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{
"id": "mp-773072",
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"structure_string": "Ba8 Li1 Nb7 O24\n1.0\n2.961194 -5.128938 0.000000\n2.961194 5.128938 0.000000\n0.000000 0.000000 19.222466\nBa Li Nb O\n8 1 7 24\ndirect\n0.666667 0.333333 0.132153 Ba\n0.666667 0.333333 0.752082 Ba\n0.333333 0.666667 0.994208 Ba\n0.666667 0.333333 0.365220 Ba\n0.333333 0.666667 0.502177 Ba\n0.000000 0.000000 0.249666 Ba\n0.000000 0.000000 0.856797 Ba\n0.000000 0.000000 0.634799 Ba\n0.333333 0.666667 0.831427 Li\n0.666667 0.333333 0.560443 Nb\n0.333333 0.666667 0.182460 Nb\n0.333333 0.666667 0.317932 Nb\n0.333333 0.666667 0.690021 Nb\n0.666667 0.333333 0.934042 Nb\n0.000000 0.000000 0.059901 Nb\n0.000000 0.000000 0.439479 Nb\n0.495099 0.504901 0.249809 O\n0.331646 0.165823 0.003762 O\n0.334383 0.167192 0.499152 O\n0.501842 0.498158 0.620684 O\n0.507027 0.492973 0.881140 O\n0.501842 0.003683 0.620684 O\n0.507027 0.014054 0.881140 O\n0.495099 0.990198 0.249809 O\n0.650481 0.825240 0.743498 O\n0.996317 0.498158 0.620684 O\n0.985946 0.492973 0.881140 O\n0.834177 0.165823 0.003762 O\n0.832808 0.167192 0.499152 O\n0.672284 0.836142 0.124287 O\n0.671096 0.835548 0.376737 O\n0.009802 0.504901 0.249809 O\n0.164452 0.328904 0.376737 O\n0.834177 0.668354 0.003762 O\n0.832808 0.665617 0.499152 O\n0.163858 0.327716 0.124287 O\n0.174760 0.349519 0.743498 O\n0.163858 0.836142 0.124287 O\n0.164452 0.835548 0.376737 O\n0.174760 0.825240 0.743498 O\n",
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{
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"structure_string": "Li10 Fe2 P8 O28\n1.0\n7.012112 0.000000 0.000000\n2.973502 8.193612 0.000000\n1.699702 1.172966 8.963656\nLi Fe P O\n10 2 8 28\ndirect\n0.309016 0.179654 0.270225 Li\n0.260732 0.254523 0.579194 Li\n0.759847 0.270442 0.104365 Li\n0.048383 0.518883 0.143858 Li\n0.421689 0.486525 0.346148 Li\n0.578311 0.513475 0.653852 Li\n0.951617 0.481117 0.856142 Li\n0.240153 0.729558 0.895635 Li\n0.739268 0.745477 0.420806 Li\n0.690984 0.820346 0.729775 Li\n0.859996 0.139972 0.756802 Fe\n0.140004 0.860028 0.243198 Fe\n0.174331 0.109358 0.971543 P\n0.706678 0.099378 0.450010 P\n0.406177 0.341187 0.948968 P\n0.870626 0.376829 0.431406 P\n0.129374 0.623171 0.568594 P\n0.593823 0.658813 0.051032 P\n0.293322 0.900622 0.549990 P\n0.825669 0.890642 0.028457 P\n0.173715 0.051390 0.629673 O\n0.116831 0.114554 0.142223 O\n0.766706 0.063660 0.058870 O\n0.725397 0.066457 0.619241 O\n0.006130 0.233242 0.878840 O\n0.485393 0.180701 0.420914 O\n0.366371 0.176161 0.917419 O\n0.077702 0.376618 0.345468 O\n0.441353 0.321220 0.111200 O\n0.820204 0.233199 0.371072 O\n0.596985 0.336899 0.832753 O\n0.874420 0.329485 0.601561 O\n0.215173 0.490799 0.919929 O\n0.308231 0.464954 0.591872 O\n0.691769 0.535046 0.408128 O\n0.784827 0.509201 0.080071 O\n0.125580 0.670515 0.398439 O\n0.403015 0.663101 0.167247 O\n0.179796 0.766801 0.628928 O\n0.558647 0.678780 0.888800 O\n0.922298 0.623382 0.654532 O\n0.633629 0.823839 0.082581 O\n0.514607 0.819299 0.579086 O\n0.993870 0.766758 0.121160 O\n0.274603 0.933543 0.380759 O\n0.233294 0.936340 0.941130 O\n0.883169 0.885446 0.857777 O\n0.826285 0.948610 0.370327 O\n",
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{
"id": "mp-776258",
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"structure_string": "Mg8 Cu22 O30\n1.0\n4.034430 0.000000 0.000000\n0.000000 9.563792 0.000000\n0.000000 0.000000 16.286403\nMg Cu O\n8 22 30\ndirect\n0.000000 0.500000 0.280674 Mg\n0.000000 0.500000 0.480798 Mg\n0.000000 0.500000 0.680464 Mg\n0.000000 0.500000 0.880428 Mg\n0.000000 0.500000 0.080563 Mg\n0.500000 0.000000 0.118732 Mg\n0.500000 0.000000 0.319251 Mg\n0.500000 0.000000 0.520357 Mg\n0.000000 0.835693 0.030719 Cu\n0.000000 0.836737 0.229792 Cu\n0.000000 0.164307 0.030719 Cu\n0.000000 0.836708 0.430131 Cu\n0.000000 0.163263 0.229792 Cu\n0.000000 0.836391 0.630883 Cu\n0.000000 0.163292 0.430131 Cu\n0.000000 0.835882 0.831562 Cu\n0.000000 0.163609 0.630883 Cu\n0.000000 0.164118 0.831562 Cu\n0.500000 0.336403 0.169723 Cu\n0.500000 0.663597 0.169723 Cu\n0.500000 0.000000 0.921209 Cu\n0.500000 0.000000 0.721693 Cu\n0.500000 0.336715 0.370106 Cu\n0.500000 0.336663 0.568290 Cu\n0.500000 0.663337 0.568290 Cu\n0.500000 0.663285 0.370106 Cu\n0.500000 0.337009 0.768677 Cu\n0.500000 0.337187 0.969659 Cu\n0.500000 0.662991 0.768677 Cu\n0.500000 0.662813 0.969659 Cu\n0.000000 0.000000 0.096680 O\n0.000000 0.000000 0.296657 O\n0.000000 0.000000 0.496666 O\n0.000000 0.000000 0.696073 O\n0.000000 0.348862 0.182221 O\n0.000000 0.348576 0.382326 O\n0.000000 0.000000 0.896289 O\n0.000000 0.348237 0.582566 O\n0.000000 0.348167 0.782862 O\n0.000000 0.348954 0.982226 O\n0.000000 0.651424 0.382326 O\n0.000000 0.651763 0.582566 O\n0.000000 0.651138 0.182221 O\n0.000000 0.651833 0.782862 O\n0.000000 0.651046 0.982226 O\n0.500000 0.846255 0.019126 O\n0.500000 0.848969 0.217667 O\n0.500000 0.848846 0.417752 O\n0.500000 0.846330 0.616917 O\n0.500000 0.153745 0.019126 O\n0.500000 0.151031 0.217667 O\n0.500000 0.500000 0.102988 O\n0.500000 0.845407 0.817888 O\n0.500000 0.151154 0.417752 O\n0.500000 0.153670 0.616917 O\n0.500000 0.500000 0.303155 O\n0.500000 0.500000 0.501401 O\n0.500000 0.154593 0.817888 O\n0.500000 0.500000 0.701402 O\n0.500000 0.500000 0.902339 O\n",
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"formula_full": "Mg8 Cu22 O30",
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{
"id": "mp-695512",
"created_at": "2022-09-04T14:40:20.962249Z",
"structure_string": "Na6 La2 Ti4 Nb4 O24\n1.0\n7.927437 0.000000 0.000000\n0.000000 7.780495 0.000000\n0.000000 7.777459 7.836877\nNa La Ti Nb O\n6 2 4 4 24\ndirect\n0.245258 0.500000 0.250000 Na\n0.748829 0.500000 0.250000 Na\n0.251171 0.500000 0.750000 Na\n0.754742 0.500000 0.750000 Na\n0.758345 0.000000 0.750000 Na\n0.241655 0.000000 0.250000 Na\n0.258463 0.000000 0.750000 La\n0.741537 0.000000 0.250000 La\n0.500000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.247886 0.468381 0.498779 O\n0.252557 0.033952 0.499037 O\n0.481204 0.806825 0.445665 O\n0.516628 0.710302 0.247860 O\n0.516628 0.289698 0.252140 O\n0.481204 0.193175 0.054335 O\n0.518796 0.806825 0.945665 O\n0.483372 0.710302 0.747860 O\n0.483372 0.289698 0.752140 O\n0.747443 0.033952 0.999037 O\n0.752114 0.468381 0.998779 O\n0.518796 0.193175 0.554335 O\n0.023082 0.296139 0.955996 O\n0.747443 0.966048 0.500963 O\n0.752114 0.531619 0.501221 O\n0.006087 0.198752 0.747561 O\n0.006087 0.801248 0.752439 O\n0.023082 0.703861 0.544004 O\n0.976918 0.296139 0.455996 O\n0.993913 0.198752 0.247561 O\n0.993913 0.801248 0.252439 O\n0.976918 0.703861 0.044004 O\n0.247886 0.531619 0.001221 O\n0.252557 0.966048 0.000963 O\n",
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{
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"structure_string": "Ca2 Ti6 P6 O26\n1.0\n6.473573 0.000000 0.000000\n0.000000 7.754991 0.000000\n0.000000 1.767257 10.254303\nCa Ti P O\n2 6 6 26\ndirect\n0.750000 0.349678 0.191420 Ca\n0.250000 0.650322 0.808580 Ca\n0.250000 0.648788 0.199889 Ti\n0.750000 0.351212 0.800111 Ti\n0.250000 0.207392 0.436405 Ti\n0.500000 0.000000 0.000000 Ti\n0.750000 0.792608 0.563595 Ti\n0.000000 0.000000 0.000000 Ti\n0.250000 0.780720 0.490684 P\n0.750000 0.219280 0.509316 P\n0.250000 0.262855 0.761485 P\n0.750000 0.737145 0.238515 P\n0.750000 0.682169 0.884747 P\n0.250000 0.317831 0.115253 P\n0.750000 0.640037 0.742448 O\n0.561469 0.249447 0.416315 O\n0.250000 0.215094 0.624877 O\n0.551088 0.786709 0.902682 O\n0.750000 0.340807 0.609947 O\n0.750000 0.133626 0.904904 O\n0.250000 0.659193 0.390053 O\n0.051088 0.213291 0.097318 O\n0.250000 0.974140 0.416095 O\n0.750000 0.025860 0.583905 O\n0.063540 0.378942 0.785339 O\n0.250000 0.866374 0.095096 O\n0.563540 0.621058 0.214661 O\n0.750000 0.495061 0.964982 O\n0.750000 0.784906 0.375123 O\n0.448912 0.213291 0.097318 O\n0.938531 0.249447 0.416315 O\n0.438531 0.750553 0.583685 O\n0.436460 0.378942 0.785339 O\n0.250000 0.359963 0.257552 O\n0.750000 0.909414 0.134956 O\n0.250000 0.090586 0.865044 O\n0.936460 0.621058 0.214661 O\n0.948912 0.786709 0.902682 O\n0.061469 0.750553 0.583685 O\n0.250000 0.504939 0.035018 O\n",
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},
{
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"structure_string": "Li13 Co15 O28\n1.0\n7.769220 0.000000 0.000000\n-2.072288 7.991638 0.000000\n-2.298159 -2.808242 8.115743\nLi Co O\n13 15 28\ndirect\n0.071553 0.711017 0.784796 Li\n0.355321 0.571573 0.927338 Li\n0.145701 0.429534 0.572259 Li\n0.283539 0.853637 0.142645 Li\n0.782296 0.853559 0.639780 Li\n0.429992 0.287534 0.713544 Li\n0.570008 0.712466 0.286456 Li\n0.716461 0.146363 0.857355 Li\n0.854299 0.570466 0.427741 Li\n0.217704 0.146441 0.360220 Li\n0.500000 0.000000 0.500000 Li\n0.644679 0.428427 0.072662 Li\n0.928447 0.288983 0.215204 Li\n0.140958 0.928458 0.566106 Co\n0.428409 0.786049 0.712799 Co\n0.066091 0.215642 0.786526 Co\n0.712278 0.639590 0.853136 Co\n0.211922 0.643240 0.359674 Co\n0.646799 0.931827 0.076724 Co\n0.000000 0.500000 0.000000 Co\n0.353201 0.068173 0.923276 Co\n0.500000 0.500000 0.500000 Co\n0.788078 0.356760 0.640326 Co\n0.933909 0.784358 0.213474 Co\n0.287722 0.360410 0.146864 Co\n0.571591 0.213951 0.287201 Co\n0.000000 0.000000 0.000000 Co\n0.859042 0.071542 0.433894 Co\n0.070218 0.969942 0.801056 O\n0.367719 0.833415 0.925163 O\n0.143116 0.694644 0.560234 O\n0.068379 0.458274 0.789071 O\n0.203809 0.885567 0.348788 O\n0.004929 0.236960 0.997711 O\n0.727940 0.890003 0.870842 O\n0.439610 0.543730 0.702925 O\n0.595982 0.976397 0.294855 O\n0.346507 0.307449 0.925239 O\n0.490696 0.733898 0.504633 O\n0.875747 0.842531 0.431279 O\n0.721063 0.405841 0.850422 O\n0.765417 0.595051 0.635831 O\n0.234583 0.404949 0.364169 O\n0.278937 0.594159 0.149578 O\n0.124253 0.157469 0.568721 O\n0.653493 0.692551 0.074761 O\n0.404018 0.023603 0.705145 O\n0.509304 0.266102 0.495367 O\n0.560390 0.456270 0.297075 O\n0.856884 0.305356 0.439766 O\n0.796191 0.114433 0.651212 O\n0.272060 0.109997 0.129158 O\n0.931621 0.541726 0.210929 O\n0.995071 0.763040 0.002289 O\n0.632281 0.166585 0.074837 O\n0.929782 0.030058 0.198944 O\n",
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},
{
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