 0.399066 Ti\n0.987369 0.497038 0.499580 Ti\n0.009449 0.503121 0.598913 Ti\n0.018870 0.501089 0.700945 Ti\n0.006719 0.508167 0.800108 Ti\n0.999963 0.510820 0.902931 Ti\n0.480501 0.998326 0.101590 Ti\n0.483066 0.001034 0.300969 Ti\n0.484237 0.996553 0.500471 Ti\n0.514355 0.002336 0.698888 Ti\n0.078610 0.482593 0.050355 O\n0.080129 0.481609 0.249898 O\n0.081465 0.481088 0.449804 O\n0.081613 0.481366 0.649208 O\n0.082556 0.481809 0.848669 O\n0.202893 0.204746 0.192640 O\n0.209808 0.206925 0.107388 O\n0.226026 0.218652 0.307021 O\n0.222682 0.217285 0.392379 O\n0.214117 0.209709 0.506730 O\n0.199290 0.200336 0.592325 O\n0.219715 0.219518 0.706677 O\n0.215372 0.208328 0.792603 O\n0.209615 0.212133 0.905758 O\n0.208292 0.214240 0.993986 O\n0.286641 0.712072 0.192424 O\n0.294635 0.712093 0.307146 O\n0.287413 0.719149 0.107744 O\n0.296447 0.704048 0.391803 O\n0.284793 0.712720 0.591829 O\n0.281510 0.722949 0.507028 O\n0.290202 0.711846 0.707061 O\n0.284971 0.711638 0.906565 O\n0.302700 0.699695 0.791779 O\n0.281400 0.713742 0.993902 O\n0.416626 0.980502 0.050847 O\n0.419561 0.980500 0.250245 O\n0.417983 0.978585 0.649873 O\n0.419327 0.978063 0.449769 O\n0.417168 0.976790 0.849540 O\n0.580897 0.019760 0.349729 O\n0.582604 0.021291 0.150146 O\n0.581642 0.019584 0.549635 O\n0.580144 0.018218 0.749212 O\n0.575292 0.013219 0.950473 O\n0.714370 0.280480 0.010088 O\n0.718136 0.284556 0.091033 O\n0.718945 0.286286 0.292122 O\n0.711803 0.286773 0.210368 O\n0.710951 0.285216 0.609973 O\n0.719910 0.281696 0.409226 O\n0.721781 0.277079 0.490583 O\n0.718191 0.277086 0.890248 O\n0.712424 0.282998 0.691759 O\n0.715319 0.284688 0.808713 O\n0.776861 0.777661 0.009962 O\n0.789842 0.785735 0.092493 O\n0.792579 0.790676 0.208379 O\n0.790387 0.781202 0.409619 O\n0.788209 0.787211 0.608081 O\n0.787214 0.781215 0.290886 O\n0.783380 0.779431 0.492083 O\n0.779671 0.782392 0.690597 O\n0.791179 0.783761 0.809448 O\n0.779338 0.777443 0.890462 O\n0.928666 0.516138 0.150841 O\n0.923327 0.513988 0.350677 O\n0.930686 0.514833 0.550221 O\n0.927015 0.514548 0.750144 O\n0.926965 0.515595 0.950053 O\n",
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},
{
"id": "mp-1002181",
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"structure_string": "Tc1 N1\n1.0\n0.000000 2.295397 2.295397\n2.295397 0.000000 2.295397\n2.295397 2.295397 0.000000\nTc N\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 N\n",
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{
"id": "mp-1203978",
"created_at": "2022-09-04T14:39:30.848102Z",
"structure_string": "Sb12 Se24 N12 Cl96\n1.0\n7.421857 0.000000 0.000000\n0.000000 15.403432 0.000000\n0.000000 0.000000 38.992101\nSb Se N Cl\n12 24 12 96\ndirect\n0.844381 0.442240 0.738133 Sb\n0.344381 0.557760 0.261867 Sb\n0.344381 0.057760 0.238133 Sb\n0.844381 0.942240 0.761867 Sb\n0.222991 0.982939 0.589861 Sb\n0.722991 0.017061 0.410139 Sb\n0.722991 0.517061 0.089861 Sb\n0.222991 0.482939 0.910139 Sb\n0.346349 0.492479 0.580503 Sb\n0.846349 0.507521 0.419497 Sb\n0.846349 0.007521 0.080503 Sb\n0.346349 0.992479 0.919497 Sb\n0.386230 0.634659 0.695864 Se\n0.886230 0.365341 0.304136 Se\n0.886230 0.865341 0.195864 Se\n0.386230 0.134659 0.804136 Se\n0.264122 0.723917 0.763432 Se\n0.764122 0.276083 0.236568 Se\n0.764122 0.776083 0.263432 Se\n0.264122 0.223917 0.736568 Se\n0.846740 0.674793 0.532460 Se\n0.346740 0.325207 0.467540 Se\n0.346740 0.825207 0.032460 Se\n0.846740 0.174793 0.967540 Se\n0.716150 0.795552 0.593625 Se\n0.216150 0.204448 0.406375 Se\n0.216150 0.704448 0.093625 Se\n0.716150 0.295552 0.906375 Se\n0.694614 0.171956 0.566682 Se\n0.194614 0.828044 0.433318 Se\n0.194614 0.328044 0.066682 Se\n0.694614 0.671956 0.933318 Se\n0.845542 0.307235 0.618803 Se\n0.345542 0.692765 0.381197 Se\n0.345542 0.192765 0.118803 Se\n0.845542 0.807235 0.881197 Se\n0.363797 0.639478 0.739782 N\n0.863797 0.360522 0.260218 N\n0.863797 0.860522 0.239782 N\n0.363797 0.139478 0.760218 N\n0.824212 0.707795 0.574395 N\n0.324212 0.292205 0.425605 N\n0.324212 0.792205 0.074395 N\n0.824212 0.207795 0.925605 N\n0.802061 0.269261 0.578042 N\n0.302061 0.730739 0.421958 N\n0.302061 0.230739 0.078042 N\n0.802061 0.769261 0.921958 N\n0.275805 0.758271 0.677985 Cl\n0.775805 0.241729 0.322015 Cl\n0.775805 0.741729 0.177985 Cl\n0.275805 0.258271 0.822015 Cl\n0.281205 0.669254 0.814050 Cl\n0.781205 0.330746 0.185950 Cl\n0.781205 0.830746 0.314050 Cl\n0.281205 0.169254 0.685950 Cl\n0.714551 0.772066 0.500747 Cl\n0.214551 0.227934 0.499253 Cl\n0.214551 0.727934 0.000747 Cl\n0.714551 0.272066 0.999253 Cl\n0.769661 0.767020 0.646653 Cl\n0.269661 0.232980 0.353347 Cl\n0.269661 0.732980 0.146653 Cl\n0.769661 0.267020 0.853347 Cl\n0.718706 0.180812 0.511816 Cl\n0.218706 0.819188 0.488184 Cl\n0.218706 0.319188 0.011816 Cl\n0.718706 0.680812 0.988184 Cl\n0.743679 0.206245 0.652661 Cl\n0.243679 0.793755 0.347339 Cl\n0.243679 0.293755 0.152661 Cl\n0.743679 0.706245 0.847339 Cl\n0.892433 0.584049 0.713141 Cl\n0.392433 0.415951 0.286859 Cl\n0.392433 0.915951 0.213141 Cl\n0.892433 0.084049 0.786859 Cl\n0.024329 0.380649 0.691103 Cl\n0.524329 0.619351 0.308897 Cl\n0.524329 0.119351 0.191103 Cl\n0.024329 0.880649 0.808897 Cl\n0.791317 0.296805 0.759161 Cl\n0.291317 0.703195 0.240839 Cl\n0.291317 0.203195 0.259161 Cl\n0.791317 0.796805 0.740839 Cl\n0.677896 0.503061 0.784624 Cl\n0.177896 0.496939 0.215376 Cl\n0.177896 0.996939 0.284624 Cl\n0.677896 0.003061 0.715376 Cl\n0.121548 0.451570 0.769427 Cl\n0.621548 0.548430 0.230573 Cl\n0.621548 0.048430 0.269427 Cl\n0.121548 0.951570 0.730573 Cl\n0.572921 0.429587 0.703770 Cl\n0.072921 0.570413 0.296230 Cl\n0.072921 0.070413 0.203770 Cl\n0.572921 0.929587 0.796230 Cl\n0.215233 0.140083 0.592146 Cl\n0.715233 0.859917 0.407854 Cl\n0.715233 0.359917 0.092146 Cl\n0.215233 0.640083 0.907854 Cl\n0.439660 0.992453 0.543529 Cl\n0.939660 0.007547 0.456471 Cl\n0.939660 0.507547 0.043529 Cl\n0.439660 0.492453 0.956471 Cl\n0.236467 0.826261 0.585823 Cl\n0.736467 0.173739 0.414177 Cl\n0.736467 0.673739 0.085823 Cl\n0.236467 0.326261 0.914177 Cl\n0.011825 0.976430 0.635933 Cl\n0.511825 0.023570 0.364067 Cl\n0.511825 0.523570 0.135933 Cl\n0.011825 0.476430 0.864067 Cl\n0.473715 0.980323 0.629387 Cl\n0.973715 0.019677 0.370613 Cl\n0.973715 0.519677 0.129387 Cl\n0.473715 0.480323 0.870613 Cl\n0.978605 0.982539 0.548859 Cl\n0.478605 0.017461 0.451141 Cl\n0.478605 0.517461 0.048859 Cl\n0.978605 0.482539 0.951141 Cl\n0.342502 0.359612 0.613437 Cl\n0.842502 0.640388 0.386563 Cl\n0.842502 0.140388 0.113437 Cl\n0.342502 0.859612 0.886563 Cl\n0.153450 0.561921 0.621878 Cl\n0.653450 0.438079 0.378122 Cl\n0.653450 0.938079 0.121878 Cl\n0.153450 0.061921 0.878122 Cl\n0.356010 0.623472 0.546337 Cl\n0.856010 0.376528 0.453663 Cl\n0.856010 0.876528 0.046337 Cl\n0.356010 0.123472 0.953663 Cl\n0.540485 0.422973 0.538749 Cl\n0.040485 0.577027 0.461251 Cl\n0.040485 0.077027 0.038749 Cl\n0.540485 0.922973 0.961251 Cl\n0.607953 0.539349 0.612092 Cl\n0.107953 0.460651 0.387908 Cl\n0.107953 0.960651 0.112092 Cl\n0.607953 0.039349 0.887908 Cl\n0.082044 0.446628 0.549611 Cl\n0.582044 0.553372 0.450389 Cl\n0.582044 0.053372 0.049611 Cl\n0.082044 0.946628 0.950389 Cl\n",
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"elements": [
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