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{
"id": "mp-1227783",
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"structure_string": "Ba2 Sr6 Mn6 O20\n1.0\n5.612246 0.000000 0.000000\n2.806123 6.382941 -0.017539\n0.000000 -0.034843 12.931301\nBa Sr Mn O\n2 6 6 20\ndirect\n0.966039 0.067922 0.644778 Ba\n0.033961 0.932078 0.355222 Ba\n0.530422 0.939156 0.142301 Sr\n0.469578 0.060844 0.857699 Sr\n0.759216 0.481568 0.890598 Sr\n0.240784 0.518432 0.109402 Sr\n0.740414 0.519171 0.390495 Sr\n0.259586 0.480829 0.609505 Sr\n0.630241 0.739518 0.652495 Mn\n0.369759 0.260482 0.347505 Mn\n0.867224 0.265551 0.151489 Mn\n0.132776 0.734449 0.848511 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.537019 0.925963 0.354649 O\n0.462981 0.074037 0.645351 O\n0.962431 0.075137 0.856748 O\n0.037569 0.924863 0.143252 O\n0.386050 0.781638 0.537046 O\n0.167688 0.218362 0.462954 O\n0.665464 0.214669 0.037974 O\n0.880133 0.785331 0.962026 O\n0.613950 0.218362 0.462954 O\n0.832312 0.781638 0.537046 O\n0.334536 0.785331 0.962026 O\n0.119867 0.214669 0.037974 O\n0.373456 0.759018 0.752361 O\n0.132474 0.240982 0.247639 O\n0.626544 0.240982 0.247639 O\n0.867526 0.759018 0.752361 O\n0.770429 0.459141 0.646574 O\n0.229571 0.540859 0.353426 O\n0.724388 0.551224 0.146984 O\n0.275612 0.448776 0.853016 O\n",
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{
"id": "mp-6694",
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"structure_string": "Cs4 Zr2 Si6 O18\n1.0\n3.666156 -6.349968 0.000000\n3.666156 6.349968 0.000000\n0.000000 0.000000 10.438671\nCs Zr Si O\n4 2 6 18\ndirect\n0.333333 0.666667 0.436333 Cs\n0.666667 0.333333 0.936333 Cs\n0.666667 0.333333 0.563667 Cs\n0.333333 0.666667 0.063667 Cs\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.610160 0.764579 0.750000 Si\n0.845581 0.610160 0.250000 Si\n0.764579 0.154419 0.250000 Si\n0.235421 0.845581 0.750000 Si\n0.154419 0.389840 0.750000 Si\n0.389840 0.235421 0.250000 Si\n0.260246 0.196989 0.382030 O\n0.063257 0.260246 0.882030 O\n0.196989 0.936743 0.882030 O\n0.803011 0.063257 0.382030 O\n0.936743 0.739754 0.382030 O\n0.739754 0.803011 0.882030 O\n0.739754 0.803011 0.617970 O\n0.936743 0.739754 0.117970 O\n0.803011 0.063257 0.117970 O\n0.196989 0.936743 0.617970 O\n0.063257 0.260246 0.617970 O\n0.260246 0.196989 0.117970 O\n0.511736 0.094704 0.250000 O\n0.417031 0.511736 0.750000 O\n0.094704 0.582969 0.750000 O\n0.905296 0.417031 0.250000 O\n0.582969 0.488264 0.250000 O\n0.488264 0.905296 0.750000 O\n",
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"formula_full": "Cs4 Zr2 Si6 O18",
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},
{
"id": "mp-30113",
"created_at": "2022-09-04T14:44:52.438432Z",
"structure_string": "Zr4 Se16 Cl24\n1.0\n11.097741 0.000000 0.000000\n0.000000 11.191501 0.000000\n0.000000 0.000000 11.193748\nZr Se Cl\n4 16 24\ndirect\n0.500000 0.000000 0.500000 Zr\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.108333 0.899530 0.504638 Se\n0.391667 0.600470 0.504638 Se\n0.608333 0.100470 0.995362 Se\n0.891667 0.399530 0.995362 Se\n0.891667 0.100470 0.495362 Se\n0.608333 0.399530 0.495362 Se\n0.391667 0.899530 0.004638 Se\n0.108333 0.600470 0.004638 Se\n0.915305 0.906745 0.421005 Se\n0.584695 0.593255 0.421005 Se\n0.415305 0.093255 0.078995 Se\n0.084695 0.406745 0.078995 Se\n0.084695 0.093255 0.578995 Se\n0.415305 0.406745 0.578995 Se\n0.584695 0.906745 0.921005 Se\n0.915305 0.593255 0.921005 Se\n0.671166 0.039243 0.357166 Cl\n0.828834 0.460757 0.357166 Cl\n0.171166 0.960757 0.142834 Cl\n0.328834 0.539243 0.142834 Cl\n0.328834 0.960757 0.642834 Cl\n0.171166 0.539243 0.642834 Cl\n0.828834 0.039243 0.857166 Cl\n0.671166 0.460757 0.857166 Cl\n0.431560 0.828008 0.371089 Cl\n0.068440 0.671992 0.371089 Cl\n0.931560 0.171992 0.128911 Cl\n0.568440 0.328008 0.128911 Cl\n0.568440 0.171992 0.628911 Cl\n0.931560 0.328008 0.628911 Cl\n0.068440 0.828008 0.871089 Cl\n0.431560 0.671992 0.871089 Cl\n0.628246 0.865104 0.616070 Cl\n0.871754 0.634896 0.616070 Cl\n0.128246 0.134896 0.883930 Cl\n0.371754 0.365104 0.883930 Cl\n0.628246 0.634896 0.116070 Cl\n0.871754 0.865104 0.116070 Cl\n0.128246 0.365104 0.383930 Cl\n0.371754 0.134896 0.383930 Cl\n",
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],
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"volume": 1390.2677496188699,
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"formula_full": "Zr4 Se16 Cl24",
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"spacegroup": 56
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{
"id": "mp-1209914",
"created_at": "2022-09-04T14:44:54.486699Z",
"structure_string": "Nd4 Zn2 Pt2 O12\n1.0\n5.846908 0.000000 0.000000\n0.000000 5.506260 0.000000\n0.000000 5.468466 7.893579\nNd Zn Pt O\n4 2 2 12\ndirect\n0.431075 0.232272 0.749001 Nd\n0.568925 0.767728 0.250999 Nd\n0.931075 0.767728 0.750999 Nd\n0.068925 0.232272 0.249001 Nd\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.035059 0.355249 0.752401 O\n0.964941 0.644751 0.247599 O\n0.535059 0.644751 0.747599 O\n0.464941 0.355249 0.252401 O\n0.704621 0.867027 0.944209 O\n0.295379 0.132973 0.055791 O\n0.204621 0.132973 0.555791 O\n0.795379 0.867027 0.444209 O\n0.195069 0.751673 0.946809 O\n0.804931 0.248327 0.053191 O\n0.695069 0.248327 0.553191 O\n0.304931 0.751673 0.446809 O\n",
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{
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"structure_string": "Y6 Cu22 Si8\n1.0\n-4.218829 -7.307226 0.000000\n-4.218829 7.307226 0.000000\n0.000000 0.000000 -8.609468\nY Cu Si\n6 22 8\ndirect\n0.801127 0.198873 0.750000 Y\n0.198873 0.801127 0.250000 Y\n0.397747 0.198873 0.750000 Y\n0.602253 0.801127 0.250000 Y\n0.801127 0.602253 0.750000 Y\n0.198873 0.397747 0.250000 Y\n0.850546 0.149454 0.408178 Cu\n0.149454 0.850546 0.591822 Cu\n0.298907 0.149454 0.408178 Cu\n0.149454 0.850546 0.908178 Cu\n0.701093 0.850546 0.591822 Cu\n0.850546 0.149454 0.091822 Cu\n0.850546 0.701093 0.408178 Cu\n0.701093 0.850546 0.908178 Cu\n0.149454 0.298907 0.591822 Cu\n0.298907 0.149454 0.091822 Cu\n0.149454 0.298907 0.908178 Cu\n0.850546 0.701093 0.091822 Cu\n0.435011 0.564989 0.750000 Cu\n0.564989 0.435011 0.250000 Cu\n0.129979 0.564989 0.750000 Cu\n0.870021 0.435011 0.250000 Cu\n0.435011 0.870021 0.750000 Cu\n0.564989 0.129979 0.250000 Cu\n0.666667 0.333333 0.012666 Cu\n0.333333 0.666667 0.987334 Cu\n0.333333 0.666667 0.512666 Cu\n0.666667 0.333333 0.487334 Cu\n0.500000 0.500000 0.000000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.750000 Si\n0.000000 0.000000 0.250000 Si\n",
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{
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{
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"structure_string": "Sr2 Pr2 Co2 Ru2 O12\n1.0\n5.662629 0.000000 0.000000\n0.000000 5.612396 0.000000\n0.000000 5.596693 7.927607\nSr Pr Co Ru O\n2 2 2 2 12\ndirect\n0.215392 0.245537 0.249354 Sr\n0.784608 0.245537 0.749354 Sr\n0.297673 0.758593 0.751819 Pr\n0.702327 0.758593 0.251819 Pr\n0.754095 0.500166 0.000167 Co\n0.245905 0.500166 0.500167 Co\n0.751928 0.000617 0.499770 Ru\n0.248072 0.000617 0.999770 Ru\n0.762306 0.328084 0.257036 O\n0.237694 0.328084 0.757036 O\n0.729336 0.692587 0.743139 O\n0.270664 0.692587 0.243139 O\n0.038762 0.154621 0.543188 O\n0.961238 0.154621 0.043188 O\n0.474619 0.825089 0.461977 O\n0.525381 0.825089 0.961977 O\n0.950456 0.755480 0.457607 O\n0.049544 0.755480 0.957607 O\n0.536952 0.239225 0.535942 O\n0.463048 0.239225 0.035942 O\n",
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{
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