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{
"id": "mp-1043183",
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{
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{
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"structure_string": "Fe10 O16 F4\n1.0\n4.661360 0.000000 0.000000\n0.227403 7.593402 0.000000\n0.553276 3.297025 9.227219\nFe O F\n10 16 4\ndirect\n0.500000 0.500000 0.500000 Fe\n0.526863 0.704634 0.912253 Fe\n0.524736 0.907727 0.308971 Fe\n0.475264 0.092273 0.691029 Fe\n0.473137 0.295366 0.087747 Fe\n0.011092 0.197924 0.405927 Fe\n0.003031 0.596709 0.203612 Fe\n0.000000 0.000000 0.000000 Fe\n0.996969 0.403291 0.796388 Fe\n0.988908 0.802076 0.594073 Fe\n0.188778 0.028514 0.579246 O\n0.177734 0.237679 0.968328 O\n0.185908 0.436335 0.373528 O\n0.311675 0.737679 0.479222 O\n0.304523 0.141097 0.273203 O\n0.300408 0.338017 0.675254 O\n0.309070 0.937836 0.881538 O\n0.307946 0.538800 0.078704 O\n0.699592 0.661983 0.324746 O\n0.690930 0.062164 0.118462 O\n0.692054 0.461200 0.921296 O\n0.695477 0.858903 0.726797 O\n0.688325 0.262321 0.520778 O\n0.822266 0.762321 0.031672 O\n0.811222 0.971486 0.420754 O\n0.814092 0.563665 0.626472 O\n0.204085 0.841590 0.183540 F\n0.199967 0.640609 0.781810 F\n0.800033 0.359391 0.218190 F\n0.795915 0.158410 0.816460 F\n",
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"formula_full": "Fe10 O16 F4",
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"spacegroup": 2
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{
"id": "mp-24822",
"created_at": "2022-09-04T14:46:30.064420Z",
"structure_string": "Na10 Al6 H28\n1.0\n6.761324 0.000000 0.000000\n0.000000 6.761324 0.000000\n0.000000 0.000000 10.312348\nNa Al H\n10 6 28\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.285042 0.785042 0.250000 Na\n0.214958 0.285042 0.250000 Na\n0.785042 0.714958 0.250000 Na\n0.714958 0.214958 0.250000 Na\n0.285042 0.785042 0.750000 Na\n0.214958 0.285042 0.750000 Na\n0.785042 0.714958 0.750000 Na\n0.714958 0.214958 0.750000 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.542010 0.820633 0.117732 H\n0.457990 0.179367 0.117732 H\n0.320633 0.042010 0.382268 H\n0.820633 0.457990 0.117732 H\n0.179367 0.542010 0.117732 H\n0.957990 0.320633 0.382268 H\n0.042010 0.679367 0.382268 H\n0.679367 0.957990 0.382268 H\n0.457990 0.179367 0.882268 H\n0.542010 0.820633 0.882268 H\n0.679367 0.957990 0.617732 H\n0.179367 0.542010 0.882268 H\n0.820633 0.457990 0.882268 H\n0.042010 0.679367 0.617732 H\n0.957990 0.320633 0.617732 H\n0.320633 0.042010 0.617732 H\n0.000000 0.000000 0.169810 H\n0.500000 0.500000 0.330190 H\n0.000000 0.000000 0.830190 H\n0.500000 0.500000 0.669810 H\n0.752265 0.073034 0.000000 H\n0.926966 0.752265 0.000000 H\n0.073034 0.247735 0.000000 H\n0.252265 0.426966 0.500000 H\n0.747735 0.573034 0.500000 H\n0.247735 0.926966 0.000000 H\n0.573034 0.252265 0.500000 H\n0.426966 0.747735 0.500000 H\n",
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"formula_full": "Na10 Al6 H28",
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{
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"created_at": "2022-09-04T14:46:30.076347Z",
"structure_string": "Li2 Ti1 Cu1 O4\n1.0\n-1.992211 1.992211 4.684180\n1.992211 -1.992211 4.684180\n1.992211 1.992211 -4.684180\nLi Ti Cu O\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.500000 Ti\n0.000000 0.000000 0.000000 Cu\n0.963769 0.463769 0.500000 O\n0.747123 0.747123 0.000000 O\n0.536231 0.036231 0.500000 O\n0.252877 0.252877 0.000000 O\n",
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{
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{
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{
"id": "mp-1181338",
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"structure_string": "Fe2 Pb4 Cl6 O10\n1.0\n6.109374 0.000000 0.000000\n0.000000 6.930366 0.000000\n0.000000 3.098591 9.350961\nFe Pb Cl O\n2 4 6 10\ndirect\n0.995888 0.503373 0.500219 Fe\n0.495888 0.496627 0.499781 Fe\n0.742248 0.893790 0.269997 Pb\n0.242248 0.106210 0.730003 Pb\n0.750613 0.418314 0.221064 Pb\n0.250613 0.581686 0.778936 Pb\n0.707981 0.888976 0.020214 Cl\n0.207981 0.111024 0.979786 Cl\n0.678707 0.421407 0.969694 Cl\n0.178707 0.578593 0.030306 Cl\n0.918124 0.891488 0.691540 Cl\n0.418124 0.108512 0.308460 Cl\n0.011018 0.391407 0.704030 O\n0.511018 0.608593 0.295970 O\n0.977938 0.623793 0.295683 O\n0.477938 0.376207 0.704317 O\n0.240138 0.317450 0.492795 O\n0.740138 0.682550 0.507205 O\n0.747377 0.333950 0.488267 O\n0.247377 0.666050 0.511733 O\n0.437768 0.854404 0.726562 O\n0.937768 0.145596 0.273438 O\n",
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{
"id": "mp-510508",
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"structure_string": "Ba4 Ir6 O18\n1.0\n-4.783652 4.783652 4.783652\n4.783652 -4.783652 4.783652\n4.783652 4.783652 -4.783652\nBa Ir O\n4 6 18\ndirect\n0.000000 0.000000 0.379823 Ba\n0.000000 0.379823 0.000000 Ba\n0.620177 0.620177 0.620177 Ba\n0.379823 0.000000 0.000000 Ba\n0.343863 0.500000 0.843863 Ir\n0.843863 0.343863 0.500000 Ir\n0.500000 0.156137 0.656137 Ir\n0.156137 0.656137 0.500000 Ir\n0.500000 0.843863 0.343863 Ir\n0.656137 0.500000 0.156137 Ir\n0.358870 0.000000 0.358870 O\n0.358870 0.358870 0.000000 O\n0.000000 0.641130 0.641130 O\n0.641130 0.641130 0.000000 O\n0.000000 0.358870 0.358870 O\n0.641130 0.000000 0.641130 O\n0.359489 0.309748 0.637990 O\n0.049740 0.328242 0.690252 O\n0.721498 0.362010 0.671758 O\n0.362010 0.671758 0.721498 O\n0.278502 0.950260 0.640511 O\n0.637990 0.359489 0.309748 O\n0.309748 0.637990 0.359489 O\n0.690252 0.049740 0.328242 O\n0.950260 0.640511 0.278502 O\n0.671758 0.721498 0.362010 O\n0.640511 0.278502 0.950260 O\n0.328242 0.690252 0.049740 O\n",
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