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{
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"structure_string": "Ce2 Ni24 B12\n1.0\n3.684114 -4.784501 0.000000\n3.684114 4.784501 0.000000\n0.000000 0.000000 10.983642\nCe Ni B\n2 24 12\ndirect\n0.831957 0.831957 0.497041 Ce\n0.168043 0.168043 0.997041 Ce\n0.145885 0.879571 0.755268 Ni\n0.120429 0.854115 0.255268 Ni\n0.342283 0.730564 0.067859 Ni\n0.657717 0.269436 0.567859 Ni\n0.269436 0.657717 0.567859 Ni\n0.879571 0.145885 0.755268 Ni\n0.630212 0.994743 0.937165 Ni\n0.369788 0.005257 0.437165 Ni\n0.005257 0.369788 0.437165 Ni\n0.994743 0.630212 0.937165 Ni\n0.528269 0.788696 0.276631 Ni\n0.471731 0.211304 0.776631 Ni\n0.211304 0.471731 0.776631 Ni\n0.788696 0.528269 0.276631 Ni\n0.196209 0.457831 0.233927 Ni\n0.803791 0.542169 0.733927 Ni\n0.542169 0.803791 0.733927 Ni\n0.457831 0.196209 0.233927 Ni\n0.218817 0.218817 0.597864 Ni\n0.781183 0.781183 0.097864 Ni\n0.436089 0.436089 0.418724 Ni\n0.563911 0.563911 0.918724 Ni\n0.730564 0.342283 0.067859 Ni\n0.854115 0.120429 0.255268 Ni\n0.013343 0.600978 0.122516 B\n0.986657 0.399022 0.622516 B\n0.244874 0.675330 0.385654 B\n0.755126 0.324670 0.885654 B\n0.324670 0.755126 0.885654 B\n0.675330 0.244874 0.385654 B\n0.487156 0.487156 0.655541 B\n0.512844 0.512844 0.155541 B\n0.836638 0.836638 0.835794 B\n0.163362 0.163362 0.335794 B\n0.399022 0.986657 0.622516 B\n0.600978 0.013343 0.122516 B\n",
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{
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{
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{
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"structure_string": "Li28 V4 O16 F8\n1.0\n5.531279 0.086607 -0.086040\n2.705916 2.576379 9.179154\n-0.125408 -10.431632 -0.075177\nLi V O F\n28 4 16 8\ndirect\n0.042230 0.265073 0.937327 Li\n0.542179 0.265465 0.437532 Li\n0.292299 0.765130 0.187164 Li\n0.792001 0.765135 0.687342 Li\n0.245559 0.125433 0.729160 Li\n0.745699 0.125292 0.229368 Li\n0.495679 0.625308 0.978864 Li\n0.995551 0.625666 0.479195 Li\n0.144276 0.461781 0.905177 Li\n0.644187 0.462422 0.405463 Li\n0.394146 0.962159 0.155343 Li\n0.894080 0.962187 0.655285 Li\n0.363003 0.311652 0.652183 Li\n0.863180 0.311245 0.151833 Li\n0.612639 0.811488 0.901640 Li\n0.113305 0.811458 0.401598 Li\n0.620845 0.062642 0.845128 Li\n0.120875 0.062756 0.345262 Li\n0.870886 0.562400 0.095029 Li\n0.370340 0.562998 0.595252 Li\n0.446881 0.249947 0.071685 Li\n0.947276 0.250744 0.571854 Li\n0.696719 0.750298 0.321585 Li\n0.196538 0.750162 0.821532 Li\n0.702861 0.268530 0.809785 Li\n0.202601 0.268510 0.309857 Li\n0.952579 0.768329 0.059588 Li\n0.452190 0.768717 0.559919 Li\n0.508661 0.013150 0.493420 V\n0.758425 0.513222 0.743570 V\n0.008853 0.013008 0.993592 V\n0.258773 0.512813 0.243412 V\n0.012812 0.321115 0.764407 O\n0.512988 0.321264 0.264497 O\n0.262902 0.821224 0.014322 O\n0.762653 0.821408 0.514293 O\n0.146030 0.398677 0.073618 O\n0.645932 0.399348 0.573930 O\n0.396015 0.898995 0.323401 O\n0.895926 0.898952 0.823547 O\n0.583513 0.122251 0.679009 O\n0.083615 0.122162 0.179075 O\n0.833661 0.621649 0.928396 O\n0.333614 0.622232 0.428909 O\n0.766798 0.196403 0.973297 O\n0.266880 0.196652 0.473289 O\n0.016773 0.696293 0.223049 O\n0.516473 0.696570 0.723206 O\n0.288312 0.078048 0.900478 F\n0.788289 0.078334 0.400613 F\n0.538297 0.577923 0.150215 F\n0.038159 0.578257 0.650379 F\n0.461941 0.460825 0.838253 F\n0.962382 0.461111 0.338335 F\n0.712268 0.961097 0.088192 F\n0.212008 0.961296 0.587986 F\n",
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"formula_full": "Li28 V4 O16 F8",
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{
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"created_at": "2022-09-04T14:39:11.641268Z",
"structure_string": "Mg3 Ti3\n1.0\n1.497680 -7.970059 0.000000\n1.497680 7.970059 0.000000\n0.000000 0.000000 4.884232\nMg Ti\n3 3\ndirect\n0.336423 0.663577 0.000000 Mg\n0.109805 0.890195 0.500000 Mg\n0.776155 0.223845 0.500000 Mg\n0.005018 0.994982 0.000000 Ti\n0.652782 0.347218 0.000000 Ti\n0.453150 0.546850 0.500000 Ti\n",
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{
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"structure_string": "Cs2 In1 Ga1 F6\n1.0\n0.000000 4.682103 4.682103\n4.682103 0.000000 4.682103\n4.682103 4.682103 0.000000\nCs In Ga F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n0.726893 0.273107 0.273107 F\n0.273107 0.273107 0.726893 F\n0.273107 0.726893 0.726893 F\n0.273107 0.726893 0.273107 F\n0.726893 0.273107 0.726893 F\n0.726893 0.726893 0.273107 F\n",
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{
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{
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{
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"structure_string": "Eu12 Be4 O20\n1.0\n6.576338 0.000000 0.000000\n0.000000 7.201756 0.000000\n0.000000 0.000000 9.524019\nEu Be O\n12 4 20\ndirect\n0.410597 0.750000 0.978470 Eu\n0.918225 0.520496 0.826399 Eu\n0.418225 0.020496 0.673601 Eu\n0.581775 0.979504 0.326399 Eu\n0.081775 0.479504 0.173601 Eu\n0.418225 0.479504 0.673601 Eu\n0.089403 0.750000 0.478470 Eu\n0.918225 0.979504 0.826399 Eu\n0.589403 0.250000 0.021530 Eu\n0.581775 0.520496 0.326399 Eu\n0.910597 0.250000 0.521530 Eu\n0.081775 0.020496 0.173601 Eu\n0.193292 0.250000 0.898286 Be\n0.806708 0.750000 0.101714 Be\n0.306708 0.250000 0.398286 Be\n0.693292 0.750000 0.601714 Be\n0.136462 0.250000 0.724919 O\n0.307584 0.443360 0.929334 O\n0.836685 0.250000 0.277823 O\n0.663315 0.250000 0.777823 O\n0.692416 0.943360 0.070666 O\n0.307584 0.056640 0.929334 O\n0.363538 0.250000 0.224919 O\n0.481692 0.750000 0.510255 O\n0.863538 0.750000 0.275081 O\n0.336685 0.750000 0.222177 O\n0.018308 0.750000 0.010255 O\n0.807584 0.556640 0.570666 O\n0.518308 0.250000 0.489745 O\n0.163315 0.750000 0.722177 O\n0.692416 0.556640 0.070666 O\n0.192416 0.443360 0.429334 O\n0.807584 0.943360 0.570666 O\n0.636462 0.750000 0.775081 O\n0.981692 0.250000 0.989745 O\n0.192416 0.056640 0.429334 O\n",
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{
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],
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{
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"structure_string": "Li1 Mn1 Sb2\n1.0\n3.139943 0.000000 0.000000\n0.000000 3.139943 0.000000\n0.000000 0.000000 10.693308\nLi Mn Sb\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.247461 Sb\n0.500000 0.500000 0.752539 Sb\n",
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"elements": [
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],
"chemical_system": "Li-Mn-Sb",
"density": 4.810178219356768,
"density_atomic": 0.03794061677915618,
"volume": 105.42791181501089,
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"formula_full": "Li1 Mn1 Sb2",
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"updated_at": "2021-11-28T01:34:31.682000Z",
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}
]
}