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{
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{
"id": "mp-753580",
"created_at": "2022-09-04T14:48:28.724420Z",
"structure_string": "Li4 Ti4 Si4 O16\n1.0\n4.980980 0.000000 0.000000\n0.000000 6.102749 0.000000\n0.000000 0.000000 9.360387\nLi Ti Si O\n4 4 4 16\ndirect\n0.480250 0.750000 0.169626 Li\n0.980250 0.250000 0.330374 Li\n0.019750 0.750000 0.669626 Li\n0.519750 0.250000 0.830374 Li\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.475431 0.250000 0.177562 Si\n0.975431 0.750000 0.322438 Si\n0.024569 0.250000 0.677562 Si\n0.524569 0.750000 0.822438 Si\n0.798427 0.250000 0.129076 O\n0.327922 0.031495 0.115535 O\n0.327922 0.468505 0.115535 O\n0.901326 0.750000 0.147175 O\n0.401326 0.250000 0.352825 O\n0.827922 0.968505 0.384465 O\n0.827922 0.531495 0.384465 O\n0.298427 0.750000 0.370924 O\n0.701573 0.250000 0.629076 O\n0.172078 0.031495 0.615535 O\n0.172078 0.468505 0.615535 O\n0.598674 0.750000 0.647175 O\n0.098674 0.250000 0.852825 O\n0.672078 0.531495 0.884465 O\n0.672078 0.968505 0.884465 O\n0.201573 0.750000 0.870924 O\n",
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{
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"structure_string": "Li6 V10 O20\n1.0\n7.525581 2.545355 0.000000\n-7.525581 2.545355 0.000000\n0.000000 1.858892 9.877613\nLi V O\n6 10 20\ndirect\n0.352993 0.647007 0.750000 Li\n0.448658 0.551342 0.250000 Li\n0.848871 0.151129 0.250000 Li\n0.151129 0.848871 0.750000 Li\n0.551342 0.448658 0.750000 Li\n0.647007 0.352993 0.250000 Li\n0.096800 0.398532 0.507422 V\n0.190100 0.284880 0.001849 V\n0.284880 0.190100 0.501849 V\n0.715120 0.809900 0.498151 V\n0.601468 0.903200 0.992578 V\n0.398532 0.096800 0.007422 V\n0.903200 0.601468 0.492578 V\n0.809900 0.715120 0.998151 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.481015 0.775801 0.394093 O\n0.224199 0.518985 0.105907 O\n0.441969 0.344730 0.108607 O\n0.982675 0.280147 0.895607 O\n0.344730 0.441969 0.608607 O\n0.072333 0.182256 0.389547 O\n0.817744 0.927667 0.110453 O\n0.280147 0.982675 0.395607 O\n0.719853 0.017325 0.604393 O\n0.182256 0.072333 0.889547 O\n0.927667 0.817744 0.610453 O\n0.017325 0.719853 0.104393 O\n0.558031 0.655270 0.891393 O\n0.655270 0.558031 0.391393 O\n0.348161 0.848715 0.891710 O\n0.151285 0.651839 0.608290 O\n0.775801 0.481015 0.894093 O\n0.848715 0.348161 0.391710 O\n0.518985 0.224199 0.605907 O\n0.651839 0.151285 0.108290 O\n",
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"elements": [
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"formula_full": "Li6 V10 O20",
"formula_reduced": "Li3V5O10",
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{
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"created_at": "2022-09-04T14:41:04.624033Z",
"structure_string": "Y1 Rh3 C1\n1.0\n4.189057 0.000000 0.000000\n0.000000 4.189057 0.000000\n0.000000 0.000000 4.189057\nY Rh C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.500000 C\n",
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{
"id": "mp-4400",
"created_at": "2022-09-04T14:42:24.727442Z",
"structure_string": "Si12 N12 O6\n1.0\n2.337805 4.086295 0.000000\n-2.337805 4.086295 0.000000\n0.000000 0.021432 12.796257\nSi N O\n12 12 6\ndirect\n0.315006 0.328164 0.519917 Si\n0.671836 0.684994 0.980083 Si\n0.684994 0.671836 0.480083 Si\n0.328164 0.315006 0.019917 Si\n0.313255 0.331620 0.813619 Si\n0.668380 0.686745 0.686381 Si\n0.686745 0.668380 0.186381 Si\n0.331620 0.313255 0.313619 Si\n0.998690 0.003623 0.852879 Si\n0.996377 0.001310 0.647121 Si\n0.001310 0.996377 0.147121 Si\n0.003623 0.998690 0.352879 Si\n0.993864 0.708829 0.752162 N\n0.340602 0.019651 0.417022 N\n0.980349 0.659398 0.082978 N\n0.291171 0.006136 0.747838 N\n0.006136 0.291171 0.247838 N\n0.708829 0.993864 0.252162 N\n0.952866 0.371436 0.585247 N\n0.628564 0.047134 0.914753 N\n0.047134 0.628564 0.414753 N\n0.371436 0.952866 0.085247 N\n0.019651 0.340602 0.917022 N\n0.659398 0.980349 0.582978 N\n0.655083 0.332931 0.418173 O\n0.667069 0.344917 0.081827 O\n0.344917 0.667069 0.581827 O\n0.667798 0.332202 0.750000 O\n0.332202 0.667798 0.250000 O\n0.332931 0.655083 0.918173 O\n",
"nsites": 30,
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"elements": [
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"density": 4.08269464815473,
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"volume": 244.48428512619375,
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"formula_full": "Si12 N12 O6",
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},
{
"id": "mp-767833",
"created_at": "2022-09-04T14:40:43.725221Z",
"structure_string": "Mn6 Fe6 P12 O48\n1.0\n5.989178 0.000000 0.000000\n0.000000 9.883229 0.000000\n0.000000 0.012677 14.721732\nMn Fe P O\n6 6 12 48\ndirect\n0.500000 0.716695 0.978722 Mn\n0.500000 0.218074 0.853543 Mn\n0.000000 0.782868 0.813344 Mn\n0.500000 0.718679 0.645258 Mn\n0.500000 0.219691 0.519869 Mn\n0.500000 0.716890 0.311644 Mn\n0.000000 0.275154 0.679225 Fe\n0.000000 0.777101 0.486043 Fe\n0.000000 0.276033 0.345646 Fe\n0.500000 0.226173 0.179710 Fe\n0.000000 0.776090 0.153401 Fe\n0.000000 0.274006 0.012716 Fe\n0.000000 0.597750 0.971891 P\n0.000000 0.095181 0.861257 P\n0.500000 0.901275 0.806491 P\n0.500000 0.400833 0.693421 P\n0.000000 0.599080 0.639148 P\n0.000000 0.097189 0.528456 P\n0.500000 0.901510 0.473078 P\n0.500000 0.402589 0.360955 P\n0.000000 0.596984 0.305073 P\n0.000000 0.097620 0.195794 P\n0.500000 0.899743 0.139456 P\n0.500000 0.401682 0.026715 P\n0.000000 0.445632 0.950144 O\n0.200925 0.670418 0.923763 O\n0.799075 0.670418 0.923763 O\n0.500000 0.381077 0.923040 O\n0.500000 0.881296 0.910028 O\n0.198533 0.169601 0.910844 O\n0.801467 0.169601 0.910844 O\n0.000000 0.944072 0.885058 O\n0.500000 0.054313 0.785833 O\n0.700800 0.830521 0.758299 O\n0.299200 0.830521 0.758299 O\n0.000000 0.117561 0.759114 O\n0.000000 0.620560 0.742256 O\n0.703139 0.329474 0.740138 O\n0.296861 0.329474 0.740138 O\n0.500000 0.553909 0.713570 O\n0.000000 0.448818 0.617215 O\n0.198445 0.673645 0.590067 O\n0.801555 0.673645 0.590067 O\n0.500000 0.382395 0.589286 O\n0.500000 0.882475 0.577520 O\n0.801570 0.172748 0.577915 O\n0.198430 0.172748 0.577915 O\n0.000000 0.947096 0.552643 O\n0.500000 0.054563 0.453120 O\n0.703726 0.830821 0.427133 O\n0.296274 0.830821 0.427133 O\n0.000000 0.119670 0.426353 O\n0.000000 0.619770 0.407513 O\n0.296416 0.331019 0.407514 O\n0.703584 0.331019 0.407514 O\n0.500000 0.555579 0.382957 O\n0.000000 0.447141 0.281203 O\n0.198546 0.672323 0.256165 O\n0.801454 0.672323 0.256165 O\n0.500000 0.383114 0.257514 O\n0.500000 0.880452 0.243844 O\n0.799268 0.173200 0.243186 O\n0.200732 0.173200 0.243186 O\n0.000000 0.947257 0.218764 O\n0.500000 0.052232 0.119957 O\n0.703480 0.828217 0.093467 O\n0.296520 0.828217 0.093467 O\n0.000000 0.119909 0.092858 O\n0.000000 0.618635 0.074620 O\n0.299695 0.328235 0.074776 O\n0.700305 0.328235 0.074776 O\n0.500000 0.553140 0.048198 O\n",
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"elements": [
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],
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"formula_full": "Mn6 Fe6 P12 O48",
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"formula_anonymous": "ABC2D8",
"energy": -579.06197028,
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},
{
"id": "mp-19410",
"created_at": "2022-09-04T14:39:40.830358Z",
"structure_string": "Zn2 Cr4 O8\n1.0\n0.000003 0.000000 5.995899\n5.191869 -0.000505 -2.997947\n1.730156 4.895106 2.997950\nZn Cr O\n2 4 8\ndirect\n0.750000 0.875001 0.875000 Zn\n0.250000 0.125000 0.124999 Zn\n0.499999 0.499999 0.500002 Cr\n0.999999 0.500002 0.500002 Cr\n0.000001 0.499999 0.999997 Cr\n0.500001 0.999998 0.499999 Cr\n0.477199 0.738790 0.738789 O\n0.977198 0.261211 0.261211 O\n0.522800 0.261589 0.715989 O\n0.977200 0.715989 0.261588 O\n0.477200 0.738412 0.284011 O\n0.022800 0.284012 0.738411 O\n0.522801 0.261211 0.261211 O\n0.022801 0.738789 0.738789 O\n",
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],
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"volume": 152.38955148343453,
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"formula_full": "Zn2 Cr4 O8",
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},
{
"id": "mp-1223042",
"created_at": "2022-09-04T14:43:07.848982Z",
"structure_string": "Li2 Fe1 W2 O8\n1.0\n4.515163 2.513731 -2.111097\n0.507979 -5.142231 -5.009379\n-4.104940 2.479840 -2.909422\nLi Fe W O\n2 1 2 8\ndirect\n0.265482 0.245040 0.272161 Li\n0.758310 0.755190 0.753642 Li\n0.268668 0.746772 0.250956 Fe\n0.782378 0.501681 0.272595 W\n0.247449 0.000712 0.749307 W\n0.908318 0.688909 0.104799 O\n0.331767 0.214495 0.628745 O\n0.889028 0.550354 0.586265 O\n0.313593 0.994484 0.088713 O\n0.928623 0.965174 0.646319 O\n0.441038 0.501124 0.211918 O\n0.912064 0.287375 0.203157 O\n0.403382 0.810988 0.613523 O\n",
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],
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"formula_full": "Li2 Fe1 W2 O8",
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{
"id": "mp-1016165",
"created_at": "2022-09-04T14:47:38.540216Z",
"structure_string": "Li2 Mn16 O32\n1.0\n5.901035 0.000000 0.000000\n0.000000 9.878917 0.000000\n0.000000 9.773906 9.981636\nLi Mn O\n2 16 32\ndirect\n0.374988 0.089393 0.421843 Li\n0.625012 0.089393 0.921843 Li\n0.625887 0.485102 0.346642 Mn\n0.124377 0.485958 0.345671 Mn\n0.625503 0.821162 0.830731 Mn\n0.124329 0.822858 0.830054 Mn\n0.123666 0.187589 0.160979 Mn\n0.626441 0.187925 0.161056 Mn\n0.125335 0.521671 0.646143 Mn\n0.625393 0.524307 0.643773 Mn\n0.875623 0.485958 0.845671 Mn\n0.374113 0.485102 0.846642 Mn\n0.875671 0.822858 0.330054 Mn\n0.374497 0.821162 0.330731 Mn\n0.876334 0.187589 0.660979 Mn\n0.373559 0.187925 0.661056 Mn\n0.874665 0.521671 0.146143 Mn\n0.374607 0.524307 0.143773 Mn\n0.874771 0.386352 0.657050 O\n0.375785 0.386334 0.657234 O\n0.875084 0.289967 0.038878 O\n0.375149 0.290310 0.039315 O\n0.874671 0.718090 0.953296 O\n0.375246 0.719032 0.952684 O\n0.875453 0.622441 0.335825 O\n0.374857 0.621890 0.335531 O\n0.125229 0.386352 0.157050 O\n0.624215 0.386334 0.157234 O\n0.124916 0.289967 0.538878 O\n0.624851 0.290310 0.539315 O\n0.624754 0.719032 0.452684 O\n0.125329 0.718090 0.453296 O\n0.625143 0.621890 0.835531 O\n0.124547 0.622441 0.835825 O\n0.625594 0.355862 0.838951 O\n0.124936 0.363127 0.837665 O\n0.126276 0.954871 0.201233 O\n0.624005 0.956208 0.199420 O\n0.125389 0.644461 0.152733 O\n0.624451 0.646265 0.152155 O\n0.625004 0.060484 0.792834 O\n0.125190 0.062492 0.788478 O\n0.875064 0.363127 0.337665 O\n0.374406 0.355862 0.338951 O\n0.873724 0.954871 0.701233 O\n0.375995 0.956208 0.699420 O\n0.874611 0.644461 0.652733 O\n0.375549 0.646265 0.652155 O\n0.874810 0.062492 0.288478 O\n0.374996 0.060484 0.292834 O\n",
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"formula_full": "Li2 Mn16 O32",
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{
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{
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{
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}