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{
"id": "mp-1075982",
"created_at": "2022-09-04T14:46:57.397527Z",
"structure_string": "Ba1 Sr7 Co5 Cu3 O24\n1.0\n5.549524 5.548709 0.000000\n-5.549524 5.548709 0.000000\n0.000000 0.007338 7.705854\nBa Sr Co Cu O\n1 7 5 3 24\ndirect\n0.248996 0.248996 0.751098 Ba\n0.248332 0.751371 0.750615 Sr\n0.751615 0.751615 0.750634 Sr\n0.751371 0.248332 0.750615 Sr\n0.248546 0.751463 0.249492 Sr\n0.751959 0.751959 0.248959 Sr\n0.248224 0.248224 0.249641 Sr\n0.751463 0.248546 0.249492 Sr\n0.502291 0.502291 0.000925 Co\n0.998798 0.998798 0.498615 Co\n0.500978 0.998716 0.498708 Co\n0.998716 0.500978 0.498708 Co\n0.501011 0.501011 0.498692 Co\n0.999551 0.999551 0.000089 Cu\n0.500605 0.000072 0.000506 Cu\n0.000072 0.500605 0.000506 Cu\n0.995609 0.995609 0.739850 O\n0.504329 0.995849 0.738582 O\n0.995849 0.504329 0.738582 O\n0.503508 0.503508 0.761530 O\n0.999174 0.999174 0.258973 O\n0.500971 0.999422 0.260346 O\n0.999422 0.500971 0.260346 O\n0.501462 0.501462 0.239253 O\n0.998373 0.749702 0.001044 O\n0.501807 0.750599 0.001022 O\n0.992506 0.250391 0.006776 O\n0.504824 0.250311 0.004959 O\n0.998198 0.750373 0.498316 O\n0.500525 0.740781 0.498853 O\n0.994349 0.249445 0.496098 O\n0.505052 0.259912 0.495553 O\n0.250391 0.992506 0.006776 O\n0.749702 0.998373 0.001044 O\n0.250311 0.504824 0.004959 O\n0.750599 0.501807 0.001022 O\n0.249445 0.994349 0.496098 O\n0.750373 0.998198 0.498316 O\n0.259912 0.505052 0.495553 O\n0.740781 0.500525 0.498853 O\n",
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"formula_full": "Ba1 Sr7 Co5 Cu3 O24",
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},
{
"id": "mp-1034896",
"created_at": "2022-09-04T14:46:42.404516Z",
"structure_string": "Mg14 Zn1 Si1 O16\n1.0\n8.591912 0.000000 0.000000\n0.000000 8.591912 0.000000\n0.000000 0.000000 4.295472\nMg Zn Si O\n14 1 1 16\ndirect\n-0.000000 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Mg\n-0.000000 0.249851 0.500000 Mg\n-0.000000 0.750149 0.500000 Mg\n0.500000 0.246965 0.500000 Mg\n0.500000 0.753035 0.500000 Mg\n0.249851 0.000000 0.500000 Mg\n0.246965 0.500000 0.500000 Mg\n0.750149 0.000000 0.500000 Mg\n0.753035 0.500000 0.500000 Mg\n0.248645 0.248645 -0.000000 Mg\n0.248645 0.751355 -0.000000 Mg\n0.751355 0.248645 0.000000 Mg\n0.751355 0.751355 0.000000 Mg\n-0.000000 -0.000000 -0.000000 Zn\n0.500000 0.500000 -0.000000 Si\n0.252009 -0.000000 -0.000000 O\n0.239323 0.500000 -0.000000 O\n0.747991 0.000000 -0.000000 O\n0.760677 0.500000 -0.000000 O\n0.250425 0.250425 0.500000 O\n0.250425 0.749575 0.500000 O\n0.749575 0.250425 0.500000 O\n0.749575 0.749575 0.500000 O\n-0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.252009 0.000000 O\n-0.000000 0.747991 0.000000 O\n0.500000 0.239323 0.000000 O\n0.500000 0.760677 -0.000000 O\n",
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"elements": [
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],
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"volume": 317.0958315378776,
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"formula_full": "Mg14 Zn1 Si1 O16",
"formula_reduced": "Mg14ZnSiO16",
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"spacegroup": 123
},
{
"id": "mp-1233414",
"created_at": "2022-09-04T14:46:56.233685Z",
"structure_string": "Sr4 Ca1 Mn2 Ga2 O11\n1.0\n-4.499867 4.059854 0.018079\n-4.500119 -4.060025 -0.018137\n-4.499945 0.034597 7.497141\nSr Ca Mn Ga O\n4 1 2 2 11\ndirect\n0.125725 0.636786 0.736472 Sr\n0.651774 0.159664 0.694771 Sr\n0.354538 0.846543 0.305222 Sr\n0.873229 0.362286 0.263530 Sr\n0.317708 0.817654 0.000000 Ca\n0.249357 0.249348 0.500016 Mn\n0.750654 0.750615 0.499999 Mn\n0.523877 0.401030 0.996974 Ga\n0.898115 0.021030 0.002998 Ga\n0.159127 0.028609 0.791497 O\n0.551331 0.661510 0.773672 O\n0.320152 0.450620 0.208497 O\n0.935199 0.824925 0.226340 O\n0.542552 0.015338 0.454547 O\n0.969884 0.497002 0.545488 O\n0.028394 0.028357 0.499968 O\n0.469913 0.469890 0.500011 O\n0.829275 0.329336 0.000014 O\n0.679172 0.838708 0.002976 O\n0.341452 0.182180 0.997011 O\n",
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"density_atomic": 0.07300963922786086,
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"formula_full": "Sr4 Ca1 Mn2 Ga2 O11",
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"spacegroup": 5
},
{
"id": "mp-865045",
"created_at": "2022-09-04T14:46:58.860095Z",
"structure_string": "Mn2 Ru6\n1.0\n5.385793 -0.000266 0.000000\n-2.693126 4.664580 0.000000\n0.000000 0.000000 4.245482\nMn Ru\n2 6\ndirect\n0.666664 0.333338 0.250000 Mn\n0.333343 0.666666 0.750000 Mn\n0.830266 0.169779 0.750000 Ru\n0.339530 0.169748 0.750000 Ru\n0.830237 0.660455 0.750000 Ru\n0.169712 0.830240 0.250000 Ru\n0.660497 0.830262 0.250000 Ru\n0.169747 0.339503 0.250000 Ru\n",
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"volume": 106.65392019864316,
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"formula_full": "Mn2 Ru6",
"formula_reduced": "MnRu3",
"formula_anonymous": "AB3",
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{
"id": "mp-1189696",
"created_at": "2022-09-04T14:46:58.883325Z",
"structure_string": "Si10 Ir8\n1.0\n0.000000 3.652787 0.000000\n0.007194 0.000000 5.943348\n12.258334 0.000000 -2.184314\nSi Ir\n10 8\ndirect\n0.250000 0.642838 0.637080 Si\n0.750000 0.357162 0.362920 Si\n0.250000 0.890462 0.424153 Si\n0.750000 0.109538 0.575847 Si\n0.250000 0.472202 0.224622 Si\n0.750000 0.527798 0.775378 Si\n0.750000 0.978297 0.140990 Si\n0.250000 0.021703 0.859010 Si\n0.250000 0.491307 0.921613 Si\n0.750000 0.508693 0.078387 Si\n0.250000 0.218766 0.049268 Ir\n0.750000 0.781234 0.950732 Ir\n0.250000 0.107460 0.273657 Ir\n0.750000 0.892540 0.726343 Ir\n0.250000 0.300179 0.501538 Ir\n0.750000 0.699821 0.498462 Ir\n0.250000 0.289835 0.731213 Ir\n0.750000 0.710165 0.268787 Ir\n",
"nsites": 18,
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"elements": [
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],
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"formula_full": "Si10 Ir8",
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{
"id": "mp-754127",
"created_at": "2022-09-04T14:46:59.849179Z",
"structure_string": "Li2 Co4 P4 O16\n1.0\n5.265694 0.000000 0.000000\n1.441380 7.791206 0.000000\n0.461085 0.283979 8.758111\nLi Co P O\n2 4 4 16\ndirect\n0.882965 0.026114 0.355676 Li\n0.176191 0.448337 0.772270 Li\n0.756736 0.810621 0.902362 Co\n0.681823 0.322381 0.557192 Co\n0.305800 0.681868 0.440624 Co\n0.241257 0.202916 0.089512 Co\n0.762471 0.712893 0.570293 P\n0.764064 0.213349 0.896909 P\n0.236635 0.795883 0.102089 P\n0.237737 0.282797 0.435603 P\n0.941935 0.805288 0.466061 O\n0.989132 0.734204 0.051504 O\n0.878406 0.667518 0.731091 O\n0.746667 0.537534 0.494722 O\n0.823533 0.026708 0.838572 O\n0.484651 0.811293 0.579622 O\n0.599644 0.327149 0.771660 O\n0.603813 0.223828 0.048170 O\n0.415264 0.804000 0.954740 O\n0.371450 0.669651 0.220981 O\n0.522582 0.174460 0.438714 O\n0.152569 0.978686 0.167127 O\n0.274667 0.439047 0.534295 O\n0.156072 0.333990 0.274530 O\n0.021152 0.280857 0.910342 O\n0.035985 0.187847 0.520960 O\n",
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{
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"structure_string": "Pr2 Ru4\n1.0\n0.000000 3.855283 3.855283\n3.855283 0.000000 3.855283\n3.855283 3.855283 0.000000\nPr Ru\n2 4\ndirect\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Pr\n0.125000 0.125000 0.625000 Ru\n0.125000 0.625000 0.125000 Ru\n0.125000 0.125000 0.125000 Ru\n0.625000 0.125000 0.125000 Ru\n",
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{
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"structure_string": "Re2 Rh6\n1.0\n2.755969 -4.773479 0.000000\n2.755969 4.773479 0.000000\n0.000000 0.000000 4.366316\nRe Rh\n2 6\ndirect\n0.333333 0.666667 0.750000 Re\n0.666667 0.333333 0.250000 Re\n0.168959 0.337917 0.250000 Rh\n0.662083 0.831041 0.250000 Rh\n0.168959 0.831041 0.250000 Rh\n0.831041 0.662083 0.750000 Rh\n0.337917 0.168959 0.750000 Rh\n0.831041 0.168959 0.750000 Rh\n",
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{
"id": "mp-555865",
"created_at": "2022-09-04T14:46:41.405857Z",
"structure_string": "Na2 Sr7 Al6 F34\n1.0\n5.500059 8.129948 0.000000\n-5.500059 8.129948 0.000000\n0.000000 1.449596 7.230542\nNa Sr Al F\n2 7 6 34\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.551805 0.156927 0.302724 Sr\n0.739746 0.739746 0.118258 Sr\n0.260254 0.260254 0.881742 Sr\n0.843073 0.448195 0.697276 Sr\n0.156927 0.551805 0.302724 Sr\n0.448195 0.843073 0.697276 Sr\n0.000000 0.000000 0.000000 Sr\n0.132567 0.647021 0.798179 Al\n0.168313 0.168313 0.456574 Al\n0.867433 0.352979 0.201821 Al\n0.647021 0.132567 0.798179 Al\n0.831687 0.831687 0.543426 Al\n0.352979 0.867433 0.201821 Al\n0.778375 0.221900 0.794964 F\n0.989341 0.223025 0.370698 F\n0.221625 0.778100 0.205036 F\n0.885958 0.651994 0.457907 F\n0.037801 0.517743 0.811905 F\n0.348006 0.114042 0.542093 F\n0.754131 0.754131 0.762891 F\n0.245869 0.245869 0.237109 F\n0.252744 0.514183 0.964383 F\n0.444799 0.744372 0.391359 F\n0.223025 0.989341 0.370698 F\n0.998606 0.262211 0.007181 F\n0.776975 0.010659 0.629302 F\n0.747256 0.485817 0.035617 F\n0.737789 0.001394 0.992819 F\n0.262211 0.998606 0.007181 F\n0.517743 0.037801 0.811905 F\n0.010659 0.776975 0.629302 F\n0.114042 0.348006 0.542093 F\n0.255628 0.555201 0.608641 F\n0.778100 0.221625 0.205036 F\n0.101310 0.101310 0.683512 F\n0.962199 0.482257 0.188095 F\n0.898690 0.898690 0.316488 F\n0.744372 0.444799 0.391359 F\n0.001394 0.737789 0.992819 F\n0.651994 0.885958 0.457907 F\n0.482257 0.962199 0.188095 F\n0.485817 0.747256 0.035617 F\n0.514183 0.252744 0.964383 F\n0.221900 0.778375 0.794964 F\n0.555201 0.255628 0.608641 F\n0.422778 0.422778 0.280600 F\n0.577222 0.577222 0.719400 F\n",
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{
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