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{
"id": "mp-778905",
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"structure_string": "Ti34 N12 O48\n1.0\n10.397777 0.000000 0.000000\n-3.796384 10.644829 0.000000\n-4.225332 -3.569656 10.058571\nTi N O\n34 12 48\ndirect\n0.147460 0.571646 0.644563 Ti\n0.174639 0.072471 0.570960 Ti\n0.072747 0.748309 0.483428 Ti\n0.645972 0.576606 0.649268 Ti\n0.676924 0.072064 0.570949 Ti\n0.427722 0.250658 0.519738 Ti\n0.178932 0.076440 0.234013 Ti\n0.323076 0.927936 0.429051 Ti\n0.147435 0.572570 0.311244 Ti\n0.354028 0.423394 0.350732 Ti\n0.572278 0.749342 0.480262 Ti\n0.927253 0.251691 0.516572 Ti\n0.071446 0.750278 0.146924 Ti\n0.672109 0.070059 0.235461 Ti\n0.640667 0.552857 0.305595 Ti\n0.852540 0.428354 0.355437 Ti\n0.825361 0.927529 0.429040 Ti\n0.179406 0.077053 0.910229 Ti\n0.928509 0.249274 0.183664 Ti\n0.148206 0.574616 0.978467 Ti\n0.334218 0.942749 0.101631 Ti\n0.353307 0.423335 0.026037 Ti\n0.572469 0.749202 0.150925 Ti\n0.071491 0.750726 0.816336 Ti\n0.820594 0.922947 0.089771 Ti\n0.646693 0.576665 0.973963 Ti\n0.427531 0.250798 0.849075 Ti\n0.665782 0.057251 0.898369 Ti\n0.851794 0.425384 0.021533 Ti\n0.327891 0.929941 0.764539 Ti\n0.359333 0.447143 0.694405 Ti\n0.928554 0.249722 0.853076 Ti\n0.821068 0.923560 0.765987 Ti\n0.852565 0.427430 0.688756 Ti\n0.352130 0.249362 0.658350 N\n0.855651 0.249773 0.661362 N\n0.144349 0.750227 0.338638 N\n0.345347 0.250460 0.338071 N\n0.647870 0.750638 0.341650 N\n0.857867 0.249834 0.326198 N\n0.144568 0.750829 0.006492 N\n0.345596 0.250597 0.976757 N\n0.855432 0.249171 0.993508 N\n0.654404 0.749403 0.023243 N\n0.142133 0.750166 0.673802 N\n0.654653 0.749540 0.661929 N\n0.139847 0.377282 0.609796 O\n0.010170 0.117820 0.522736 O\n0.409392 0.438178 0.544579 O\n0.279981 0.935625 0.582552 O\n0.222184 0.063472 0.419832 O\n0.643109 0.379578 0.608632 O\n0.096867 0.565007 0.459802 O\n0.511985 0.118485 0.524027 O\n0.488015 0.881515 0.475973 O\n0.903133 0.434993 0.540198 O\n0.012429 0.119837 0.192824 O\n0.356891 0.620422 0.391368 O\n0.777816 0.936528 0.580168 O\n0.590608 0.561822 0.455421 O\n0.720019 0.064375 0.417448 O\n0.142895 0.381827 0.276783 O\n0.400406 0.448690 0.208313 O\n0.280447 0.938278 0.249430 O\n0.201827 0.052309 0.076124 O\n0.095276 0.564216 0.125209 O\n0.651341 0.389240 0.281853 O\n0.989830 0.882180 0.477264 O\n0.511567 0.109150 0.188473 O\n0.860153 0.622718 0.390204 O\n0.141837 0.380957 0.945391 O\n0.487563 0.877095 0.142196 O\n0.590907 0.561670 0.125672 O\n0.011340 0.119228 0.854960 O\n0.356338 0.618904 0.052636 O\n0.907175 0.436598 0.207799 O\n0.779826 0.933912 0.250991 O\n0.720654 0.061428 0.083198 O\n0.858163 0.619043 0.054609 O\n0.092825 0.563402 0.792201 O\n0.988660 0.880772 0.145040 O\n0.279346 0.938572 0.916802 O\n0.512437 0.122905 0.857804 O\n0.409093 0.438330 0.874328 O\n0.220174 0.066088 0.749009 O\n0.643662 0.381096 0.947364 O\n0.348659 0.610760 0.718147 O\n0.719553 0.061722 0.750570 O\n0.488433 0.890850 0.811527 O\n0.798173 0.947691 0.923876 O\n0.599594 0.551310 0.791687 O\n0.904724 0.435784 0.874791 O\n0.987571 0.880163 0.807176 O\n0.857105 0.618173 0.723217 O\n",
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"formula_full": "Ti34 N12 O48",
"formula_reduced": "Ti17(NO4)6",
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"spacegroup": 2
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{
"id": "mp-762633",
"created_at": "2022-09-04T14:46:05.589397Z",
"structure_string": "Li1 Mn2 Ni1 O6\n1.0\n-2.915938 0.000000 0.000000\n-0.154957 -5.893864 0.000000\n1.418088 1.680554 6.175752\nLi Mn Ni O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.177750 0.320856 0.837186 Mn\n0.822250 0.679144 0.162814 Mn\n0.500000 0.000000 0.500000 Ni\n0.945645 0.758349 0.469211 O\n0.326643 0.454734 0.151643 O\n0.054355 0.241651 0.530789 O\n0.324469 0.896505 0.188615 O\n0.673357 0.545266 0.848357 O\n0.675531 0.103495 0.811385 O\n",
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{
"id": "mp-1651415",
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"structure_string": "Li8 Mn4 P8 O28\n1.0\n6.521208 3.677098 3.329984\n6.521173 -3.677110 -3.329905\n-0.000053 7.355970 -6.661802\nLi Mn P O\n8 4 8 28\ndirect\n0.235184 0.234609 0.999340 Li\n0.736072 0.734407 0.499217 Li\n0.516105 0.014024 0.749937 Li\n0.015567 0.514174 0.249771 Li\n0.985918 0.483924 0.749997 Li\n0.485816 0.984334 0.249708 Li\n0.765272 0.764656 0.999339 Li\n0.265794 0.264162 0.499227 Li\n0.500793 0.499494 0.499948 Mn\n0.243981 0.755960 0.249681 Mn\n0.000323 0.999414 0.003041 Mn\n0.747482 0.252499 0.749045 Mn\n0.675974 0.099061 0.461512 P\n0.175220 0.599828 0.962327 P\n0.599469 0.175319 0.038121 P\n0.099565 0.675350 0.538298 P\n0.901056 0.324100 0.461540 P\n0.400036 0.824767 0.962307 P\n0.824584 0.400459 0.038119 P\n0.324804 0.900504 0.538298 P\n0.842860 0.157239 0.407274 O\n0.342145 0.657782 0.908080 O\n0.657775 0.342135 0.092068 O\n0.158268 0.841848 0.592495 O\n0.437124 0.177586 0.119785 O\n0.937970 0.676872 0.620725 O\n0.678096 0.936932 0.379616 O\n0.177537 0.437488 0.880587 O\n0.822363 0.562735 0.119812 O\n0.323178 0.062219 0.620605 O\n0.063266 0.321884 0.379711 O\n0.562353 0.822495 0.880615 O\n0.251254 0.981611 0.941947 O\n0.752430 0.481135 0.441343 O\n0.482031 0.751575 0.557350 O\n0.981594 0.251905 0.058657 O\n0.691414 0.075524 0.614446 O\n0.190293 0.576942 0.115392 O\n0.576101 0.190417 0.885108 O\n0.074084 0.691931 0.385683 O\n0.924408 0.308681 0.614501 O\n0.422906 0.809699 0.115377 O\n0.809426 0.423928 0.885124 O\n0.308301 0.925690 0.385635 O\n0.248613 0.518148 0.557154 O\n0.747898 0.018270 0.058752 O\n0.018294 0.748481 0.941973 O\n0.519001 0.247806 0.441414 O\n",
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"formula_full": "Li8 Mn4 P8 O28",
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{
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"structure_string": "Tl6 S1\n1.0\n3.285753 -5.691091 0.000000\n3.285753 5.691091 0.000000\n0.000000 0.000000 6.009615\nTl S\n6 1\ndirect\n0.350122 0.350122 0.992219 Tl\n0.615008 0.615008 0.476412 Tl\n0.384992 0.000000 0.476412 Tl\n0.000000 0.649878 0.992219 Tl\n0.000000 0.384992 0.476412 Tl\n0.649878 0.000000 0.992219 Tl\n0.000000 0.000000 0.696838 S\n",
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{
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{
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{
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{
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"structure_string": "Rb1 In6 Au4\n1.0\n4.156784 -7.199761 0.000000\n4.156784 7.199761 0.000000\n0.000000 0.000000 4.552754\nRb In Au\n1 6 4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.534749 0.465251 0.000000 In\n0.197985 0.802015 0.500000 In\n0.534749 0.069497 0.000000 In\n0.197985 0.395970 0.500000 In\n0.930503 0.465251 0.000000 In\n0.604030 0.802015 0.500000 In\n0.793929 0.206071 0.500000 Au\n0.333333 0.666667 0.000000 Au\n0.793929 0.587858 0.500000 Au\n0.412142 0.206071 0.500000 Au\n",
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{
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