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"structure_string": "Ca13 Si10 O34 F10\n1.0\n9.402788 0.000000 0.000000\n4.689418 8.151736 0.000000\n4.527384 2.624616 12.850901\nCa Si O F\n13 10 34 10\ndirect\n0.000000 0.000000 0.000000 Ca\n0.271740 0.553244 0.037424 Ca\n0.137794 0.272006 0.036976 Ca\n0.553511 0.136758 0.038361 Ca\n0.728260 0.446756 0.962576 Ca\n0.862206 0.727994 0.963024 Ca\n0.446489 0.863242 0.961639 Ca\n0.010368 0.449062 0.278026 Ca\n0.266288 0.012822 0.278621 Ca\n0.448768 0.270701 0.276045 Ca\n0.989632 0.550938 0.721974 Ca\n0.733712 0.987178 0.721379 Ca\n0.551232 0.729299 0.723955 Ca\n0.891829 0.892996 0.335303 Si\n0.108171 0.107004 0.664697 Si\n0.714586 0.844415 0.212600 Si\n0.233562 0.716899 0.209820 Si\n0.843108 0.234016 0.210904 Si\n0.285414 0.155585 0.787400 Si\n0.766438 0.283101 0.790180 Si\n0.156892 0.765984 0.789096 Si\n0.604061 0.605059 0.190090 Si\n0.395939 0.394941 0.809910 Si\n0.869573 0.852728 0.458717 O\n0.130427 0.147272 0.541283 O\n0.849600 0.778517 0.289278 O\n0.089392 0.858313 0.281182 O\n0.775927 0.090285 0.283092 O\n0.150400 0.221483 0.710722 O\n0.910608 0.141687 0.718818 O\n0.224073 0.909715 0.716908 O\n0.702230 0.663393 0.237293 O\n0.402153 0.702259 0.236764 O\n0.662711 0.402978 0.236095 O\n0.297770 0.336607 0.762707 O\n0.597847 0.297741 0.763236 O\n0.337289 0.597022 0.763905 O\n0.225937 0.539146 0.240670 O\n0.996586 0.228553 0.243136 O\n0.535146 0.998323 0.242002 O\n0.774063 0.460854 0.759330 O\n0.003414 0.771447 0.756864 O\n0.464854 0.001677 0.757998 O\n0.644736 0.646515 0.064618 O\n0.355264 0.353485 0.935382 O\n0.795668 0.894256 0.090510 O\n0.224491 0.795190 0.087185 O\n0.895126 0.224397 0.088113 O\n0.204332 0.105744 0.909490 O\n0.775509 0.204810 0.912815 O\n0.104874 0.775603 0.911887 O\n0.732526 0.438440 0.466409 O\n0.366362 0.736296 0.465918 O\n0.433791 0.358656 0.463180 O\n0.267474 0.561560 0.533591 O\n0.633638 0.263704 0.534082 O\n0.566209 0.641344 0.536820 O\n0.016904 0.534035 0.089846 F\n0.359341 0.017589 0.089116 F\n0.534198 0.360962 0.089386 F\n0.983096 0.465965 0.910154 F\n0.640659 0.982411 0.910884 F\n0.465802 0.639038 0.910614 F\n0.285827 0.285957 0.144558 F\n0.714173 0.714043 0.855442 F\n0.222734 0.223569 0.343879 F\n0.777266 0.776431 0.656121 F\n",
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"elements": [
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],
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"density": 2.589122863037135,
"density_atomic": 0.06801966271886396,
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"formula_full": "Ca13 Si10 O34 F10",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.441000Z",
"spacegroup": 2
},
{
"id": "mp-616616",
"created_at": "2022-09-04T14:46:00.559497Z",
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0.493236 O\n0.668882 0.461831 0.299385 O\n0.672247 0.327753 0.500000 O\n0.521040 0.886233 0.506764 O\n0.290808 0.904939 0.505548 O\n0.309414 0.787992 0.763944 O\n0.007824 0.384822 0.498091 O\n0.906623 0.288498 0.997498 O\n0.558005 0.441995 0.000000 O\n0.669166 0.330834 0.000000 O\n0.220521 0.575037 0.502985 O\n0.594298 0.107391 0.242554 O\n0.478960 0.113767 0.506764 O\n0.538169 0.331118 0.700615 O\n0.093377 0.711502 0.997498 O\n0.461831 0.668882 0.700615 O\n0.779479 0.424963 0.502985 O\n0.808352 0.191648 0.000000 O\n0.776573 0.557908 0.728998 O\n0.775997 0.428977 0.998365 O\n0.405702 0.892609 0.242554 O\n0.078160 0.186421 0.154565 O\n0.099263 0.987126 0.165923 O\n0.349021 0.122961 0.742586 O\n0.441995 0.558005 0.000000 O\n0.904939 0.290808 0.494452 O\n0.575037 0.220521 0.497015 O\n0.223427 0.442092 0.728998 O\n0.711502 0.093377 0.002502 O\n0.557908 0.776573 0.271002 O\n0.115371 0.476820 0.998894 O\n0.690586 0.212008 0.763944 O\n0.265113 0.360274 0.153132 O\n0.615178 0.992176 0.501909 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O\n0.212008 0.690586 0.236056 O\n0.639726 0.734887 0.846868 O\n0.360274 0.265113 0.846868 O\n0.886233 0.521040 0.493236 O\n",
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"elements": [
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],
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"formula_full": "Sr30 Fe20 Bi20 O92",
"formula_reduced": "Sr15Fe10(Bi5O23)2",
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"updated_at": "2021-11-28T01:37:14.390000Z",
"spacegroup": 21
}
]
}