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{
"id": "mp-8257",
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"structure_string": "Na4 Zn2 S4\n1.0\n-2.988448 3.231341 5.592626\n2.988448 -3.231341 5.592626\n2.988448 3.231341 -5.592626\nNa Zn S\n4 2 4\ndirect\n0.491411 0.142383 0.349028 Na\n0.508589 0.857617 0.650972 Na\n0.206645 0.357617 0.849028 Na\n0.793355 0.642383 0.150972 Na\n0.000000 0.250000 0.250000 Zn\n0.000000 0.750000 0.750000 Zn\n0.324403 0.610906 0.713496 S\n0.675597 0.389094 0.286504 S\n0.102590 0.889094 0.213496 S\n0.897410 0.110906 0.786504 S\n",
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{
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"structure_string": "P12 C4 N8 Cl52\n1.0\n12.578070 0.000000 0.000000\n0.000000 10.886226 0.000000\n0.000000 2.281351 17.306085\nP C N Cl\n12 4 8 52\ndirect\n0.459690 0.721432 0.660150 P\n0.959690 0.278568 0.339850 P\n0.560382 0.353793 0.805463 P\n0.060382 0.646207 0.194537 P\n0.083799 0.142448 0.706551 P\n0.583799 0.857552 0.293449 P\n0.926832 0.787654 0.850523 P\n0.426832 0.212346 0.149477 P\n0.995698 0.196533 0.999876 P\n0.495698 0.803467 0.000124 P\n0.500146 0.266309 0.486092 P\n0.000146 0.733691 0.513908 P\n0.412822 0.508660 0.746824 C\n0.912822 0.491340 0.253176 C\n0.918372 0.991349 0.747599 C\n0.418372 0.008651 0.252401 C\n0.477873 0.596404 0.715918 N\n0.977873 0.403596 0.284082 N\n0.443310 0.402373 0.785967 N\n0.943310 0.597627 0.214033 N\n0.016491 0.032123 0.749207 N\n0.516491 0.967877 0.250793 N\n0.883170 0.886173 0.783835 N\n0.383170 0.113827 0.216165 N\n0.276009 0.526200 0.738066 Cl\n0.776009 0.473800 0.261934 Cl\n0.387316 0.701114 0.561726 Cl\n0.887316 0.298886 0.438274 Cl\n0.380484 0.851328 0.706425 Cl\n0.880484 0.148672 0.293575 Cl\n0.602730 0.789330 0.633822 Cl\n0.102730 0.210670 0.366178 Cl\n0.667353 0.383968 0.720838 Cl\n0.167353 0.616032 0.279162 Cl\n0.622465 0.421468 0.895722 Cl\n0.122465 0.578532 0.104278 Cl\n0.550845 0.172606 0.833354 Cl\n0.050845 0.827394 0.166646 Cl\n0.820214 0.077436 0.694357 Cl\n0.320214 0.922564 0.305643 Cl\n0.132774 0.108894 0.603478 Cl\n0.632774 0.891106 0.396522 Cl\n0.018271 0.310503 0.690974 Cl\n0.518271 0.689497 0.309026 Cl\n0.212704 0.157985 0.769171 Cl\n0.712704 0.842015 0.230829 Cl\n0.874764 0.622929 0.831960 Cl\n0.374764 0.377071 0.168040 Cl\n0.866924 0.824963 0.949941 Cl\n0.366924 0.175037 0.050059 Cl\n0.083132 0.767825 0.867179 Cl\n0.583132 0.232175 0.132821 Cl\n0.086423 0.350075 0.944873 Cl\n0.586423 0.649925 0.055127 Cl\n0.852633 0.089747 0.076688 Cl\n0.352633 0.910253 0.923312 Cl\n0.884416 0.207912 0.897302 Cl\n0.384416 0.792088 0.102698 Cl\n0.081770 0.201761 0.112442 Cl\n0.581770 0.798239 0.887558 Cl\n0.833153 0.350999 0.067164 Cl\n0.333153 0.649001 0.932836 Cl\n0.082551 0.049218 0.970001 Cl\n0.582551 0.950782 0.029999 Cl\n0.412801 0.298471 0.593564 Cl\n0.912801 0.701529 0.406436 Cl\n0.557590 0.263945 0.362764 Cl\n0.057590 0.736055 0.637236 Cl\n0.614916 0.147287 0.538846 Cl\n0.114916 0.852713 0.461154 Cl\n0.340940 0.460383 0.961205 Cl\n0.840940 0.539617 0.038795 Cl\n0.591180 0.441949 0.490312 Cl\n0.091180 0.558051 0.509688 Cl\n0.379318 0.118108 0.467530 Cl\n0.879318 0.881892 0.532470 Cl\n",
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"formula_full": "P12 C4 N8 Cl52",
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"spacegroup": 4
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{
"id": "mp-1074613",
"created_at": "2022-09-04T14:42:13.229259Z",
"structure_string": "Mg8 Si4\n1.0\n5.882940 0.000000 0.000000\n2.408225 5.477699 0.000000\n1.282039 2.234751 7.376695\nMg Si\n8 4\ndirect\n0.515777 0.004656 0.344588 Mg\n0.845126 0.606073 0.678008 Mg\n0.195946 0.074590 0.689414 Mg\n0.908163 0.869143 0.022664 Mg\n0.667105 0.155292 0.674178 Mg\n0.033299 0.953131 0.353441 Mg\n0.577256 0.507337 0.293896 Mg\n0.434728 0.447843 0.968777 Mg\n0.989531 0.333787 0.039870 Si\n0.082177 0.446893 0.316562 Si\n0.357549 0.631959 0.605147 Si\n0.392874 0.969767 0.013563 Si\n",
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"formula_full": "Mg8 Si4",
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{
"id": "mp-764514",
"created_at": "2022-09-04T14:42:13.247369Z",
"structure_string": "Li4 Fe8 B8 O24\n1.0\n5.249912 0.000000 0.000000\n0.075383 9.086995 0.000000\n0.008616 0.140005 10.203033\nLi Fe B O\n4 8 8 24\ndirect\n0.180142 0.166142 0.157182 Li\n0.320504 0.329774 0.416968 Li\n0.336485 0.327545 0.907990 Li\n0.660292 0.677288 0.655906 Li\n0.150227 0.848222 0.628954 Fe\n0.182865 0.506612 0.131988 Fe\n0.318910 0.991038 0.874119 Fe\n0.329901 0.673362 0.376676 Fe\n0.681931 0.332541 0.631090 Fe\n0.669315 0.993913 0.128514 Fe\n0.837726 0.146504 0.383951 Fe\n0.828476 0.507341 0.889267 Fe\n0.175886 0.504152 0.620150 B\n0.165296 0.837208 0.130506 B\n0.343285 0.999446 0.370672 B\n0.332569 0.662370 0.870896 B\n0.654201 0.000235 0.635357 B\n0.675868 0.323931 0.124413 B\n0.827418 0.496322 0.384071 B\n0.820369 0.166940 0.880532 B\n0.091198 0.499068 0.353758 O\n0.081708 0.158718 0.887039 O\n0.195096 0.793955 0.847339 O\n0.235536 0.874459 0.423826 O\n0.213340 0.132041 0.362697 O\n0.206923 0.537868 0.919133 O\n0.322553 0.377123 0.619582 O\n0.307511 0.959598 0.083208 O\n0.285030 0.637729 0.582913 O\n0.291625 0.715558 0.182303 O\n0.411415 0.323403 0.116179 O\n0.407218 0.007351 0.686792 O\n0.588828 0.991728 0.320770 O\n0.583552 0.657275 0.841552 O\n0.695192 0.292769 0.830571 O\n0.719775 0.361592 0.425787 O\n0.678640 0.618855 0.378534 O\n0.665840 0.053683 0.928597 O\n0.815247 0.443944 0.089479 O\n0.780633 0.871187 0.625705 O\n0.763168 0.131014 0.589373 O\n0.807114 0.193260 0.162944 O\n0.908906 0.844514 0.125437 O\n0.918710 0.498849 0.655765 O\n",
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"formula_full": "Li4 Fe8 B8 O24",
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{
"id": "mp-755281",
"created_at": "2022-09-04T14:42:13.250340Z",
"structure_string": "V4 Cr4 O12\n1.0\n5.097242 -0.002587 0.001240\n-2.548338 1.477164 4.644326\n2.553411 -7.387067 4.647791\nV Cr O\n4 4 12\ndirect\n0.149525 0.874741 0.572987 V\n0.351428 0.876571 0.173321 V\n0.348579 0.376571 0.677141 V\n0.850503 0.126248 0.426157 V\n0.150810 0.375796 0.076104 Cr\n0.651840 0.627516 0.323384 Cr\n0.649299 0.124997 0.827102 Cr\n0.848977 0.622174 0.924170 Cr\n0.051473 0.525988 0.724447 O\n0.052780 0.026334 0.223330 O\n0.446951 0.874067 0.374079 O\n0.553516 0.623957 0.124164 O\n0.249572 0.775036 0.973602 O\n0.252110 0.281407 0.471793 O\n0.750424 0.720292 0.525177 O\n0.753478 0.226056 0.025518 O\n0.447367 0.374397 0.877689 O\n0.551453 0.124797 0.627539 O\n0.945583 0.971893 0.775744 O\n0.944332 0.471163 0.276550 O\n",
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{
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"structure_string": "Mg6 P4\n1.0\n6.024428 0.000000 0.000000\n0.000000 6.024428 0.000000\n0.000000 0.000000 6.024428\nMg P\n6 4\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.750000 0.750000 0.750000 P\n0.250000 0.750000 0.250000 P\n0.250000 0.250000 0.750000 P\n0.750000 0.250000 0.250000 P\n",
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{
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"structure_string": "Bi48 Cl24 O60\n1.0\n3.860799 0.000000 0.000000\n0.000000 15.480873 0.000000\n0.000000 0.000000 41.306777\nBi Cl O\n48 24 60\ndirect\n0.750000 0.886077 0.841678 Bi\n0.250000 0.516231 0.268336 Bi\n0.750000 0.257687 0.596955 Bi\n0.750000 0.238303 0.407989 Bi\n0.250000 0.634483 0.175504 Bi\n0.750000 0.787544 0.746934 Bi\n0.250000 0.466506 0.911295 Bi\n0.250000 0.212456 0.253066 Bi\n0.250000 0.386077 0.658322 Bi\n0.250000 0.109792 0.649692 Bi\n0.750000 0.609792 0.850308 Bi\n0.250000 0.341853 0.338212 Bi\n0.250000 0.033494 0.411295 Bi\n0.750000 0.100997 0.992534 Bi\n0.750000 0.365517 0.824496 Bi\n0.750000 0.261697 0.907989 Bi\n0.750000 0.483769 0.731664 Bi\n0.750000 0.134483 0.324496 Bi\n0.750000 0.712456 0.246934 Bi\n0.750000 0.096222 0.490868 Bi\n0.750000 0.966506 0.588705 Bi\n0.750000 0.526375 0.578069 Bi\n0.250000 0.757687 0.903045 Bi\n0.250000 0.903778 0.509132 Bi\n0.750000 0.890208 0.350308 Bi\n0.750000 0.841853 0.161788 Bi\n0.250000 0.899003 0.007466 Bi\n0.250000 0.761697 0.592011 Bi\n0.750000 0.403778 0.990868 Bi\n0.250000 0.158147 0.838212 Bi\n0.250000 0.742313 0.403045 Bi\n0.250000 0.113923 0.158322 Bi\n0.250000 0.473625 0.421931 Bi\n0.750000 0.973625 0.078069 Bi\n0.250000 0.287544 0.753066 Bi\n0.750000 0.016231 0.231664 Bi\n0.250000 0.983769 0.768336 Bi\n0.250000 0.390208 0.149692 Bi\n0.750000 0.399003 0.492534 Bi\n0.250000 0.738303 0.092011 Bi\n0.250000 0.600997 0.507466 Bi\n0.250000 0.596222 0.009132 Bi\n0.750000 0.613923 0.341678 Bi\n0.750000 0.658147 0.661788 Bi\n0.750000 0.533494 0.088705 Bi\n0.750000 0.242313 0.096955 Bi\n0.250000 0.026375 0.921931 Bi\n0.250000 0.865517 0.675504 Bi\n0.250000 0.636356 0.724085 Cl\n0.750000 0.491022 0.197775 Cl\n0.750000 0.008978 0.697775 Cl\n0.750000 0.625366 0.446419 Cl\n0.250000 0.991022 0.302225 Cl\n0.250000 0.361671 0.054906 Cl\n0.250000 0.138329 0.554906 Cl\n0.750000 0.242449 0.194417 Cl\n0.250000 0.255428 0.470183 Cl\n0.750000 0.136356 0.775915 Cl\n0.250000 0.757551 0.805583 Cl\n0.750000 0.874634 0.946419 Cl\n0.750000 0.861671 0.445094 Cl\n0.250000 0.508978 0.802225 Cl\n0.250000 0.742449 0.305583 Cl\n0.250000 0.125366 0.053581 Cl\n0.250000 0.244572 0.970183 Cl\n0.750000 0.755428 0.029817 Cl\n0.750000 0.363644 0.275915 Cl\n0.750000 0.257551 0.694417 Cl\n0.750000 0.744572 0.529817 Cl\n0.250000 0.374634 0.553581 Cl\n0.750000 0.638329 0.945094 Cl\n0.250000 0.863644 0.224085 Cl\n0.250000 0.255970 0.626933 O\n0.750000 0.389960 0.624537 O\n0.250000 0.982770 0.626300 O\n0.250000 0.030266 0.979957 O\n0.250000 0.090751 0.223931 O\n0.250000 0.511919 0.320657 O\n0.250000 0.731168 0.648676 O\n0.750000 0.795258 0.690544 O\n0.750000 0.268832 0.351324 O\n0.250000 0.295258 0.809456 O\n0.750000 0.704742 0.190544 O\n0.250000 0.469734 0.479957 O\n0.250000 0.896291 0.564562 O\n0.250000 0.139741 0.889971 O\n0.750000 0.667312 0.109994 O\n0.750000 0.372860 0.122498 O\n0.750000 0.590751 0.276069 O\n0.750000 0.755970 0.873067 O\n0.250000 0.988081 0.820657 O\n0.750000 0.972055 0.521105 O\n0.250000 0.204742 0.309456 O\n0.750000 0.110040 0.124537 O\n0.250000 0.889960 0.875463 O\n0.250000 0.360259 0.389971 O\n0.250000 0.603709 0.064562 O\n0.750000 0.231168 0.851324 O\n0.250000 0.627140 0.877502 O\n0.750000 0.832688 0.609994 O\n0.250000 0.910020 0.061545 O\n0.250000 0.854611 0.732326 O\n0.750000 0.103709 0.435438 O\n0.750000 0.089980 0.938455 O\n0.750000 0.639741 0.610029 O\n0.250000 0.409249 0.723931 O\n0.750000 0.354611 0.767674 O\n0.250000 0.244030 0.126933 O\n0.750000 0.860259 0.110029 O\n0.750000 0.396291 0.935438 O\n0.250000 0.167312 0.390006 O\n0.250000 0.332688 0.890006 O\n0.750000 0.482770 0.873700 O\n0.250000 0.589980 0.561545 O\n0.750000 0.127140 0.622498 O\n0.750000 0.969734 0.020043 O\n0.750000 0.744030 0.373067 O\n0.750000 0.530266 0.520043 O\n0.250000 0.027945 0.478895 O\n0.750000 0.488081 0.679343 O\n0.250000 0.768832 0.148676 O\n0.250000 0.645389 0.232326 O\n0.750000 0.527945 0.021105 O\n0.250000 0.610040 0.375463 O\n0.750000 0.909249 0.776069 O\n0.750000 0.017230 0.373700 O\n0.250000 0.472055 0.978895 O\n0.750000 0.145389 0.267674 O\n0.750000 0.410020 0.438455 O\n0.250000 0.517230 0.126300 O\n0.250000 0.872860 0.377502 O\n0.750000 0.011919 0.179343 O\n",
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