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{
"id": "mp-1173436",
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"structure_string": "Sr19 Cu19 O41\n1.0\n3.569489 0.000000 0.000000\n0.000000 52.994153 52.905102\n0.000000 0.000150 5.568808\nSr Cu O\n19 19 41\ndirect\n0.500000 0.052303 0.503113 Sr\n0.500000 0.105209 0.500496 Sr\n0.500000 0.157840 0.500517 Sr\n0.500000 0.210490 0.500351 Sr\n0.500000 0.263197 0.499667 Sr\n0.500000 0.315759 0.500302 Sr\n0.500000 0.368462 0.499608 Sr\n0.500000 0.421087 0.499658 Sr\n0.500000 0.473748 0.499367 Sr\n0.500000 0.526649 0.496838 Sr\n0.500000 0.580956 0.480935 Sr\n0.500000 0.631702 0.498848 Sr\n0.500000 0.682459 0.516624 Sr\n0.500000 0.738929 0.480186 Sr\n0.500000 0.789499 0.499745 Sr\n0.500000 0.840053 0.519492 Sr\n0.500000 0.896586 0.482430 Sr\n0.500000 0.947224 0.501370 Sr\n0.500000 0.997856 0.520374 Sr\n0.000000 0.001094 0.989624 Cu\n0.000000 0.052492 0.001279 Cu\n0.000000 0.105088 0.001642 Cu\n0.000000 0.210534 0.999952 Cu\n0.000000 0.368422 0.999942 Cu\n0.000000 0.421103 0.999492 Cu\n0.000000 0.473839 0.998500 Cu\n0.000000 0.577862 0.010322 Cu\n0.000000 0.685563 0.987142 Cu\n0.000000 0.735487 0.012844 Cu\n0.000000 0.789481 0.999853 Cu\n0.000000 0.843449 0.987234 Cu\n0.000000 0.947401 0.999718 Cu\n0.000000 0.157867 0.000243 Cu\n0.000000 0.263136 0.000269 Cu\n0.000000 0.315816 0.999773 Cu\n0.000000 0.526431 0.998919 Cu\n0.000000 0.631522 0.000611 Cu\n0.000000 0.893372 0.012931 Cu\n0.000000 0.026834 0.995002 O\n0.000000 0.078863 0.503333 O\n0.000000 0.184198 0.000307 O\n0.000000 0.184199 0.499951 O\n0.000000 0.236873 0.999709 O\n0.000000 0.289468 0.000051 O\n0.000000 0.289470 0.500170 O\n0.000000 0.342091 0.000182 O\n0.000000 0.342089 0.500064 O\n0.000000 0.394753 0.999739 O\n0.000000 0.552089 0.005094 O\n0.000000 0.603073 0.003452 O\n0.000000 0.552088 0.505285 O\n0.000000 0.660229 0.997870 O\n0.000000 0.710559 0.999435 O\n0.000000 0.710555 0.499873 O\n0.000000 0.818133 0.997828 O\n0.000000 0.918697 0.002203 O\n0.000000 0.975905 0.996691 O\n0.000000 0.975904 0.461150 O\n0.500000 0.631655 0.999263 O\n0.500000 0.789471 0.000140 O\n0.500000 0.947305 0.000573 O\n0.000000 0.026838 0.495184 O\n0.000000 0.078863 0.998199 O\n0.000000 0.131594 0.999516 O\n0.000000 0.131595 0.500193 O\n0.000000 0.236871 0.499756 O\n0.000000 0.394756 0.499915 O\n0.000000 0.447361 0.000550 O\n0.000000 0.447361 0.499529 O\n0.000000 0.500067 0.001743 O\n0.000000 0.500066 0.496990 O\n0.000000 0.603070 0.538223 O\n0.000000 0.660232 0.457746 O\n0.000000 0.760815 0.002073 O\n0.000000 0.760815 0.542416 O\n0.000000 0.818132 0.457677 O\n0.000000 0.868411 0.000308 O\n0.000000 0.868411 0.499866 O\n0.000000 0.918697 0.542535 O\n",
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"formula_full": "Sr19 Cu19 O41",
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{
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"structure_string": "Dy3 Y3 Mn6 O18\n1.0\n3.114710 -5.394836 0.000000\n3.114710 5.394836 0.000000\n0.000000 0.000000 11.572400\nDy Y Mn O\n3 3 6 18\ndirect\n0.333333 0.666667 0.230672 Dy\n0.666667 0.333333 0.773776 Dy\n0.666667 0.333333 0.273873 Dy\n0.333333 0.666667 0.731099 Y\n0.000000 0.000000 0.731160 Y\n0.000000 0.000000 0.231353 Y\n0.666549 0.666918 0.499161 Mn\n0.333082 0.999631 0.499161 Mn\n0.000369 0.333451 0.499161 Mn\n0.666648 0.999705 0.999437 Mn\n0.000295 0.666943 0.999437 Mn\n0.333057 0.333352 0.999437 Mn\n0.666597 0.974664 0.835094 O\n0.025336 0.691933 0.835094 O\n0.308067 0.333403 0.835094 O\n0.665907 0.691756 0.334851 O\n0.308244 0.974151 0.334851 O\n0.025849 0.334093 0.334851 O\n0.666706 0.640286 0.663632 O\n0.359714 0.026419 0.663632 O\n0.973581 0.333294 0.663632 O\n0.666233 0.025939 0.163825 O\n0.974061 0.640294 0.163825 O\n0.359706 0.333767 0.163825 O\n0.666667 0.333333 0.974654 O\n0.666667 0.333333 0.474474 O\n0.333333 0.666667 0.519113 O\n0.000000 0.000000 0.518957 O\n0.000000 0.000000 0.019237 O\n0.333333 0.666667 0.019697 O\n",
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"formula_full": "Dy3 Y3 Mn6 O18",
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"spacegroup": 143
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{
"id": "mp-755791",
"created_at": "2022-09-04T14:39:22.087986Z",
"structure_string": "Mn6 O7 F5\n1.0\n4.621239 0.000000 0.000000\n0.135906 5.631253 0.000000\n0.067045 0.511562 7.719631\nMn O F\n6 7 5\ndirect\n0.492951 0.497672 0.997816 Mn\n0.511687 0.825828 0.649474 Mn\n0.506590 0.178338 0.356683 Mn\n0.994050 0.332507 0.671722 Mn\n0.976694 0.650755 0.318297 Mn\n0.007645 0.004098 0.004882 Mn\n0.797623 0.363946 0.444886 O\n0.817166 0.711239 0.092131 O\n0.683656 0.539230 0.765162 O\n0.709274 0.879155 0.429395 O\n0.311245 0.124596 0.567148 O\n0.310702 0.460201 0.235207 O\n0.184407 0.291465 0.902648 O\n0.790366 0.031104 0.780527 F\n0.703485 0.194665 0.124549 F\n0.295482 0.809282 0.876723 F\n0.184916 0.634704 0.548317 F\n0.222062 0.971217 0.234433 F\n",
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"elements": [
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"formula_full": "Mn6 O7 F5",
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"spacegroup": 1
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{
"id": "mp-1326619",
"created_at": "2022-09-04T14:39:13.838163Z",
"structure_string": "Mg4 Mn8 O16\n1.0\n10.316504 0.000000 0.000000\n0.000000 5.154425 0.000000\n0.000000 0.196884 6.022758\nMg Mn O\n4 8 16\ndirect\n0.750000 0.144112 0.246862 Mg\n0.250000 0.855888 0.753138 Mg\n0.250000 0.513997 0.259481 Mg\n0.750000 0.486003 0.740519 Mg\n0.484313 0.488448 0.752298 Mn\n0.015687 0.488448 0.752298 Mn\n0.515687 0.511552 0.247702 Mn\n0.984313 0.511552 0.247702 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.398926 0.142633 0.746363 O\n0.101074 0.142633 0.746363 O\n0.601074 0.857367 0.253637 O\n0.898926 0.857367 0.253637 O\n0.603809 0.764269 0.748903 O\n0.896191 0.764269 0.748903 O\n0.396191 0.235731 0.251097 O\n0.103809 0.235731 0.251097 O\n0.617130 0.314514 0.478643 O\n0.886688 0.309154 0.978738 O\n0.386688 0.690846 0.021262 O\n0.117130 0.685486 0.521357 O\n0.382870 0.685486 0.521357 O\n0.113312 0.690846 0.021262 O\n0.613312 0.309154 0.978738 O\n0.882870 0.314514 0.478643 O\n",
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"formula_full": "Mg4 Mn8 O16",
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{
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"created_at": "2022-09-04T14:39:24.673154Z",
"structure_string": "Mn2 W2 O8\n1.0\n-2.911578 4.654833 0.000001\n-0.000001 0.000000 5.490504\n3.274486 5.285539 0.000000\nMn W O\n2 2 8\ndirect\n0.499993 0.499996 0.000006 Mn\n0.000001 0.999994 0.999999 Mn\n0.500001 0.250007 0.499999 W\n0.000001 0.750006 0.499999 W\n0.672449 0.250001 0.155105 O\n0.172450 0.749999 0.155105 O\n0.327552 0.250001 0.844894 O\n0.827550 0.749999 0.844894 O\n0.761067 0.000000 0.477869 O\n0.261068 0.499999 0.477869 O\n0.738933 0.500000 0.522131 O\n0.238934 0.999999 0.522130 O\n",
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"formula_full": "Mn2 W2 O8",
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"updated_at": "2021-11-28T01:34:41.293000Z",
"spacegroup": 119
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{
"id": "mp-1222246",
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"structure_string": "Mg4 Cu6 Ge2\n1.0\n2.573413 -4.369772 0.000000\n2.573413 4.369772 0.000000\n0.000000 0.000000 8.110891\nMg Cu Ge\n4 6 2\ndirect\n0.333040 0.666960 0.294126 Mg\n0.670572 0.329428 0.175878 Mg\n0.670572 0.329428 0.824122 Mg\n0.333040 0.666960 0.705874 Mg\n0.825717 0.174283 0.500000 Cu\n0.664396 0.828887 0.000000 Cu\n0.171113 0.335604 0.000000 Cu\n0.170197 0.829803 0.000000 Cu\n0.999305 0.000695 0.248115 Cu\n0.999305 0.000695 0.751885 Cu\n0.333453 0.170618 0.500000 Ge\n0.829382 0.666547 0.500000 Ge\n",
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{
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"structure_string": "Ba6 Tb2 Ir2 Ru2 O18\n1.0\n2.980506 -5.162388 0.000000\n2.980506 5.162388 0.000000\n0.000000 0.000000 14.775724\nBa Tb Ir Ru O\n6 2 2 2 18\ndirect\n0.333333 0.666667 0.594547 Ba\n0.666667 0.333333 0.404380 Ba\n0.666667 0.333333 0.094547 Ba\n0.333333 0.666667 0.904380 Ba\n0.000000 0.000000 0.250144 Ba\n0.000000 0.000000 0.750144 Ba\n0.000000 0.000000 0.498640 Tb\n0.000000 0.000000 0.998640 Tb\n0.333333 0.666667 0.335244 Ir\n0.666667 0.333333 0.835244 Ir\n0.666667 0.333333 0.663696 Ru\n0.333333 0.666667 0.163696 Ru\n0.490042 0.509958 0.249298 O\n0.490042 0.980084 0.249298 O\n0.019916 0.509958 0.249298 O\n0.509958 0.490042 0.749298 O\n0.509958 0.019916 0.749298 O\n0.980084 0.490042 0.749298 O\n0.176309 0.823691 0.089274 O\n0.176309 0.352618 0.089274 O\n0.647382 0.823691 0.089274 O\n0.824441 0.175559 0.912571 O\n0.824441 0.648883 0.912571 O\n0.351117 0.175559 0.912571 O\n0.823691 0.176309 0.589274 O\n0.823691 0.647382 0.589274 O\n0.352618 0.176309 0.589274 O\n0.175559 0.824441 0.412571 O\n0.175559 0.351117 0.412571 O\n0.648883 0.824441 0.412571 O\n",
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{
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{
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{
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{
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{
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"structure_string": "Pr18 Ga10 Se42\n1.0\n8.244325 -9.181912 0.000000\n8.244325 9.181912 0.000000\n-1.981801 0.000000 12.179855\nPr Ga Se\n18 10 42\ndirect\n0.115343 0.881734 0.744661 Pr\n0.455056 0.221543 0.081278 Pr\n0.781666 0.551985 0.409605 Pr\n0.409605 0.781666 0.551985 Pr\n0.744661 0.115343 0.881734 Pr\n0.081278 0.455056 0.221543 Pr\n0.221543 0.081278 0.455056 Pr\n0.551985 0.409605 0.781666 Pr\n0.881734 0.744661 0.115343 Pr\n0.212754 0.444689 0.583331 Pr\n0.550279 0.782889 0.924391 Pr\n0.880364 0.112158 0.251985 Pr\n0.924391 0.550279 0.782889 Pr\n0.251985 0.880364 0.112158 Pr\n0.583331 0.212754 0.444689 Pr\n0.112158 0.251985 0.880364 Pr\n0.444689 0.583331 0.212754 Pr\n0.782889 0.924391 0.550279 Pr\n0.721994 0.388782 0.054661 Ga\n0.054661 0.721994 0.388782 Ga\n0.388782 0.054661 0.721994 Ga\n0.887995 0.222865 0.554701 Ga\n0.222865 0.554701 0.887995 Ga\n0.554701 0.887995 0.222865 Ga\n0.853031 0.853031 0.853031 Ga\n0.154018 0.154018 0.154018 Ga\n0.653765 0.653765 0.653765 Ga\n0.353015 0.353015 0.353015 Ga\n0.551631 0.394761 0.303359 Se\n0.885559 0.742430 0.653358 Se\n0.229776 0.080713 0.985182 Se\n0.985182 0.229776 0.080713 Se\n0.303359 0.551631 0.394761 Se\n0.653358 0.885559 0.742430 Se\n0.742430 0.653358 0.885559 Se\n0.080713 0.985182 0.229776 Se\n0.394761 0.303359 0.551631 Se\n0.135380 0.279197 0.367177 Se\n0.467133 0.615961 0.712089 Se\n0.781440 0.938471 0.029748 Se\n0.712089 0.467133 0.615961 Se\n0.029748 0.781440 0.938471 Se\n0.367177 0.135380 0.279197 Se\n0.938471 0.029748 0.781440 Se\n0.279197 0.367177 0.135380 Se\n0.615961 0.712089 0.467133 Se\n0.540801 0.448578 0.021346 Se\n0.874139 0.781579 0.358620 Se\n0.205010 0.110098 0.695899 Se\n0.695899 0.205010 0.110098 Se\n0.021346 0.540801 0.448578 Se\n0.358620 0.874139 0.781579 Se\n0.781579 0.358620 0.874139 Se\n0.110098 0.695899 0.205010 Se\n0.448578 0.021346 0.540801 Se\n0.968253 0.064174 0.479419 Se\n0.301719 0.394138 0.814418 Se\n0.634363 0.725637 0.154595 Se\n0.814418 0.301719 0.394138 Se\n0.154595 0.634363 0.725637 Se\n0.479419 0.968253 0.064174 Se\n0.725637 0.154595 0.634363 Se\n0.064174 0.479419 0.968253 Se\n0.394138 0.814418 0.301719 Se\n0.846415 0.515445 0.181316 Se\n0.181316 0.846415 0.515445 Se\n0.515445 0.181316 0.846415 Se\n0.680858 0.015898 0.346564 Se\n0.015898 0.346564 0.680858 Se\n0.346564 0.680858 0.015898 Se\n",
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}