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{
"id": "mp-651461",
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"structure_string": "Co16 C48 S6 O42\n1.0\n7.937543 4.617402 0.000000\n-7.937543 4.617402 0.000000\n0.000000 2.814342 25.274293\nCo C S O\n16 48 6 42\ndirect\n0.710921 0.912758 0.944196 Co\n0.743838 0.159988 0.988067 Co\n0.638248 0.563628 0.605557 Co\n0.054556 0.941825 0.501238 Co\n0.087060 0.295585 0.253514 Co\n0.912758 0.710921 0.444196 Co\n0.295585 0.087060 0.753514 Co\n0.563628 0.638248 0.105557 Co\n0.159988 0.743838 0.488067 Co\n0.941825 0.054556 0.001238 Co\n0.370105 0.745192 0.095124 Co\n0.392559 0.504371 0.261005 Co\n0.195913 0.606726 0.249958 Co\n0.745192 0.370105 0.595124 Co\n0.504371 0.392559 0.761005 Co\n0.606726 0.195913 0.749958 Co\n0.258314 0.628890 0.044589 C\n0.827683 0.324448 0.745911 C\n0.582898 0.000731 0.773066 C\n0.702303 0.944126 0.018145 C\n0.714208 0.723020 0.939078 C\n0.255784 0.895038 0.728309 C\n0.455544 0.240102 0.696485 C\n0.902068 0.312346 0.592732 C\n0.565837 0.280767 0.811496 C\n0.890611 0.989179 0.504194 C\n0.944126 0.702303 0.518145 C\n0.240102 0.455544 0.196485 C\n0.008133 0.219344 0.322019 C\n0.207187 0.115630 0.455605 C\n0.767670 0.263542 0.045781 C\n0.033843 0.830688 0.383702 C\n0.628890 0.258314 0.544589 C\n0.121871 0.540126 0.477470 C\n0.219344 0.008133 0.822019 C\n0.503545 0.835177 0.926721 C\n0.540126 0.121871 0.977470 C\n0.842757 0.602540 0.564753 C\n0.102907 0.120199 0.234322 C\n0.830688 0.033843 0.883702 C\n0.835177 0.503545 0.426721 C\n0.895038 0.255784 0.228309 C\n0.115630 0.207187 0.955605 C\n0.431477 0.358811 0.297157 C\n0.133985 0.006819 0.562287 C\n0.723020 0.714208 0.439078 C\n0.006819 0.133985 0.062287 C\n0.657903 0.759732 0.618234 C\n0.358811 0.431477 0.797157 C\n0.120199 0.102907 0.734322 C\n0.492239 0.491295 0.058658 C\n0.312346 0.902068 0.092732 C\n0.000731 0.582898 0.273066 C\n0.584436 0.690942 0.263717 C\n0.491295 0.492239 0.558658 C\n0.871709 0.333219 0.937569 C\n0.333219 0.871709 0.437569 C\n0.759732 0.657903 0.118234 C\n0.989179 0.890611 0.004194 C\n0.602540 0.842757 0.064753 C\n0.280767 0.565837 0.311496 C\n0.690942 0.584436 0.763717 C\n0.263542 0.767670 0.545781 C\n0.324448 0.827683 0.245911 C\n0.567986 0.166865 0.660193 S\n0.604769 0.876389 0.131670 S\n0.166865 0.567986 0.160193 S\n0.876389 0.604769 0.631670 S\n0.412498 0.436973 0.174536 S\n0.436973 0.412498 0.674536 S\n0.565121 0.871332 0.788790 O\n0.405602 0.094848 0.971150 O\n0.776892 0.329614 0.084004 O\n0.887930 0.677144 0.129769 O\n0.444331 0.952598 0.405987 O\n0.231572 0.306830 0.928444 O\n0.306830 0.231572 0.428444 O\n0.785534 0.024323 0.505762 O\n0.579975 0.274507 0.857527 O\n0.677144 0.887930 0.629769 O\n0.006783 0.276808 0.591735 O\n0.274507 0.579975 0.357527 O\n0.049205 0.185079 0.102662 O\n0.410454 0.972250 0.243678 O\n0.094848 0.405602 0.471150 O\n0.907459 0.110056 0.844400 O\n0.597605 0.711920 0.433642 O\n0.185079 0.049205 0.602662 O\n0.264669 0.458655 0.820577 O\n0.002633 0.101328 0.719657 O\n0.952598 0.444331 0.905987 O\n0.972250 0.410454 0.743678 O\n0.024323 0.785534 0.005762 O\n0.393605 0.445565 0.527689 O\n0.101328 0.002633 0.219657 O\n0.183411 0.554041 0.010942 O\n0.227211 0.770190 0.711525 O\n0.110056 0.907459 0.344400 O\n0.370812 0.786920 0.912838 O\n0.706346 0.816862 0.267687 O\n0.770190 0.227211 0.211525 O\n0.871332 0.565121 0.288790 O\n0.276808 0.006783 0.091735 O\n0.165919 0.956478 0.865377 O\n0.956478 0.165919 0.365377 O\n0.329614 0.776892 0.584004 O\n0.458655 0.264669 0.320577 O\n0.445565 0.393605 0.027689 O\n0.711920 0.597605 0.933642 O\n0.816862 0.706346 0.767687 O\n0.786920 0.370812 0.412838 O\n0.554041 0.183411 0.510942 O\n",
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"elements": [
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"formula_full": "Co16 C48 S6 O42",
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{
"id": "mp-756461",
"created_at": "2022-09-04T14:39:41.189887Z",
"structure_string": "Li10 Mn8 O16\n1.0\n5.807295 0.000082 -0.000019\n-2.903507 8.855301 -4.920594\n2.903673 2.896337 4.824338\nLi Mn O\n10 8 16\ndirect\n0.999989 0.249964 0.249981 Li\n0.000012 0.750036 0.750018 Li\n0.917435 0.406544 0.571675 Li\n0.917452 0.906582 0.071669 Li\n0.082564 0.593456 0.428325 Li\n0.082549 0.093418 0.928330 Li\n0.500002 0.249975 0.750005 Li\n0.499998 0.750025 0.249995 Li\n0.000031 0.750018 0.249990 Li\n0.999969 0.249982 0.750010 Li\n0.499986 0.499998 0.500020 Mn\n0.499973 0.749240 0.749312 Mn\n0.500036 0.250763 0.250688 Mn\n0.500002 0.999997 0.999994 Mn\n0.500003 0.000001 0.499994 Mn\n0.500004 0.500001 0.999996 Mn\n0.000000 0.000001 0.499994 Mn\n0.999997 0.500001 0.000003 Mn\n0.753306 0.117760 0.611052 O\n0.753350 0.617631 0.110914 O\n0.246694 0.882240 0.388948 O\n0.246651 0.382370 0.889086 O\n0.739047 0.876641 0.398416 O\n0.739042 0.376624 0.898478 O\n0.260953 0.123359 0.601584 O\n0.260960 0.623375 0.101522 O\n0.261150 0.883141 0.880057 O\n0.260883 0.383149 0.380252 O\n0.741887 0.883132 0.880069 O\n0.741996 0.383145 0.380239 O\n0.258114 0.116868 0.119930 O\n0.258001 0.616855 0.619763 O\n0.738847 0.116859 0.119942 O\n0.739117 0.616849 0.619749 O\n",
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"density": 3.8389745071752235,
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"volume": 330.85768968622193,
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"formula_full": "Li10 Mn8 O16",
"formula_reduced": "Li5Mn4O8",
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"spacegroup": 12
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{
"id": "mp-1292671",
"created_at": "2022-09-04T14:39:41.193261Z",
"structure_string": "Li6 Ti2 Mn8 O16\n1.0\n-3.531340 -4.327806 -2.540427\n-5.189702 4.929254 -7.823255\n5.304376 1.665141 -2.669849\nLi Ti Mn O\n6 2 8 16\ndirect\n0.999800 0.499179 0.999958 Li\n0.000046 0.001067 0.500192 Li\n0.999993 0.249990 0.749821 Li\n0.999980 0.749980 0.250109 Li\n0.521502 0.485101 0.506826 Li\n0.478360 0.014924 0.992905 Li\n0.500085 0.250030 0.750075 Ti\n0.499940 0.750005 0.249999 Ti\n0.500024 0.750013 0.750074 Mn\n0.500010 0.249967 0.249926 Mn\n0.006926 0.001414 0.000111 Mn\n0.992902 0.498673 0.499816 Mn\n0.000269 0.249964 0.250107 Mn\n0.000248 0.749886 0.750220 Mn\n0.501302 0.998062 0.506612 Mn\n0.498872 0.501826 0.993423 Mn\n0.243105 0.642653 0.101520 O\n0.274765 0.132936 0.636361 O\n0.725350 0.366963 0.863596 O\n0.756823 0.857341 0.398557 O\n0.781819 0.864186 0.863544 O\n0.735932 0.369873 0.362756 O\n0.264065 0.130046 0.137118 O\n0.218104 0.635859 0.636676 O\n0.268047 0.863739 0.360478 O\n0.268984 0.358934 0.878038 O\n0.714718 0.626532 0.588280 O\n0.734856 0.128302 0.094257 O\n0.265177 0.371754 0.405652 O\n0.285196 0.873502 0.911801 O\n0.731063 0.140983 0.621742 O\n0.731737 0.636313 0.139449 O\n",
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"elements": [
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],
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"density": 4.21130965595315,
"density_atomic": 0.09744024243303537,
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"formula_full": "Li6 Ti2 Mn8 O16",
"formula_reduced": "Li3TiMn4O8",
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{
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"created_at": "2022-09-04T14:39:41.196098Z",
"structure_string": "Li4 Fe2 B2 P2 O14\n1.0\n6.428321 0.000000 0.000000\n0.000000 5.128613 0.000000\n0.000000 0.545134 8.505970\nLi Fe B P O\n4 2 2 2 14\ndirect\n0.481672 0.772578 0.782729 Li\n0.018328 0.772578 0.782729 Li\n0.981672 0.227422 0.217271 Li\n0.518328 0.227422 0.217271 Li\n0.250000 0.219018 0.658425 Fe\n0.750000 0.780982 0.341575 Fe\n0.250000 0.267107 0.944731 B\n0.750000 0.732893 0.055269 B\n0.750000 0.267796 0.575131 P\n0.250000 0.732204 0.424869 P\n0.750000 0.710070 0.899503 O\n0.250000 0.028043 0.877429 O\n0.250000 0.473563 0.830508 O\n0.941737 0.181285 0.672689 O\n0.558263 0.181285 0.672689 O\n0.250000 0.853676 0.588179 O\n0.750000 0.571474 0.539575 O\n0.250000 0.428526 0.460425 O\n0.750000 0.146324 0.411821 O\n0.441737 0.818715 0.327311 O\n0.058263 0.818715 0.327311 O\n0.750000 0.526437 0.169492 O\n0.750000 0.971957 0.122571 O\n0.250000 0.289930 0.100497 O\n",
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{
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"structure_string": "Sr6 P8\n1.0\n0.000000 7.186648 8.735256\n2.935523 0.000000 8.735256\n2.935523 7.186648 0.000000\nSr P\n6 8\ndirect\n0.577089 0.086607 0.419432 Sr\n0.916872 0.419432 0.086607 Sr\n0.830568 0.333128 0.672911 Sr\n0.163393 0.672911 0.333128 Sr\n0.505815 0.994185 0.994185 Sr\n0.255815 0.744185 0.744185 Sr\n0.083834 0.418090 0.577624 P\n0.920452 0.577624 0.418090 P\n0.672376 0.329548 0.166166 P\n0.831910 0.166166 0.329548 P\n0.524259 0.821907 0.658955 P\n0.994880 0.658955 0.821907 P\n0.428093 0.725741 0.255120 P\n0.591045 0.255120 0.725741 P\n",
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"formula_full": "Sr6 P8",
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{
"id": "mp-29194",
"created_at": "2022-09-04T14:39:41.225171Z",
"structure_string": "Cs4 Au4 Se6\n1.0\n6.823760 5.004114 0.000000\n-6.823760 5.004114 0.000000\n0.000000 0.234091 7.613762\nCs Au Se\n4 4 6\ndirect\n0.865609 0.655786 0.632958 Cs\n0.655786 0.865609 0.132958 Cs\n0.134391 0.344214 0.367042 Cs\n0.344214 0.134391 0.867042 Cs\n0.353621 0.776636 0.541430 Au\n0.776636 0.353621 0.041430 Au\n0.646379 0.223364 0.458570 Au\n0.223364 0.646379 0.958570 Au\n0.949205 0.266797 0.824107 Se\n0.582785 0.417215 0.250000 Se\n0.417215 0.582785 0.750000 Se\n0.266797 0.949205 0.324107 Se\n0.733203 0.050795 0.675893 Se\n0.050795 0.733203 0.175893 Se\n",
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],
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"formula_full": "Cs4 Au4 Se6",
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{
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"created_at": "2022-09-04T14:39:41.227342Z",
"structure_string": "Li8 V4 O12 F4\n1.0\n7.146062 0.000000 0.000000\n-2.367132 6.746477 0.000000\n-2.247738 -3.390643 5.881576\nLi V O F\n8 4 12 4\ndirect\n0.252734 0.244669 0.255137 Li\n0.519586 0.249058 0.482527 Li\n0.237719 0.526498 0.476884 Li\n0.262724 0.754338 0.731207 Li\n0.765102 0.297268 0.710190 Li\n0.755291 0.995662 0.510601 Li\n0.459549 0.726072 0.008696 Li\n0.744791 0.496950 0.990524 Li\n0.973040 0.253001 0.019484 V\n0.720559 0.732643 0.274427 V\n0.972929 0.981363 0.755071 V\n0.290269 0.035592 0.970943 V\n0.476377 0.229638 0.999914 O\n0.766514 0.238239 0.237485 O\n0.527928 0.530172 0.245926 O\n0.011059 0.221357 0.540852 O\n0.999493 0.000873 0.219197 O\n0.533241 0.755860 0.474007 O\n0.233975 0.221098 0.780861 O\n0.005790 0.462487 0.784567 O\n0.773248 0.996690 0.008536 O\n0.483284 0.004091 0.764281 O\n0.759239 0.770494 0.770005 O\n0.002794 0.784001 0.984206 O\n0.234565 0.470574 0.010139 F\n0.245020 0.762166 0.216348 F\n0.754567 0.509596 0.467988 F\n0.245976 0.007580 0.524619 F\n",
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"elements": [
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"V",
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"formula_full": "Li8 V4 O12 F4",
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{
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