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{
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{
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"structure_string": "Si8 O16\n1.0\n9.715639 0.000000 0.000000\n0.000000 9.715639 0.000000\n0.000000 0.000000 4.238039\nSi O\n8 16\ndirect\n0.851199 0.648801 0.169548 Si\n0.648801 0.851199 0.830452 Si\n0.148801 0.648801 0.830452 Si\n0.851199 0.351199 0.830452 Si\n0.148801 0.351199 0.169548 Si\n0.351199 0.148801 0.830452 Si\n0.648801 0.148801 0.169548 Si\n0.351199 0.851199 0.169548 Si\n0.500000 0.811361 0.000000 O\n0.250000 0.250000 0.000000 O\n0.688639 0.000000 0.000000 O\n0.811361 0.500000 0.000000 O\n0.750000 0.750000 0.500000 O\n0.188639 0.500000 0.000000 O\n0.250000 0.750000 0.500000 O\n0.500000 0.188639 0.000000 O\n0.250000 0.250000 0.500000 O\n0.000000 0.311361 0.000000 O\n0.750000 0.250000 0.500000 O\n0.311361 0.000000 0.000000 O\n0.250000 0.750000 0.000000 O\n0.000000 0.688639 0.000000 O\n0.750000 0.750000 0.000000 O\n0.750000 0.250000 0.000000 O\n",
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{
"id": "mp-1188959",
"created_at": "2022-09-04T14:42:23.153618Z",
"structure_string": "Sr4 Lu2 Nb2 O12\n1.0\n5.854055 0.000000 0.000000\n0.000000 5.852540 0.000000\n-5.833066 0.000000 8.282909\nSr Lu Nb O\n4 2 2 12\ndirect\n0.255643 0.474415 0.752721 Sr\n0.255643 0.025585 0.252721 Sr\n0.744357 0.525585 0.247279 Sr\n0.744357 0.974415 0.747279 Sr\n0.000000 0.000000 0.500000 Lu\n0.000000 0.500000 0.000000 Lu\n0.500000 0.500000 0.500000 Nb\n0.500000 0.000000 0.000000 Nb\n0.335049 0.219796 0.534501 O\n0.335049 0.280204 0.034501 O\n0.664951 0.780204 0.465499 O\n0.664951 0.719796 0.965499 O\n0.735330 0.203610 0.960180 O\n0.735330 0.296390 0.460180 O\n0.264670 0.796390 0.039820 O\n0.264670 0.703610 0.539820 O\n0.188426 0.014062 0.760376 O\n0.188426 0.485938 0.260376 O\n0.811574 0.985938 0.239624 O\n0.811574 0.514062 0.739624 O\n",
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"formula_full": "Sr4 Lu2 Nb2 O12",
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"spacegroup": 14
},
{
"id": "mp-1186753",
"created_at": "2022-09-04T14:42:23.155491Z",
"structure_string": "Pr1 Nd1\n1.0\n1.854394 -3.211904 0.000000\n1.854394 3.211904 0.000000\n0.000000 0.000000 6.101645\nPr Nd\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.500000 Nd\n",
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"elements": [
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"volume": 72.68444886116252,
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"formula_full": "Pr1 Nd1",
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"spacegroup": 187
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{
"id": "mp-1227659",
"created_at": "2022-09-04T14:42:23.159076Z",
"structure_string": "Ca8 La4 Mn12 O36\n1.0\n5.435801 0.000000 0.000000\n0.000000 7.730363 0.000000\n0.000000 0.000000 16.365139\nCa La Mn O\n8 4 12 36\ndirect\n0.510829 0.750000 0.513507 Ca\n0.505037 0.750000 0.177892 Ca\n0.994963 0.750000 0.677892 Ca\n0.989171 0.750000 0.013507 Ca\n0.494963 0.250000 0.822108 Ca\n0.489171 0.250000 0.486493 Ca\n0.010829 0.250000 0.986493 Ca\n0.005037 0.250000 0.322108 Ca\n0.504257 0.750000 0.840719 La\n0.995743 0.750000 0.340719 La\n0.495743 0.250000 0.159281 La\n0.004257 0.250000 0.659281 La\n0.000765 0.001188 0.835195 Mn\n0.000000 0.000000 0.500000 Mn\n0.999235 0.998812 0.164805 Mn\n0.500000 0.500000 0.000000 Mn\n0.500765 0.501188 0.664805 Mn\n0.499235 0.498812 0.335195 Mn\n0.000765 0.498812 0.835195 Mn\n0.000000 0.500000 0.500000 Mn\n0.999235 0.501188 0.164805 Mn\n0.500000 0.000000 0.000000 Mn\n0.500765 0.998812 0.664805 Mn\n0.499235 0.001188 0.335195 Mn\n0.417988 0.750000 0.993635 O\n0.427131 0.750000 0.663562 O\n0.437754 0.750000 0.328276 O\n0.062246 0.750000 0.828276 O\n0.082012 0.750000 0.493635 O\n0.072869 0.750000 0.163562 O\n0.562246 0.250000 0.671724 O\n0.572869 0.250000 0.336438 O\n0.582012 0.250000 0.006365 O\n0.927131 0.250000 0.836438 O\n0.917988 0.250000 0.506365 O\n0.937754 0.250000 0.171724 O\n0.784712 0.956219 0.928575 O\n0.791750 0.960506 0.595926 O\n0.777048 0.967389 0.259882 O\n0.722952 0.532611 0.759882 O\n0.715288 0.543781 0.428575 O\n0.708250 0.539494 0.095926 O\n0.222952 0.467389 0.740118 O\n0.208250 0.460506 0.404074 O\n0.215288 0.456219 0.071425 O\n0.291750 0.039494 0.904074 O\n0.284712 0.043781 0.571425 O\n0.277048 0.032611 0.240118 O\n0.222952 0.032611 0.740118 O\n0.208250 0.039494 0.404074 O\n0.215288 0.043781 0.071425 O\n0.291750 0.460506 0.904074 O\n0.284712 0.456219 0.571425 O\n0.277048 0.467389 0.240118 O\n0.784712 0.543781 0.928575 O\n0.791750 0.539494 0.595926 O\n0.777048 0.532611 0.259882 O\n0.722952 0.967389 0.759882 O\n0.715288 0.956219 0.428575 O\n0.708250 0.960506 0.095926 O\n",
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{
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"structure_string": "Eu2 In4 Ni2\n1.0\n2.200813 -5.367621 0.000000\n2.200813 5.367621 0.000000\n0.000000 0.000000 7.793884\nEu In Ni\n2 4 2\ndirect\n0.057376 0.942624 0.250000 Eu\n0.942624 0.057376 0.750000 Eu\n0.653756 0.346244 0.946937 In\n0.346244 0.653756 0.053063 In\n0.346244 0.653756 0.446937 In\n0.653756 0.346244 0.553063 In\n0.778798 0.221202 0.250000 Ni\n0.221202 0.778798 0.750000 Ni\n",
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{
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"structure_string": "Li4 Cu3 O6\n1.0\n1.763707 5.047730 0.000000\n-1.763707 5.047730 0.000000\n0.000000 2.319558 8.048525\nLi Cu O\n4 3 6\ndirect\n0.778960 0.778960 0.255422 Li\n0.223609 0.223609 0.078639 Li\n0.779725 0.779725 0.559465 Li\n0.218627 0.218627 0.773990 Li\n0.499036 0.499036 0.665786 Cu\n0.497086 0.497086 0.337244 Cu\n0.504389 0.504389 0.996301 Cu\n0.369241 0.369241 0.211604 O\n0.625101 0.625101 0.458603 O\n0.372038 0.372038 0.871885 O\n0.632645 0.632645 0.133064 O\n0.366512 0.366512 0.548079 O\n0.634925 0.634925 0.776583 O\n",
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{
"id": "mp-1350717",
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"structure_string": "Zn3 Cu10 Te6 O36\n1.0\n8.475694 -0.009217 0.684799\n4.038199 7.398168 0.765660\n0.304583 0.292503 10.464867\nZn Cu Te O\n3 10 6 36\ndirect\n0.854375 0.556894 0.315580 Zn\n0.433434 0.526103 0.778767 Zn\n0.141288 0.818972 0.279175 Zn\n0.793404 0.526979 0.985699 Cu\n0.132952 0.188106 0.495436 Cu\n0.336052 0.355227 0.292494 Cu\n0.968451 0.724110 0.795783 Cu\n0.649333 0.676484 0.704482 Cu\n0.967986 0.035716 0.000211 Cu\n0.641032 0.357381 0.500983 Cu\n0.282458 0.042878 0.203795 Cu\n0.807961 0.872823 0.515267 Cu\n0.478898 0.191562 0.009325 Cu\n0.448791 0.867334 0.951288 Te\n0.799440 0.197231 0.247970 Te\n0.812256 0.187842 0.749731 Te\n0.469925 0.848760 0.455896 Te\n0.159112 0.517346 0.550665 Te\n0.131953 0.545357 0.046708 Te\n0.412571 0.098223 0.870685 O\n0.705846 0.442199 0.804324 O\n0.568144 0.611864 0.558295 O\n0.733944 0.114178 0.423488 O\n0.564955 0.266408 0.191741 O\n0.889153 0.261078 0.576151 O\n0.387193 0.791377 0.311583 O\n0.028207 0.110652 0.836547 O\n0.578878 0.290219 0.671118 O\n0.081690 0.425325 0.407681 O\n0.556647 0.635627 0.053969 O\n0.516569 0.967048 0.093174 O\n0.877328 0.951618 0.695053 O\n0.706071 0.740104 0.867492 O\n0.365598 0.440880 0.948549 O\n0.219111 0.600804 0.187245 O\n0.049007 0.753659 0.447351 O\n0.259204 0.292512 0.136495 O\n0.382192 0.439872 0.442454 O\n0.245636 0.945017 0.558245 O\n0.698283 0.798653 0.368008 O\n0.903681 0.653717 0.636126 O\n0.906166 0.965328 0.171393 O\n0.394052 0.783761 0.807572 O\n0.046633 0.777355 0.942888 O\n0.729206 0.124796 0.926521 O\n0.027152 0.491477 0.905345 O\n0.217773 0.607449 0.684403 O\n0.049644 0.102336 0.306627 O\n0.348179 0.104986 0.369959 O\n0.197963 0.290090 0.633571 O\n0.870886 0.285715 0.078673 O\n0.720032 0.419052 0.332638 O\n0.578980 0.909879 0.592827 O\n0.220510 0.952385 0.057799 O\n0.907398 0.589891 0.133529 O\n",
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{
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{
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{
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"structure_string": "Na12 Mn4 S8 O32 F8\n1.0\n6.788246 0.000000 0.000000\n0.000000 9.193404 0.000000\n0.000000 0.000000 13.917901\nNa Mn S O F\n12 4 8 32 8\ndirect\n0.531205 0.663696 0.906033 Na\n0.031205 0.836304 0.593967 Na\n0.468795 0.163696 0.593967 Na\n0.968795 0.336304 0.906033 Na\n0.468795 0.336304 0.093967 Na\n0.968795 0.163696 0.406033 Na\n0.531205 0.836304 0.406033 Na\n0.031205 0.663696 0.093967 Na\n0.750000 0.000000 0.061095 Na\n0.250000 0.500000 0.438905 Na\n0.250000 0.000000 0.938905 Na\n0.750000 0.500000 0.561095 Na\n0.750000 0.000000 0.806918 Mn\n0.250000 0.500000 0.693082 Mn\n0.250000 0.000000 0.193082 Mn\n0.750000 0.500000 0.306918 Mn\n0.018677 0.690999 0.854274 S\n0.518677 0.809001 0.645726 S\n0.981323 0.190999 0.645726 S\n0.481323 0.309001 0.854274 S\n0.981323 0.309001 0.145726 S\n0.481323 0.190999 0.354274 S\n0.018677 0.809001 0.354274 S\n0.518677 0.690999 0.145726 S\n0.437105 0.445707 0.794998 O\n0.937105 0.054293 0.705002 O\n0.562895 0.945707 0.705002 O\n0.062895 0.554293 0.794998 O\n0.562895 0.554293 0.205002 O\n0.062895 0.945707 0.294998 O\n0.437105 0.054293 0.294998 O\n0.937105 0.445707 0.205002 O\n0.200165 0.753085 0.894351 O\n0.700165 0.746915 0.605649 O\n0.799835 0.253085 0.605649 O\n0.299835 0.246915 0.894351 O\n0.799835 0.246915 0.105649 O\n0.299835 0.253085 0.394351 O\n0.200165 0.746915 0.394351 O\n0.700165 0.753085 0.105649 O\n0.884802 0.638126 0.930600 O\n0.384802 0.861874 0.569400 O\n0.115198 0.138126 0.569400 O\n0.615198 0.361874 0.930600 O\n0.115198 0.361874 0.069400 O\n0.615198 0.138126 0.430600 O\n0.884802 0.861874 0.430600 O\n0.384802 0.638126 0.069400 O\n0.419234 0.703845 0.710421 O\n0.919234 0.796155 0.789579 O\n0.580766 0.203845 0.789579 O\n0.080766 0.296155 0.710421 O\n0.580766 0.296155 0.289579 O\n0.080766 0.203845 0.210421 O\n0.419234 0.796155 0.210421 O\n0.919234 0.703845 0.289579 O\n0.583726 0.924473 0.906384 F\n0.083726 0.575527 0.593616 F\n0.416274 0.424473 0.593616 F\n0.916274 0.075527 0.906384 F\n0.416274 0.075527 0.093616 F\n0.916274 0.424473 0.406384 F\n0.583726 0.575527 0.406384 F\n0.083726 0.924473 0.093616 F\n",
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{
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"structure_string": "Sm3 Cd3 Ga3\n1.0\n3.697756 -6.404702 0.000000\n3.697756 6.404702 0.000000\n0.000000 0.000000 4.453819\nSm Cd Ga\n3 3 3\ndirect\n0.421789 0.421789 0.500000 Sm\n0.578211 0.000000 0.500000 Sm\n0.000000 0.578211 0.500000 Sm\n0.752037 0.752037 0.000000 Cd\n0.247963 0.000000 0.000000 Cd\n0.000000 0.247963 0.000000 Cd\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n",
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}