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{
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{
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"formula_full": "Li7 Mn2 Co3 O12",
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"spacegroup": 12
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{
"id": "mp-1112906",
"created_at": "2022-09-04T14:40:34.866553Z",
"structure_string": "Cs2 Hg1 Bi1 Cl6\n1.0\n0.000000 5.626595 5.626595\n5.626595 0.000000 5.626595\n5.626595 5.626595 0.000000\nCs Hg Bi Cl\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 Hg\n0.000000 0.000000 0.000000 Bi\n0.757705 0.242295 0.242295 Cl\n0.242295 0.242295 0.757705 Cl\n0.242295 0.757705 0.757705 Cl\n0.242295 0.757705 0.242295 Cl\n0.757705 0.242295 0.757705 Cl\n0.757705 0.757705 0.242295 Cl\n",
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{
"id": "mp-25243",
"created_at": "2022-09-04T14:40:38.091498Z",
"structure_string": "Li6 V4 Si4 O20\n1.0\n4.504263 -4.519452 0.000000\n4.504263 4.519452 0.000000\n0.000000 0.000000 9.138479\nLi V Si O\n6 4 4 20\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.258436 0.258436 0.797511 V\n0.241564 0.241564 0.297511 V\n0.741564 0.741564 0.202489 V\n0.758436 0.758436 0.702489 V\n0.749497 0.249497 0.250000 Si\n0.750503 0.250503 0.750000 Si\n0.250503 0.750503 0.750000 Si\n0.249497 0.749497 0.250000 Si\n0.751857 0.041564 0.143891 O\n0.741294 0.043016 0.643379 O\n0.541564 0.251857 0.356109 O\n0.230743 0.230743 0.116291 O\n0.269257 0.269257 0.616291 O\n0.543016 0.241294 0.856621 O\n0.958436 0.248143 0.856109 O\n0.956984 0.258706 0.356621 O\n0.758706 0.456984 0.143379 O\n0.748143 0.458436 0.643891 O\n0.241294 0.543016 0.856621 O\n0.251857 0.541564 0.356109 O\n0.041564 0.751857 0.143891 O\n0.456984 0.758706 0.143379 O\n0.769257 0.769257 0.883709 O\n0.730743 0.730743 0.383709 O\n0.043016 0.741294 0.643379 O\n0.458436 0.748143 0.643891 O\n0.248143 0.958436 0.856109 O\n0.258706 0.956984 0.356621 O\n",
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"formula_full": "Li6 V4 Si4 O20",
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{
"id": "mp-1104768",
"created_at": "2022-09-04T14:40:34.188384Z",
"structure_string": "Ir1 N7 Cl1 O6\n1.0\n-3.746374 3.746374 5.333298\n3.746374 -3.746374 5.333298\n3.746374 3.746374 -5.333298\nIr N Cl O\n1 7 1 6\ndirect\n0.830631 0.830631 0.000000 Ir\n0.668954 0.668954 0.000000 N\n0.702571 0.060196 0.010530 N\n0.049666 0.692041 0.989470 N\n0.692041 0.702571 0.642375 N\n0.060196 0.049666 0.357625 N\n0.615702 0.115702 0.500000 N\n0.115702 0.615702 0.500000 N\n0.077007 0.077007 0.000000 Cl\n0.733614 0.233614 0.500000 O\n0.233614 0.733614 0.500000 O\n0.633398 0.181874 0.699521 O\n0.482353 0.933877 0.300479 O\n0.933877 0.633398 0.451524 O\n0.181874 0.482353 0.548476 O\n",
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{
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"structure_string": "Ba10 B8 O20 F4\n1.0\n3.599502 10.516125 0.000000\n-3.599502 10.516125 0.000000\n0.000000 0.801114 8.696689\nBa B O F\n10 8 20 4\ndirect\n0.444981 0.555019 0.750000 Ba\n0.201786 0.968915 0.391864 Ba\n0.555019 0.444981 0.250000 Ba\n0.186426 0.412678 0.805468 Ba\n0.813574 0.587322 0.194532 Ba\n0.031085 0.798214 0.108136 Ba\n0.587322 0.813574 0.694532 Ba\n0.968915 0.201786 0.891864 Ba\n0.798214 0.031085 0.608136 Ba\n0.412678 0.186426 0.305468 Ba\n0.943696 0.680665 0.416613 B\n0.775677 0.412447 0.505580 B\n0.319335 0.056304 0.083387 B\n0.056304 0.319335 0.583387 B\n0.587553 0.224323 0.994420 B\n0.224323 0.587553 0.494420 B\n0.680665 0.943696 0.916613 B\n0.412447 0.775677 0.005580 B\n0.351421 0.948003 0.966316 O\n0.948003 0.351421 0.466316 O\n0.193141 0.723937 0.419386 O\n0.276063 0.806859 0.080614 O\n0.576684 0.048633 0.785381 O\n0.402875 0.404571 0.542041 O\n0.723937 0.193141 0.919386 O\n0.250579 0.188961 0.556589 O\n0.048633 0.576684 0.285381 O\n0.597125 0.595429 0.457959 O\n0.404571 0.402875 0.042041 O\n0.188961 0.250579 0.056589 O\n0.811039 0.749421 0.943411 O\n0.749421 0.811039 0.443411 O\n0.806859 0.276063 0.580614 O\n0.951367 0.423316 0.714619 O\n0.648579 0.051997 0.033684 O\n0.595429 0.597125 0.957959 O\n0.051997 0.648579 0.533684 O\n0.423316 0.951367 0.214619 O\n0.255411 0.904692 0.694517 F\n0.904692 0.255411 0.194517 F\n0.744589 0.095308 0.305483 F\n0.095308 0.744589 0.805483 F\n",
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{
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{
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{
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"structure_string": "Li4 Mn6 Sb2 O16\n1.0\n-2.924645 1.870580 4.846680\n6.268300 7.175949 5.225158\n-3.084000 5.339688 -0.001382\nLi Mn Sb O\n4 6 2 16\ndirect\n0.440719 0.697741 0.430779 Li\n0.940501 0.197860 0.930906 Li\n0.059294 0.802152 0.069243 Li\n0.559370 0.302268 0.569140 Li\n0.499416 0.999890 0.500416 Mn\n0.500158 0.000064 0.000044 Mn\n0.500249 0.499965 0.999919 Mn\n0.000355 0.499990 0.999806 Mn\n0.000173 0.500053 0.499896 Mn\n0.999808 0.000039 0.499614 Mn\n0.249966 0.249979 0.250191 Sb\n0.749993 0.749987 0.750106 Sb\n0.369900 0.906743 0.361495 O\n0.870458 0.406751 0.861343 O\n0.130089 0.593297 0.138312 O\n0.629483 0.093241 0.638562 O\n0.607028 0.134245 0.129528 O\n0.107171 0.634334 0.629386 O\n0.149916 0.123577 0.589658 O\n0.650430 0.623540 0.089447 O\n0.150246 0.123654 0.136461 O\n0.650612 0.623619 0.636261 O\n0.349823 0.376363 0.363597 O\n0.849787 0.876454 0.863415 O\n0.350004 0.376418 0.910509 O\n0.849360 0.876359 0.410553 O\n0.892954 0.365773 0.370530 O\n0.392737 0.865644 0.870883 O\n",
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]
}