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{
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{
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{
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"structure_string": "Li9 Co7 O16\n1.0\n2.924231 0.000000 0.000000\n0.000000 9.870767 0.000000\n0.000000 1.830213 9.912077\nLi Co O\n9 7 16\ndirect\n0.500000 0.248064 0.625969 Li\n0.500000 0.751936 0.374031 Li\n0.500000 0.246602 0.125701 Li\n0.000000 0.252223 0.374154 Li\n0.000000 0.754684 0.121750 Li\n0.000000 0.245316 0.878250 Li\n0.500000 0.753398 0.874299 Li\n0.000000 0.747777 0.625846 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.997535 0.761165 Co\n0.000000 0.002465 0.238835 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.501939 0.249347 Co\n0.500000 0.498061 0.750653 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.114907 0.805441 O\n0.500000 0.615985 0.561935 O\n0.500000 0.111681 0.316062 O\n0.000000 0.110105 0.570473 O\n0.000000 0.615615 0.314219 O\n0.000000 0.113352 0.082529 O\n0.500000 0.618198 0.060610 O\n0.000000 0.613668 0.814501 O\n0.500000 0.384015 0.438065 O\n0.500000 0.885093 0.194559 O\n0.500000 0.381802 0.939390 O\n0.000000 0.386332 0.185499 O\n0.000000 0.886648 0.917471 O\n0.000000 0.384385 0.685781 O\n0.500000 0.888319 0.683938 O\n0.000000 0.889895 0.429527 O\n",
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{
"id": "mp-1214365",
"created_at": "2022-09-04T14:45:09.404042Z",
"structure_string": "Ba2 Sc12 Ni8 O30\n1.0\n5.329992 -5.939102 0.000000\n5.329992 5.939102 0.000000\n0.000000 0.000000 9.756269\nBa Sc Ni O\n2 12 8 30\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.187165 0.187165 0.139426 Sc\n0.812835 0.812835 0.860574 Sc\n0.312835 0.312835 0.639426 Sc\n0.687165 0.687165 0.360574 Sc\n0.280797 0.547708 0.354956 Sc\n0.719203 0.452292 0.645044 Sc\n0.219203 0.952292 0.854956 Sc\n0.047708 0.780797 0.145044 Sc\n0.780797 0.047708 0.145044 Sc\n0.952292 0.219203 0.854956 Sc\n0.452292 0.719203 0.645044 Sc\n0.547708 0.280797 0.354956 Sc\n0.905250 0.420574 0.116577 Ni\n0.094750 0.579426 0.883423 Ni\n0.594750 0.079426 0.616577 Ni\n0.920574 0.405250 0.383423 Ni\n0.405250 0.920574 0.383423 Ni\n0.079426 0.594750 0.616577 Ni\n0.579426 0.094750 0.883423 Ni\n0.420574 0.905250 0.116577 Ni\n0.060098 0.560098 0.250000 O\n0.939902 0.439902 0.750000 O\n0.439902 0.939902 0.750000 O\n0.560098 0.060098 0.250000 O\n0.958720 0.218299 0.244649 O\n0.041280 0.781701 0.755351 O\n0.541280 0.281701 0.744649 O\n0.718299 0.458720 0.255351 O\n0.458720 0.718299 0.255351 O\n0.281701 0.541280 0.744649 O\n0.781701 0.041280 0.755351 O\n0.218299 0.958720 0.244649 O\n0.352932 0.352932 0.238170 O\n0.647068 0.647068 0.761830 O\n0.147068 0.147068 0.738170 O\n0.852932 0.852932 0.261830 O\n0.103470 0.363467 0.998036 O\n0.896530 0.636533 0.001964 O\n0.396530 0.136533 0.498036 O\n0.863467 0.603470 0.501964 O\n0.603470 0.863467 0.501964 O\n0.136533 0.396530 0.498036 O\n0.636533 0.896530 0.001964 O\n0.363467 0.103470 0.998036 O\n0.748731 0.251269 0.000000 O\n0.251269 0.748731 0.000000 O\n0.751269 0.248731 0.500000 O\n0.248731 0.751269 0.500000 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
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"formula_full": "Ba2 Sc12 Ni8 O30",
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{
"id": "mp-1174549",
"created_at": "2022-09-04T14:45:09.293223Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n1.431390 2.625269 0.000000\n-1.431390 2.625269 0.000000\n0.000000 1.957813 34.447226\nLi Mn Co O\n8 2 4 14\ndirect\n0.717737 0.717737 0.927174 Li\n0.139810 0.139810 0.787232 Li\n0.574544 0.574544 0.641094 Li\n0.007003 0.007003 0.498306 Li\n0.420654 0.420654 0.358688 Li\n0.854867 0.854867 0.215197 Li\n0.283822 0.283822 0.072387 Li\n0.714875 0.714875 0.428466 Li\n0.000656 0.000656 0.000067 Mn\n0.856493 0.856493 0.714155 Mn\n0.428591 0.428591 0.857219 Co\n0.288623 0.288623 0.571838 Co\n0.140519 0.140519 0.284925 Co\n0.571316 0.571316 0.143320 Co\n0.379191 0.379191 0.967071 O\n0.778994 0.778994 0.824223 O\n0.235176 0.235176 0.680905 O\n0.652806 0.652806 0.542455 O\n0.073385 0.073385 0.391071 O\n0.513773 0.513773 0.253226 O\n0.925815 0.925815 0.110849 O\n0.077917 0.077917 0.890212 O\n0.478466 0.478466 0.747129 O\n0.915218 0.915218 0.603601 O\n0.355080 0.355080 0.465899 O\n0.775867 0.775867 0.314346 O\n0.218128 0.218128 0.175470 O\n0.620677 0.620677 0.033474 O\n",
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{
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"structure_string": "Mg4 Mo2 N6\n1.0\n6.231444 0.048618 0.000000\n-3.074143 5.323970 0.000000\n0.000000 0.000000 4.325854\nMg Mo N\n4 2 6\ndirect\n0.337722 0.329491 0.428667 Mg\n0.662278 0.991769 0.428667 Mg\n0.662278 0.670509 0.928667 Mg\n0.337722 0.008231 0.928667 Mg\n0.000000 0.659847 0.428667 Mo\n0.000000 0.340153 0.928667 Mo\n0.308950 0.340747 0.928667 N\n0.691050 0.031798 0.928667 N\n0.691050 0.659253 0.428667 N\n0.308950 0.968202 0.428667 N\n0.000000 0.666852 0.928667 N\n0.000000 0.333148 0.428667 N\n",
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{
"id": "mp-1013898",
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"structure_string": "Li2 Mo6 P6 O26\n1.0\n6.665637 0.000000 0.000000\n0.000000 7.677508 0.000000\n0.000000 1.787639 10.818748\nLi Mo P O\n2 6 6 26\ndirect\n0.750000 0.417895 0.133982 Li\n0.250000 0.582105 0.866018 Li\n0.250000 0.639501 0.202374 Mo\n0.750000 0.360499 0.797626 Mo\n0.250000 0.233961 0.451984 Mo\n0.500000 0.000000 0.000000 Mo\n0.750000 0.766039 0.548016 Mo\n0.000000 0.000000 0.000000 Mo\n0.250000 0.787168 0.481954 P\n0.750000 0.212832 0.518046 P\n0.250000 0.264859 0.773461 P\n0.750000 0.735141 0.226539 P\n0.750000 0.693303 0.877295 P\n0.250000 0.306697 0.122705 P\n0.750000 0.647189 0.742379 O\n0.563843 0.258778 0.437297 O\n0.250000 0.206863 0.648199 O\n0.555037 0.788649 0.899817 O\n0.750000 0.336382 0.620595 O\n0.750000 0.135859 0.905438 O\n0.250000 0.663618 0.379405 O\n0.055037 0.211351 0.100183 O\n0.250000 0.978748 0.411501 O\n0.750000 0.021252 0.588499 O\n0.068039 0.379145 0.799352 O\n0.250000 0.864141 0.094562 O\n0.568039 0.620855 0.200648 O\n0.750000 0.500119 0.951114 O\n0.750000 0.793137 0.351801 O\n0.444963 0.211351 0.100183 O\n0.936157 0.258778 0.437297 O\n0.436157 0.741222 0.562703 O\n0.431961 0.379145 0.799352 O\n0.250000 0.352811 0.257621 O\n0.750000 0.906876 0.122735 O\n0.250000 0.093124 0.877265 O\n0.931961 0.620855 0.200648 O\n0.944963 0.788649 0.899817 O\n0.063843 0.741222 0.562703 O\n0.250000 0.499881 0.048886 O\n",
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{
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"structure_string": "Li12 Mn4 P8 O32\n1.0\n0.000013 6.059660 -0.000004\n-0.183857 -0.000007 9.479227\n10.097777 0.000022 -0.198719\nLi Mn P O\n12 4 8 32\ndirect\n0.000004 0.999999 0.000003 Li\n0.000003 0.500003 0.999999 Li\n0.499997 0.999998 0.000003 Li\n0.499997 0.500002 0.000000 Li\n0.749999 0.237851 0.215321 Li\n0.749999 0.737838 0.215330 Li\n0.250002 0.262160 0.784661 Li\n0.250000 0.762147 0.784671 Li\n0.000007 0.249997 0.500002 Li\n0.999989 0.750002 0.499996 Li\n0.499992 0.249998 0.500002 Li\n0.500013 0.750002 0.499995 Li\n0.249998 0.984900 0.283287 Mn\n0.750003 0.015104 0.716745 Mn\n0.249995 0.484871 0.283255 Mn\n0.749999 0.515103 0.716737 Mn\n0.250001 0.202530 0.103698 P\n0.249995 0.702538 0.103712 P\n0.750002 0.297467 0.896288 P\n0.750000 0.797465 0.896301 P\n0.749999 0.466478 0.408817 P\n0.750004 0.966482 0.408822 P\n0.250000 0.033522 0.591191 P\n0.249998 0.533522 0.591179 P\n0.749997 0.347351 0.042544 O\n0.749999 0.847344 0.042554 O\n0.250011 0.152654 0.957442 O\n0.250003 0.652658 0.957452 O\n0.249998 0.369129 0.116758 O\n0.250002 0.869123 0.116798 O\n0.750006 0.130881 0.883219 O\n0.749996 0.630866 0.883238 O\n0.750001 0.126299 0.416347 O\n0.750003 0.626294 0.416350 O\n0.250000 0.373706 0.583645 O\n0.250002 0.873705 0.583647 O\n0.249998 0.098595 0.446867 O\n0.249996 0.598582 0.446854 O\n0.750002 0.401412 0.553140 O\n0.750004 0.901419 0.553149 O\n0.047000 0.136756 0.173847 O\n0.046989 0.636743 0.173849 O\n0.452995 0.136754 0.173853 O\n0.452991 0.636738 0.173857 O\n0.547003 0.363257 0.826136 O\n0.547005 0.863247 0.826149 O\n0.953003 0.363260 0.826140 O\n0.952998 0.863244 0.826150 O\n0.544574 0.396900 0.339921 O\n0.544576 0.896900 0.339934 O\n0.955424 0.396898 0.339918 O\n0.955437 0.896902 0.339934 O\n0.044562 0.103101 0.660074 O\n0.044570 0.603099 0.660074 O\n0.455433 0.103102 0.660072 O\n0.455426 0.603100 0.660072 O\n",
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