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{
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"structure_string": "Sr1 Pr3 Fe4 O12\n1.0\n7.856169 0.000000 0.000000\n0.000000 5.550273 0.000000\n0.000000 0.017326 5.611391\nSr Pr Fe O\n1 3 4 12\ndirect\n0.500000 0.494122 0.531212 Sr\n0.500000 0.013247 0.043116 Pr\n0.000000 0.507837 0.455287 Pr\n0.000000 0.992199 0.958967 Pr\n0.251320 0.499923 0.997234 Fe\n0.748928 0.001217 0.500785 Fe\n0.748680 0.499923 0.997234 Fe\n0.251072 0.001217 0.500785 Fe\n0.285632 0.204733 0.794482 O\n0.717856 0.279278 0.280767 O\n0.794784 0.783137 0.216125 O\n0.202928 0.715603 0.714256 O\n0.205216 0.783137 0.216125 O\n0.797072 0.715603 0.714256 O\n0.714368 0.204733 0.794482 O\n0.282144 0.279278 0.280767 O\n0.500000 0.581863 0.991815 O\n0.500000 0.941358 0.479514 O\n0.000000 0.423921 0.014815 O\n0.000000 0.077668 0.517977 O\n",
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{
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"structure_string": "U4 Fe6 Si2\n1.0\n-2.561925 -4.468701 0.000000\n-5.123850 0.000000 0.000000\n0.000000 0.000000 -7.447170\nU Fe Si\n4 6 2\ndirect\n0.334798 0.332601 0.565968 U\n0.665202 0.667399 0.434032 U\n0.665202 0.667399 0.065968 U\n0.334798 0.332601 0.934032 U\n0.833144 0.334414 0.750000 Fe\n0.333617 0.833191 0.750000 Fe\n0.833144 0.832441 0.750000 Fe\n0.166856 0.665586 0.250000 Fe\n0.666383 0.166809 0.250000 Fe\n0.166856 0.167559 0.250000 Fe\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n",
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"updated_at": "2021-11-28T01:34:41.395000Z",
"spacegroup": 194
},
{
"id": "mp-1221062",
"created_at": "2022-09-04T14:39:06.897513Z",
"structure_string": "Na1 Nd3 Ti3 Mn1 O12\n1.0\n5.499195 0.000000 0.000000\n0.012090 5.656948 0.000000\n0.032851 0.017159 7.885426\nNa Nd Ti Mn O\n1 3 3 1 12\ndirect\n0.497258 0.481868 0.249795 Na\n0.017041 0.949638 0.241615 Nd\n0.512514 0.550893 0.762916 Nd\n0.988599 0.051298 0.754506 Nd\n0.498357 0.021090 0.503802 Ti\n0.009893 0.511686 0.491451 Ti\n0.503607 0.004210 0.016336 Ti\n0.004033 0.495806 0.006750 Mn\n0.587411 0.023113 0.253804 O\n0.916462 0.518494 0.266886 O\n0.413663 0.971889 0.738663 O\n0.093895 0.472249 0.734175 O\n0.784599 0.804147 0.952892 O\n0.707510 0.272940 0.555983 O\n0.203987 0.197230 0.459679 O\n0.311249 0.720506 0.039027 O\n0.204607 0.177011 0.030355 O\n0.270076 0.723721 0.453331 O\n0.776420 0.780696 0.549060 O\n0.698819 0.271513 0.938975 O\n",
"nsites": 20,
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"elements": [
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],
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"formula_full": "Na1 Nd3 Ti3 Mn1 O12",
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},
{
"id": "mp-1187522",
"created_at": "2022-09-04T14:39:06.897867Z",
"structure_string": "Yb1 Sm1 Cd2\n1.0\n0.000000 3.804402 3.804402\n3.804402 0.000000 3.804402\n3.804402 3.804402 0.000000\nYb Sm Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Sm\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
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"volume": 110.12583125997162,
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"formula_full": "Yb1 Sm1 Cd2",
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{
"id": "mp-766406",
"created_at": "2022-09-04T14:39:06.911139Z",
"structure_string": "Li12 V4 Si12 O36\n1.0\n5.375572 0.000000 0.000000\n0.000000 11.799326 0.000000\n0.000000 0.000000 12.739113\nLi V Si O\n12 4 12 36\ndirect\n0.829218 0.937667 0.000000 Li\n0.180287 0.602600 0.000000 Li\n0.841159 0.141806 0.000000 Li\n0.326263 0.400630 0.000000 Li\n0.326559 0.833513 0.753603 Li\n0.673441 0.333513 0.746397 Li\n0.170782 0.437667 0.500000 Li\n0.673737 0.900630 0.500000 Li\n0.158841 0.641806 0.500000 Li\n0.819713 0.102600 0.500000 Li\n0.673441 0.333513 0.253603 Li\n0.326559 0.833513 0.246397 Li\n0.873404 0.044321 0.773566 V\n0.126596 0.544321 0.726434 V\n0.126596 0.544321 0.273566 V\n0.873404 0.044321 0.226434 V\n0.350616 0.164164 0.886711 Si\n0.639631 0.537463 0.883034 Si\n0.836883 0.762939 0.811147 Si\n0.163117 0.262939 0.688853 Si\n0.360369 0.037463 0.616966 Si\n0.649384 0.664164 0.613289 Si\n0.649384 0.664164 0.386711 Si\n0.360369 0.037463 0.383034 Si\n0.163117 0.262939 0.311147 Si\n0.836883 0.762939 0.188853 Si\n0.639631 0.537463 0.116966 Si\n0.350616 0.164164 0.113289 Si\n0.724724 0.484816 0.000000 O\n0.364210 0.238901 0.000000 O\n0.089918 0.096138 0.890683 O\n0.604718 0.093856 0.878130 O\n0.692288 0.674893 0.891666 O\n0.340151 0.513556 0.873920 O\n0.813024 0.476728 0.796024 O\n0.344515 0.265837 0.796247 O\n0.837098 0.890056 0.855914 O\n0.108655 0.708965 0.786839 O\n0.891345 0.208965 0.713161 O\n0.162902 0.390056 0.644086 O\n0.655485 0.765837 0.703753 O\n0.186976 0.976728 0.703976 O\n0.659849 0.013556 0.626080 O\n0.307712 0.174893 0.608334 O\n0.395282 0.593856 0.621870 O\n0.910082 0.596138 0.609317 O\n0.635790 0.738901 0.500000 O\n0.275276 0.984816 0.500000 O\n0.910082 0.596138 0.390683 O\n0.395282 0.593856 0.378130 O\n0.307712 0.174893 0.391666 O\n0.659849 0.013556 0.373920 O\n0.186976 0.976728 0.296024 O\n0.655485 0.765837 0.296247 O\n0.162902 0.390056 0.355914 O\n0.891345 0.208965 0.286839 O\n0.108655 0.708965 0.213161 O\n0.837098 0.890056 0.144086 O\n0.344515 0.265837 0.203753 O\n0.813024 0.476728 0.203976 O\n0.340151 0.513556 0.126080 O\n0.692288 0.674893 0.108334 O\n0.604718 0.093856 0.121870 O\n0.089918 0.096138 0.109317 O\n",
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],
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"volume": 808.0180704091993,
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"formula_full": "Li12 V4 Si12 O36",
"formula_reduced": "Li3V(SiO3)3",
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{
"id": "mp-1183856",
"created_at": "2022-09-04T14:39:06.912227Z",
"structure_string": "Dy2 Er6\n1.0\n3.588690 -6.215793 0.000000\n3.588690 6.215793 0.000000\n0.000000 0.000000 5.612627\nDy Er\n2 6\ndirect\n0.333333 0.666667 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n0.166248 0.332496 0.250000 Er\n0.667504 0.833752 0.250000 Er\n0.166248 0.833752 0.250000 Er\n0.833752 0.667504 0.750000 Er\n0.332496 0.166248 0.750000 Er\n0.833752 0.166248 0.750000 Er\n",
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{
"id": "mp-1200667",
"created_at": "2022-09-04T14:39:06.913734Z",
"structure_string": "Co4 H36 C12 N28 O8\n1.0\n14.451310 0.000000 0.000000\n0.000000 6.489837 0.000000\n0.000000 0.759323 10.566064\nCo H C N O\n4 36 12 28 8\ndirect\n0.750321 0.474680 0.749247 Co\n0.250321 0.025320 0.250753 Co\n0.249679 0.525320 0.250753 Co\n0.749679 0.974680 0.749247 Co\n0.984551 0.347998 0.764598 H\n0.484551 0.152002 0.235402 H\n0.015449 0.652002 0.235402 H\n0.515449 0.847998 0.764598 H\n0.008982 0.099995 0.796490 H\n0.508982 0.400005 0.203510 H\n0.991018 0.900005 0.203510 H\n0.491018 0.599995 0.796490 H\n0.007809 0.726973 0.746178 H\n0.507809 0.773027 0.253822 H\n0.992191 0.273027 0.253822 H\n0.492191 0.226973 0.746178 H\n0.142316 0.447729 0.806722 H\n0.642316 0.052271 0.193278 H\n0.857684 0.552271 0.193278 H\n0.357684 0.947729 0.806722 H\n0.093293 0.297740 0.939915 H\n0.593293 0.202260 0.060085 H\n0.906707 0.702260 0.060085 H\n0.406707 0.797740 0.939915 H\n0.171961 0.180237 0.836162 H\n0.671961 0.319763 0.163838 H\n0.828039 0.819763 0.163838 H\n0.328039 0.680237 0.836162 H\n0.114571 0.095740 0.620678 H\n0.614571 0.404260 0.379322 H\n0.885429 0.904260 0.379322 H\n0.385429 0.595740 0.620678 H\n0.001550 0.186627 0.573040 H\n0.501550 0.313373 0.426960 H\n0.998450 0.813373 0.426960 H\n0.498450 0.686627 0.573040 H\n0.094196 0.367478 0.589078 H\n0.594196 0.132522 0.410922 H\n0.905804 0.632522 0.410922 H\n0.405804 0.867478 0.589078 H\n0.931261 0.724852 0.750079 C\n0.431261 0.775148 0.249921 C\n0.068739 0.275148 0.249921 C\n0.568739 0.224852 0.750079 C\n0.117116 0.295356 0.842053 C\n0.617116 0.204644 0.157947 C\n0.882884 0.704644 0.157947 C\n0.382884 0.795356 0.842053 C\n0.064036 0.220540 0.626113 C\n0.564036 0.279460 0.373887 C\n0.935964 0.779460 0.373887 C\n0.435964 0.720540 0.626113 C\n0.769967 0.242956 0.618912 N\n0.269967 0.257044 0.381088 N\n0.230033 0.757044 0.381088 N\n0.730033 0.742956 0.618912 N\n0.802427 0.257706 0.514151 N\n0.302427 0.242294 0.485849 N\n0.197573 0.742294 0.485849 N\n0.697573 0.757706 0.514151 N\n0.833342 0.271884 0.411687 N\n0.333342 0.228116 0.588313 N\n0.166658 0.728116 0.588313 N\n0.666658 0.771884 0.411687 N\n0.775640 0.207503 0.878249 N\n0.275640 0.292497 0.121751 N\n0.224360 0.792497 0.121751 N\n0.724360 0.707503 0.878249 N\n0.836568 0.196722 0.956432 N\n0.336568 0.303278 0.043568 N\n0.163432 0.803278 0.043568 N\n0.663432 0.696722 0.956432 N\n0.894914 0.186582 0.032772 N\n0.394914 0.313418 0.967228 N\n0.105086 0.813418 0.967228 N\n0.605086 0.686582 0.032772 N\n0.037966 0.238097 0.761286 N\n0.537966 0.261903 0.238714 N\n0.962034 0.761903 0.238714 N\n0.462034 0.738097 0.761286 N\n0.894027 0.546496 0.750896 O\n0.394027 0.953504 0.249104 O\n0.105973 0.453504 0.249104 O\n0.605973 0.046496 0.750896 O\n0.892337 0.898948 0.752938 O\n0.392337 0.601052 0.247062 O\n0.107663 0.101052 0.247062 O\n0.607663 0.398948 0.752938 O\n",
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{
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"structure_string": "Pr2 Ti4 Zn2 O12\n1.0\n5.380510 0.000000 0.000000\n0.000000 5.640589 0.000000\n0.000000 0.000000 7.719763\nPr Ti Zn O\n2 4 2 12\ndirect\n0.014623 0.690084 0.000000 Pr\n0.514623 0.309916 0.500000 Pr\n0.004154 0.226868 0.748370 Ti\n0.004154 0.226868 0.251630 Ti\n0.504154 0.773132 0.248370 Ti\n0.504154 0.773132 0.751630 Ti\n0.506271 0.295721 0.000000 Zn\n0.006271 0.704279 0.500000 Zn\n0.078350 0.234012 0.500000 O\n0.203180 0.957755 0.797058 O\n0.203180 0.957755 0.202942 O\n0.306234 0.443118 0.194848 O\n0.306234 0.443118 0.805152 O\n0.373379 0.727366 0.500000 O\n0.578350 0.765988 0.000000 O\n0.703180 0.042245 0.702942 O\n0.703180 0.042245 0.297058 O\n0.806234 0.556882 0.694848 O\n0.806234 0.556882 0.305152 O\n0.873379 0.272634 0.000000 O\n",
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{
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}