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{
"id": "mp-3488",
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"structure_string": "Na4 Ti6 O14\n1.0\n3.820460 0.000000 0.000000\n0.000000 8.661788 0.000000\n0.000000 1.879951 9.046931\nNa Ti O\n4 6 14\ndirect\n0.750000 0.499606 0.842429 Na\n0.250000 0.500394 0.157571 Na\n0.750000 0.682081 0.408746 Na\n0.250000 0.317919 0.591254 Na\n0.750000 0.031346 0.720680 Ti\n0.250000 0.968654 0.279320 Ti\n0.750000 0.247935 0.325032 Ti\n0.250000 0.752065 0.674968 Ti\n0.750000 0.146733 0.015460 Ti\n0.250000 0.853267 0.984540 Ti\n0.750000 0.915056 0.956046 O\n0.250000 0.084944 0.043954 O\n0.750000 0.805019 0.682109 O\n0.250000 0.194981 0.317891 O\n0.750000 0.014140 0.246930 O\n0.250000 0.985860 0.753070 O\n0.750000 0.324069 0.091560 O\n0.250000 0.675931 0.908440 O\n0.750000 0.443195 0.345728 O\n0.250000 0.556805 0.654272 O\n0.250000 0.781413 0.186746 O\n0.750000 0.218587 0.813254 O\n0.250000 0.849179 0.461305 O\n0.750000 0.150821 0.538695 O\n",
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{
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"formula_full": "Nd2 Ni24 B12",
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},
{
"id": "mp-755400",
"created_at": "2022-09-04T14:39:06.080887Z",
"structure_string": "Li8 Fe1 O5 F1\n1.0\n5.395117 0.000000 0.000000\n-2.465291 4.856965 0.000000\n-2.532022 -1.395559 5.174006\nLi Fe O F\n8 1 5 1\ndirect\n0.244979 0.474113 0.355694 Li\n0.126799 0.233000 0.658416 Li\n0.403375 0.894870 0.636084 Li\n0.721239 0.345617 0.016058 Li\n0.297623 0.675364 0.968980 Li\n0.579778 0.095598 0.346050 Li\n0.901292 0.795093 0.369498 Li\n0.756811 0.515647 0.648359 Li\n0.932531 0.948091 0.968346 Fe\n0.510022 0.600918 0.762118 O\n0.869536 0.102039 0.240753 O\n0.160046 0.768459 0.232868 O\n0.830877 0.222242 0.761842 O\n0.127856 0.899701 0.758109 O\n0.537234 0.429248 0.276826 F\n",
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"elements": [
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},
{
"id": "mp-1978357",
"created_at": "2022-09-04T14:39:06.083563Z",
"structure_string": "Li14 Mn10 O24\n1.0\n5.383464 0.048995 -2.220427\n-2.811898 5.226585 0.920420\n5.417052 -0.524882 13.395748\nLi Mn O\n14 10 24\ndirect\n0.666820 0.333454 0.166620 Li\n0.168529 0.336556 0.666253 Li\n0.166450 0.833288 0.166690 Li\n0.667549 0.833789 0.666740 Li\n0.666710 0.833267 0.166680 Li\n0.166590 0.833656 0.666619 Li\n0.342392 0.179683 0.329037 Li\n0.837284 0.173048 0.833506 Li\n0.990929 0.486860 0.004219 Li\n0.496107 0.493453 0.499754 Li\n0.848244 0.698140 0.317618 Li\n0.324666 0.658426 0.837576 Li\n0.484835 0.968060 0.015956 Li\n0.008885 0.008326 0.495880 Li\n0.166737 0.333498 0.166618 Mn\n0.490933 0.986194 0.503062 Mn\n0.842296 0.680072 0.830348 Mn\n0.503853 0.499449 0.002294 Mn\n0.829243 0.166907 0.330938 Mn\n0.666784 0.333437 0.666738 Mn\n0.991250 0.987328 0.003569 Mn\n0.342082 0.679450 0.329730 Mn\n0.995977 0.496139 0.501842 Mn\n0.336953 0.170136 0.831451 Mn\n0.011727 0.044939 0.245686 O\n0.510511 0.048342 0.745272 O\n0.321704 0.621897 0.087567 O\n0.822561 0.618215 0.588105 O\n0.644104 0.826199 0.420576 O\n0.146287 0.829122 0.915323 O\n0.186874 0.837147 0.418099 O\n0.689057 0.840121 0.912825 O\n0.478072 0.500898 0.250878 O\n0.978216 0.502313 0.750326 O\n0.855277 0.165889 0.082433 O\n0.355129 0.164176 0.583065 O\n0.137145 0.328718 0.418673 O\n0.671422 0.375166 0.905527 O\n0.661525 0.290903 0.427807 O\n0.195825 0.337741 0.914655 O\n0.305566 0.154132 0.086724 O\n0.802799 0.150151 0.588695 O\n0.027688 0.512579 0.246583 O\n0.530448 0.516459 0.744705 O\n0.812473 0.650770 0.078660 O\n0.332846 0.687937 0.572160 O\n0.520661 0.015707 0.254565 O\n0.999988 0.977866 0.761358 O\n",
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"elements": [
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"formula_full": "Li14 Mn10 O24",
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{
"id": "mp-866110",
"created_at": "2022-09-04T14:39:06.091315Z",
"structure_string": "Ho2 Os1 Ru1\n1.0\n0.000000 3.394013 3.394013\n3.394013 0.000000 3.394013\n3.394013 3.394013 0.000000\nHo Os Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"density": 13.191145970983644,
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"formula_full": "Ho2 Os1 Ru1",
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{
"id": "mp-1206093",
"created_at": "2022-09-04T14:39:06.093471Z",
"structure_string": "Th2 Ni2 Ge4\n1.0\n2.133629 -8.313998 0.000000\n2.133629 8.313998 0.000000\n0.000000 0.000000 4.265893\nTh Ni Ge\n2 2 4\ndirect\n0.607865 0.392135 0.750000 Th\n0.392136 0.607865 0.250000 Th\n0.818285 0.181715 0.750000 Ni\n0.181715 0.818285 0.250000 Ni\n0.958576 0.041424 0.750000 Ge\n0.041424 0.958576 0.250000 Ge\n0.250694 0.749306 0.750000 Ge\n0.749306 0.250694 0.250000 Ge\n",
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{
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"structure_string": "Ta4 Al4 Cu4\n1.0\n-2.532639 -4.386722 0.000000\n-2.528231 4.384177 0.000000\n0.000000 0.000000 -7.920230\nTa Al Cu\n4 4 4\ndirect\n0.665663 0.331337 0.563987 Ta\n0.332461 0.664896 0.431859 Ta\n0.332461 0.664896 0.068141 Ta\n0.665663 0.331337 0.936013 Ta\n0.170005 0.339993 0.750000 Al\n0.169180 0.829040 0.750000 Al\n0.659866 0.829028 0.750000 Al\n0.830687 0.661420 0.250000 Al\n0.830133 0.172475 0.250000 Cu\n0.342322 0.172455 0.250000 Cu\n0.000780 0.001562 0.500048 Cu\n0.000780 0.001562 0.999952 Cu\n",
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{
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"structure_string": "Th2 Si4\n1.0\n-2.061647 2.061647 7.249629\n2.061647 -2.061647 7.249629\n2.061647 2.061647 -7.249629\nTh Si\n2 4\ndirect\n0.750000 0.250000 0.500000 Th\n0.000000 0.000000 0.000000 Th\n0.583076 0.583076 0.000000 Si\n0.333076 0.833076 0.500000 Si\n0.166924 0.666924 0.500000 Si\n0.416924 0.416924 0.000000 Si\n",
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{
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"structure_string": "Pr16 Mg4 Ni4\n1.0\n0.000000 7.098718 7.098718\n7.098718 0.000000 7.098718\n7.098718 7.098718 0.000000\nPr Mg Ni\n16 4 4\ndirect\n0.810567 0.189433 0.189433 Pr\n0.189433 0.810567 0.810567 Pr\n0.189433 0.810567 0.189433 Pr\n0.810567 0.189433 0.810567 Pr\n0.189433 0.189433 0.810567 Pr\n0.810567 0.810567 0.189433 Pr\n0.935574 0.564426 0.564426 Pr\n0.564426 0.935574 0.935574 Pr\n0.564426 0.935574 0.564426 Pr\n0.935574 0.564426 0.935574 Pr\n0.564426 0.564426 0.935574 Pr\n0.935574 0.935574 0.564426 Pr\n0.345520 0.345520 0.345520 Pr\n0.345520 0.345520 0.963439 Pr\n0.345520 0.963439 0.345520 Pr\n0.963439 0.345520 0.345520 Pr\n0.578934 0.578934 0.578934 Mg\n0.578934 0.578934 0.263198 Mg\n0.578934 0.263198 0.578934 Mg\n0.263198 0.578934 0.578934 Mg\n0.141764 0.141764 0.141764 Ni\n0.141764 0.141764 0.574708 Ni\n0.141764 0.574708 0.141764 Ni\n0.574708 0.141764 0.141764 Ni\n",
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{
"id": "mp-849709",
"created_at": "2022-09-04T14:39:06.109194Z",
"structure_string": "Li4 Ti3 V2 Cu3 O16\n1.0\n2.959434 5.122263 0.000000\n-2.959434 5.122263 0.000000\n0.000000 0.173945 9.734021\nLi Ti V Cu O\n4 3 2 3 16\ndirect\n0.673364 0.673364 0.093504 Li\n0.993014 0.993014 0.016210 Li\n0.996917 0.996917 0.506354 Li\n0.335384 0.335384 0.593816 Li\n0.345439 0.846052 0.777546 Ti\n0.846052 0.345439 0.777546 Ti\n0.181532 0.181532 0.262924 Ti\n0.661664 0.661664 0.500835 V\n0.361626 0.361626 0.013817 V\n0.828733 0.828733 0.791058 Cu\n0.172633 0.662158 0.296823 Cu\n0.662158 0.172633 0.296823 Cu\n0.350388 0.826697 0.413274 O\n0.517157 0.517157 0.665821 O\n0.661941 0.661941 0.890805 O\n0.995067 0.995067 0.697223 O\n0.000383 0.000383 0.210128 O\n0.826697 0.350388 0.413274 O\n0.496017 0.962727 0.652406 O\n0.962727 0.496017 0.652406 O\n0.159953 0.159953 0.895120 O\n0.817482 0.817482 0.429864 O\n0.036548 0.470869 0.149591 O\n0.470869 0.036548 0.149591 O\n0.329270 0.329270 0.388295 O\n0.181508 0.650855 0.911891 O\n0.483953 0.483953 0.133313 O\n0.650855 0.181508 0.911891 O\n",
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"formula_full": "Li4 Ti3 V2 Cu3 O16",
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{
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}