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{
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{
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{
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{
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"structure_string": "Li2 Mn6 O4 F12\n1.0\n5.202343 0.000000 0.000000\n-0.044687 6.986137 0.000000\n-0.125837 -1.405436 7.512060\nLi Mn O F\n2 6 4 12\ndirect\n0.780487 0.168177 0.842020 Li\n0.219513 0.831823 0.157980 Li\n0.718782 0.665613 0.821394 Mn\n0.245780 0.828947 0.670115 Mn\n0.735878 0.685993 0.317992 Mn\n0.264122 0.314007 0.682008 Mn\n0.754220 0.171053 0.329885 Mn\n0.281218 0.334387 0.178606 Mn\n0.408625 0.577863 0.695772 O\n0.892686 0.924852 0.308879 O\n0.107314 0.075148 0.691121 O\n0.591375 0.422137 0.304228 O\n0.579958 0.924786 0.817259 F\n0.043446 0.797806 0.906507 F\n0.903278 0.688983 0.564109 F\n0.910204 0.425397 0.803234 F\n0.430247 0.311403 0.920982 F\n0.409118 0.811055 0.433768 F\n0.590882 0.188945 0.566232 F\n0.569753 0.688597 0.079018 F\n0.089796 0.574603 0.196766 F\n0.096722 0.311017 0.435891 F\n0.956554 0.202194 0.093493 F\n0.420042 0.075214 0.182741 F\n",
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{
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"structure_string": "Ti15 V1 O24\n1.0\n2.554320 1.472674 4.687688\n7.668473 -1.471697 -4.691022\n2.557923 7.378321 -4.694408\nTi V O\n15 1 24\ndirect\n0.690928 0.076605 0.077244 Ti\n0.308579 0.172359 0.172905 Ti\n0.192351 0.076750 0.578135 Ti\n0.307290 0.422514 0.423737 Ti\n0.690929 0.327450 0.327110 Ti\n0.809588 0.173023 0.673206 Ti\n0.192424 0.328117 0.827322 Ti\n0.189961 0.576371 0.076214 Ti\n0.809335 0.672903 0.172962 Ti\n0.191087 0.825910 0.327791 Ti\n0.693536 0.577459 0.575789 Ti\n0.807856 0.422961 0.923148 Ti\n0.808171 0.924288 0.422036 Ti\n0.308902 0.922798 0.923950 Ti\n0.690592 0.827417 0.825835 Ti\n0.309577 0.672499 0.672200 V\n0.157281 0.030806 0.376134 O\n0.999156 0.218575 0.030550 O\n0.999606 0.281851 0.469026 O\n0.156998 0.125191 0.781929 O\n0.655970 0.125499 0.280658 O\n0.656138 0.030428 0.875423 O\n0.342782 0.375097 0.219121 O\n0.499844 0.219298 0.530697 O\n0.156235 0.624707 0.281384 O\n0.499686 0.280264 0.969375 O\n0.344114 0.465021 0.625051 O\n0.843156 0.469074 0.124757 O\n0.155962 0.525913 0.882341 O\n0.654261 0.530959 0.374936 O\n0.990661 0.718967 0.525862 O\n0.499098 0.718346 0.030512 O\n0.843696 0.375994 0.718932 O\n0.662210 0.624925 0.781688 O\n0.502974 0.782457 0.465248 O\n0.999465 0.781439 0.968538 O\n0.343196 0.968098 0.125990 O\n0.347025 0.882223 0.718421 O\n0.844857 0.875791 0.219055 O\n0.844523 0.969649 0.624788 O\n",
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{
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{
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"elements": [
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},
{
"id": "mp-1177998",
"created_at": "2022-09-04T14:44:09.668441Z",
"structure_string": "Li8 Fe4 Si4 O16\n1.0\n10.805598 0.000000 0.000000\n0.000000 5.405464 0.000000\n0.000000 0.134327 6.287880\nLi Fe Si O\n8 4 4 16\ndirect\n0.666364 0.916197 0.734200 Li\n0.166364 0.083803 0.265800 Li\n0.662943 0.047442 0.241762 Li\n0.835223 0.430616 0.236741 Li\n0.333508 0.576405 0.233319 Li\n0.833508 0.423595 0.766681 Li\n0.335223 0.569384 0.763259 Li\n0.162943 0.952558 0.758238 Li\n0.418819 0.083233 0.998090 Fe\n0.918819 0.916767 0.001910 Fe\n0.582435 0.426948 0.508400 Fe\n0.082435 0.573052 0.491600 Fe\n0.917089 0.070157 0.499992 Si\n0.417089 0.929843 0.500008 Si\n0.583957 0.570485 0.007133 Si\n0.083957 0.429515 0.992867 Si\n0.339969 0.995938 0.718484 O\n0.839053 0.998338 0.718327 O\n0.057833 0.951135 0.494611 O\n0.557833 0.048865 0.505389 O\n0.424106 0.622956 0.498890 O\n0.924106 0.377044 0.501110 O\n0.339053 0.001662 0.281673 O\n0.839969 0.004062 0.281516 O\n0.657645 0.442106 0.210844 O\n0.161271 0.482662 0.214914 O\n0.579295 0.876543 0.017882 O\n0.940262 0.537414 0.001743 O\n0.440262 0.462586 0.998257 O\n0.079295 0.123457 0.982118 O\n0.661271 0.517338 0.785086 O\n0.157645 0.557894 0.789156 O\n",
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],
"chemical_system": "Fe-Li-O-Si",
"density": 2.9263662835536874,
"density_atomic": 0.08712924437210535,
"volume": 367.2704868567055,
"volume_molar": 6.911733027640032,
"formula_full": "Li8 Fe4 Si4 O16",
"formula_reduced": "Li2FeSiO4",
"formula_anonymous": "ABC2D4",
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"updated_at": "2021-11-28T01:36:25.904000Z",
"spacegroup": 4
},
{
"id": "mp-556797",
"created_at": "2022-09-04T14:44:02.038362Z",
"structure_string": "K4 Si6 Sn2 O18\n1.0\n5.824399 -5.164155 0.000000\n5.824399 5.164155 0.000000\n1.245645 0.000000 7.683781\nK Si Sn O\n4 6 2 18\ndirect\n0.010179 0.226661 0.771825 K\n0.501663 0.501663 0.501663 K\n0.771825 0.010179 0.226661 K\n0.226661 0.771825 0.010179 K\n0.451157 0.982141 0.555130 Si\n0.555130 0.451157 0.982141 Si\n0.487493 0.104589 0.898697 Si\n0.104589 0.898697 0.487493 Si\n0.982141 0.555130 0.451157 Si\n0.898697 0.487493 0.104589 Si\n0.254394 0.254394 0.254394 Sn\n0.773512 0.773512 0.773512 Sn\n0.899798 0.677381 0.991463 O\n0.557055 0.643483 0.875435 O\n0.081649 0.364970 0.078117 O\n0.151041 0.410077 0.451482 O\n0.517375 0.313232 0.847055 O\n0.875435 0.557055 0.643483 O\n0.991463 0.899798 0.677381 O\n0.078117 0.081649 0.364970 O\n0.364970 0.078117 0.081649 O\n0.677381 0.991463 0.899798 O\n0.748899 0.376851 0.047893 O\n0.410077 0.451482 0.151041 O\n0.643483 0.875435 0.557055 O\n0.047893 0.748899 0.376851 O\n0.451482 0.151041 0.410077 O\n0.313232 0.847055 0.517375 O\n0.847055 0.517375 0.313232 O\n0.376851 0.047893 0.748899 O\n",
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],
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"volume": 462.2270545723845,
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"formula_full": "K4 Si6 Sn2 O18",
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}
]
}