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{
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{
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{
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{
"id": "mp-1110713",
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"structure_string": "Rb2 Li1 Bi1 Br6\n1.0\n0.000000 5.617950 5.617950\n5.617950 0.000000 5.617950\n5.617950 5.617950 0.000000\nRb Li Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.744881 0.255119 0.255119 Br\n0.255119 0.255119 0.744881 Br\n0.255119 0.744881 0.744881 Br\n0.255119 0.744881 0.255119 Br\n0.744881 0.255119 0.744881 Br\n0.744881 0.744881 0.255119 Br\n",
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{
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"structure_string": "La4 Ta8 N4 O20\n1.0\n11.316426 0.000000 0.000000\n0.000000 5.533268 0.000000\n0.000000 0.015813 7.729749\nLa Ta N O\n4 8 4 20\ndirect\n0.035925 0.797353 0.500297 La\n0.455923 0.295587 0.998371 La\n0.535925 0.202647 0.499703 La\n0.955923 0.704413 0.001629 La\n0.149405 0.288281 0.756184 Ta\n0.142034 0.293937 0.247367 Ta\n0.353404 0.797181 0.752509 Ta\n0.359515 0.781770 0.246453 Ta\n0.642034 0.706063 0.752633 Ta\n0.649405 0.711719 0.243816 Ta\n0.853404 0.202819 0.247491 Ta\n0.859514 0.218230 0.753547 Ta\n0.291107 0.123314 0.803791 N\n0.356067 0.700661 0.000619 N\n0.791107 0.876686 0.196209 N\n0.856067 0.299339 0.999381 N\n0.023926 0.025837 0.783230 O\n0.026867 0.023080 0.216179 O\n0.122345 0.399749 0.001236 O\n0.142299 0.205000 0.499157 O\n0.211451 0.617100 0.308904 O\n0.209316 0.619415 0.691171 O\n0.286767 0.119618 0.198874 O\n0.379911 0.898784 0.499390 O\n0.472564 0.512451 0.287927 O\n0.481174 0.521302 0.713154 O\n0.526867 0.976920 0.783821 O\n0.523926 0.974163 0.216770 O\n0.622345 0.600251 0.998764 O\n0.642299 0.795000 0.500843 O\n0.709316 0.380585 0.308829 O\n0.711451 0.382900 0.691096 O\n0.786767 0.880382 0.801126 O\n0.879911 0.101216 0.500610 O\n0.981174 0.478698 0.286846 O\n0.972564 0.487549 0.712073 O\n",
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{
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"structure_string": "Li32 Ti5 Cr11 O48\n1.0\n5.041023 -0.012838 0.008958\n2.503138 4.375658 -0.008958\n-0.725658 1.254803 38.550082\nLi Ti Cr O\n32 5 11 48\ndirect\n0.088145 0.086829 0.249921 Li\n0.000848 0.502053 0.999959 Li\n0.062234 0.437234 0.187500 Li\n0.127053 0.375848 0.375041 Li\n0.185710 0.316014 0.562575 Li\n0.244411 0.252180 0.749824 Li\n0.312541 0.187497 0.937528 Li\n0.034585 0.786281 0.124898 Li\n0.379911 0.127359 0.125001 Li\n0.165845 0.654500 0.500065 Li\n0.279500 0.540845 0.874935 Li\n0.439268 0.058611 0.312471 Li\n0.497601 0.999475 0.499983 Li\n0.411281 0.409585 0.250102 Li\n0.529156 0.293650 0.625050 Li\n0.217335 0.960924 0.625419 Li\n0.343621 0.836561 0.999867 Li\n0.656886 0.161375 0.999952 Li\n0.786375 0.031886 0.375048 Li\n0.461561 0.718621 0.375133 Li\n0.585924 0.592335 0.749581 Li\n0.562428 0.937428 0.687500 Li\n0.711829 0.463145 0.125079 Li\n0.836632 0.345199 0.499785 Li\n0.624475 0.872601 0.875017 Li\n0.970199 0.211632 0.875215 Li\n0.683611 0.814268 0.062529 Li\n0.752359 0.754911 0.249999 Li\n0.812497 0.687541 0.437472 Li\n0.877180 0.619411 0.625176 Li\n0.941014 0.560710 0.812425 Li\n0.918650 0.904156 0.749950 Li\n0.025555 0.142507 0.062690 Ti\n0.599969 0.232577 0.812190 Ti\n0.396136 0.771136 0.187500 Ti\n0.767507 0.400555 0.312310 Ti\n0.857577 0.974969 0.562810 Ti\n0.141277 0.016546 0.437563 Cr\n0.106664 0.727571 0.312793 Cr\n0.232928 0.607928 0.687500 Cr\n0.352571 0.481664 0.062207 Cr\n0.483729 0.358159 0.437402 Cr\n0.272590 0.893713 0.812631 Cr\n0.731187 0.106187 0.187500 Cr\n0.518713 0.647590 0.562369 Cr\n0.641546 0.516277 0.937437 Cr\n0.890962 0.265962 0.687500 Cr\n0.983159 0.858730 0.937598 Cr\n0.090872 0.049480 0.340502 O\n0.050758 0.090012 0.159198 O\n0.075009 0.435274 0.283796 O\n0.194903 0.304709 0.659343 O\n0.060274 0.450009 0.091204 O\n0.181246 0.318631 0.465775 O\n0.304425 0.200937 0.841892 O\n0.321069 0.173899 0.032944 O\n0.443753 0.056355 0.409205 O\n0.066187 0.787019 0.215556 O\n0.429943 0.073293 0.216449 O\n0.190234 0.660845 0.591298 O\n0.332407 0.532935 0.965742 O\n0.042277 0.808814 0.034324 O\n0.157935 0.707407 0.409258 O\n0.285845 0.565234 0.783702 O\n0.217567 0.917525 0.715633 O\n0.191430 0.957551 0.534534 O\n0.292429 0.841858 0.909288 O\n0.433814 0.417277 0.340676 O\n0.582289 0.282015 0.715757 O\n0.412019 0.441187 0.159444 O\n0.534489 0.325798 0.534626 O\n0.658340 0.207096 0.909235 O\n0.338862 0.809767 0.091169 O\n0.466858 0.667429 0.465712 O\n0.582551 0.566430 0.840466 O\n0.434767 0.713862 0.283831 O\n0.542525 0.592567 0.659367 O\n0.689922 0.164565 0.090265 O\n0.832096 0.033340 0.465765 O\n0.789565 0.064922 0.284735 O\n0.715012 0.425758 0.215802 O\n0.835299 0.310409 0.590497 O\n0.966910 0.167807 0.965834 O\n0.674480 0.465872 0.034498 O\n0.792807 0.341910 0.409166 O\n0.564579 0.925473 0.783583 O\n0.935409 0.210299 0.784503 O\n0.550473 0.939579 0.591417 O\n0.681355 0.818753 0.965795 O\n0.698293 0.804943 0.158551 O\n0.825937 0.679425 0.533108 O\n0.943631 0.556246 0.909225 O\n0.798899 0.696069 0.342056 O\n0.929709 0.569903 0.715657 O\n0.950798 0.909489 0.840374 O\n0.907015 0.957289 0.659243 O\n",
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{
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"structure_string": "Li8 Cr6 Co2 O16\n1.0\n-2.937919 5.112844 -0.004996\n4.448056 5.983383 4.847608\n4.426569 -0.835243 -4.852473\nLi Cr Co O\n8 6 2 16\ndirect\n0.006869 0.498982 0.491567 Li\n0.498126 0.001358 0.998103 Li\n0.493151 0.500976 0.508409 Li\n0.001908 0.998612 0.001873 Li\n0.746070 0.750087 0.750573 Li\n0.247400 0.252057 0.250332 Li\n0.753955 0.249879 0.249428 Li\n0.252679 0.747907 0.749671 Li\n0.250109 0.499981 0.000108 Cr\n0.750225 0.000066 0.500250 Cr\n0.497253 0.251195 0.749478 Cr\n0.002803 0.748706 0.250548 Cr\n0.998235 0.250227 0.750603 Cr\n0.501441 0.749781 0.249153 Cr\n0.249965 0.999995 0.499958 Co\n0.749999 0.500009 0.999987 Co\n0.360374 0.258472 0.983716 O\n0.862579 0.758569 0.483805 O\n0.139625 0.741556 0.016293 O\n0.637433 0.241431 0.516227 O\n0.858121 0.258679 0.983631 O\n0.366221 0.754407 0.483170 O\n0.641789 0.741331 0.016318 O\n0.133673 0.245616 0.516778 O\n0.376674 0.490880 0.759119 O\n0.889215 0.991574 0.265717 O\n0.881952 0.492424 0.775849 O\n0.387662 0.991215 0.264039 O\n0.123322 0.509142 0.240873 O\n0.610781 0.008469 0.734305 O\n0.618078 0.507592 0.224160 O\n0.112318 0.008821 0.735962 O\n",
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"formula_full": "Li8 Cr6 Co2 O16",
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},
{
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"created_at": "2022-09-04T14:39:05.822181Z",
"structure_string": "Tl2 Ag2 As4 Pb2 S10\n1.0\n8.099882 0.000000 0.000000\n3.404295 7.482222 0.000000\n2.315271 3.268421 8.372890\nTl Ag As Pb S\n2 2 4 2 10\ndirect\n0.695872 0.853830 0.864232 Tl\n0.304128 0.146170 0.135768 Tl\n0.890253 0.244012 0.912744 Ag\n0.109747 0.755988 0.087256 Ag\n0.889317 0.954551 0.372885 As\n0.550715 0.383363 0.191519 As\n0.449285 0.616637 0.808481 As\n0.110683 0.045449 0.627115 As\n0.751363 0.540540 0.407252 Pb\n0.248637 0.459460 0.592748 Pb\n0.816601 0.434703 0.091709 S\n0.869125 0.691581 0.589478 S\n0.787801 0.919720 0.183233 S\n0.631895 0.177874 0.450979 S\n0.378147 0.651115 0.247384 S\n0.621853 0.348885 0.752616 S\n0.368105 0.822126 0.549021 S\n0.212199 0.080280 0.816767 S\n0.130875 0.308419 0.410522 S\n0.183399 0.565297 0.908291 S\n",
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"elements": [
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],
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"density": 5.429670583627168,
"density_atomic": 0.03941352953206628,
"volume": 507.4399638258301,
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"formula_full": "Tl2 Ag2 As4 Pb2 S10",
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"spacegroup": 2
},
{
"id": "mp-26619",
"created_at": "2022-09-04T14:39:05.851012Z",
"structure_string": "Li12 V4 P8 O32\n1.0\n17.952893 0.000000 0.000000\n0.000000 4.922230 0.000000\n0.000000 4.605196 6.418292\nLi V P O\n12 4 8 32\ndirect\n0.120337 0.284242 0.497543 Li\n0.447712 0.974899 0.787657 Li\n0.379663 0.284242 0.997543 Li\n0.052288 0.974899 0.287657 Li\n0.947712 0.025101 0.712343 Li\n0.879663 0.715758 0.502457 Li\n0.801744 0.379587 0.310691 Li\n0.552288 0.025101 0.212343 Li\n0.698256 0.379587 0.810691 Li\n0.301744 0.620413 0.189309 Li\n0.620337 0.715758 0.002457 Li\n0.198256 0.620413 0.689309 Li\n0.372864 0.814220 0.484774 V\n0.627136 0.185780 0.515226 V\n0.872864 0.185780 0.015226 V\n0.127136 0.814220 0.984774 V\n0.535581 0.493388 0.729694 P\n0.785289 0.890580 0.786563 P\n0.285289 0.109420 0.713437 P\n0.964419 0.493388 0.229694 P\n0.464419 0.506612 0.270306 P\n0.714711 0.890580 0.286563 P\n0.035581 0.506612 0.770306 P\n0.214711 0.109420 0.213437 P\n0.934839 0.444887 0.425022 O\n0.309506 0.455153 0.512195 O\n0.566289 0.825782 0.532214 O\n0.198555 0.827038 0.183663 O\n0.327392 0.035353 0.903154 O\n0.698555 0.172962 0.316337 O\n0.190494 0.455153 0.012195 O\n0.690494 0.544847 0.487805 O\n0.800736 0.856580 0.265799 O\n0.699264 0.856580 0.765799 O\n0.433711 0.174218 0.467786 O\n0.827392 0.964647 0.596846 O\n0.809506 0.544847 0.987805 O\n0.939716 0.188939 0.226150 O\n0.801445 0.172962 0.816337 O\n0.172608 0.035353 0.403154 O\n0.301445 0.827038 0.683663 O\n0.448187 0.491889 0.726340 O\n0.560284 0.188939 0.726150 O\n0.066289 0.174218 0.967786 O\n0.065161 0.555113 0.574978 O\n0.060284 0.811061 0.773850 O\n0.300736 0.143420 0.234201 O\n0.434839 0.555113 0.074978 O\n0.948187 0.508111 0.773660 O\n0.933711 0.825782 0.032214 O\n0.051813 0.491889 0.226340 O\n0.565161 0.444887 0.925022 O\n0.672608 0.964647 0.096846 O\n0.199264 0.143420 0.734201 O\n0.439716 0.811061 0.273850 O\n0.551813 0.508111 0.273660 O\n",
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"formula_full": "Li12 V4 P8 O32",
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{
"id": "mp-725076",
"created_at": "2022-09-04T14:39:05.943151Z",
"structure_string": "K1 Mn1 H5 S2 O10\n1.0\n6.257170 0.000000 0.000000\n2.183895 6.354889 0.000000\n1.135872 0.371367 6.872070\nK Mn H S O\n1 1 5 2 10\ndirect\n0.600184 0.815845 0.924800 K\n0.976423 0.150438 0.215876 Mn\n0.747742 0.186718 0.688676 H\n0.610616 0.743263 0.504347 H\n0.308573 0.125939 0.434588 H\n0.347090 0.280190 0.257341 H\n0.318162 0.724518 0.283035 H\n0.924585 0.794015 0.324817 S\n0.027849 0.273648 0.757673 S\n0.304808 0.151731 0.289952 O\n0.222997 0.089244 0.682525 O\n0.717192 0.236187 0.426312 O\n0.131152 0.842264 0.154444 O\n0.773153 0.409973 0.322888 O\n0.341944 0.645245 0.415886 O\n0.055356 0.308072 0.965627 O\n0.104374 0.688759 0.496168 O\n0.719836 0.800689 0.547037 O\n0.801965 0.181261 0.818007 O\n",
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"formula_full": "K1 Mn1 H5 S2 O10",
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}
]
}