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{
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{
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"formula_full": "Rb8 Tl4 Cl20 O4",
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{
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"structure_string": "K12 C24 N36\n1.0\n12.136704 0.000000 0.000000\n0.000000 3.874209 0.000000\n0.000000 2.964669 24.667723\nK C N\n12 24 36\ndirect\n0.650625 0.578489 0.487480 K\n0.997088 0.885915 0.758773 K\n0.412845 0.635048 0.899253 K\n0.587155 0.364952 0.100747 K\n0.502912 0.885915 0.258773 K\n0.087155 0.635048 0.399253 K\n0.849375 0.578489 0.987480 K\n0.150625 0.421511 0.012520 K\n0.349375 0.421511 0.512520 K\n0.497088 0.114085 0.741227 K\n0.912845 0.364952 0.600747 K\n0.002912 0.114085 0.241227 K\n0.491999 0.086633 0.403298 C\n0.247905 0.289189 0.292314 C\n0.323550 0.766396 0.119351 C\n0.508001 0.913367 0.596702 C\n0.143944 0.722154 0.148134 C\n0.629345 0.027103 0.968365 C\n0.370655 0.972897 0.031635 C\n0.215643 0.537509 0.706174 C\n0.991999 0.913367 0.096702 C\n0.784357 0.462491 0.293826 C\n0.284357 0.537509 0.206174 C\n0.176450 0.766396 0.619351 C\n0.870655 0.027103 0.468365 C\n0.676450 0.233604 0.880649 C\n0.752095 0.710811 0.707686 C\n0.856056 0.277846 0.851866 C\n0.747905 0.710811 0.207686 C\n0.643944 0.277846 0.351866 C\n0.823550 0.233604 0.380649 C\n0.008001 0.086633 0.903298 C\n0.252095 0.289189 0.792314 C\n0.715643 0.462491 0.793826 C\n0.129345 0.972897 0.531635 C\n0.356056 0.722154 0.648134 C\n0.466752 0.772382 0.642048 N\n0.149409 0.080089 0.485779 N\n0.649409 0.919911 0.014221 N\n0.533248 0.227618 0.357952 N\n0.862777 0.366638 0.331539 N\n0.350591 0.080089 0.985779 N\n0.850591 0.919911 0.514221 N\n0.174640 0.581499 0.198301 N\n0.814068 0.814181 0.672469 N\n0.185932 0.185819 0.327531 N\n0.314068 0.185819 0.827531 N\n0.321629 0.389331 0.255610 N\n0.325360 0.581499 0.698301 N\n0.685932 0.814181 0.172469 N\n0.785014 0.188544 0.893485 N\n0.598202 0.142039 0.919571 N\n0.098202 0.857961 0.580429 N\n0.901798 0.142039 0.419571 N\n0.401798 0.857961 0.080429 N\n0.825360 0.418501 0.801699 N\n0.674640 0.418501 0.301699 N\n0.678371 0.610669 0.744390 N\n0.362777 0.633362 0.168461 N\n0.285014 0.811456 0.606515 N\n0.445530 0.958036 0.442802 N\n0.821629 0.610669 0.244390 N\n0.714986 0.188544 0.393485 N\n0.637223 0.366638 0.831539 N\n0.033248 0.772382 0.142048 N\n0.054470 0.958036 0.942802 N\n0.178371 0.389331 0.755610 N\n0.554470 0.041964 0.557198 N\n0.214986 0.811456 0.106515 N\n0.966752 0.227618 0.857952 N\n0.945530 0.041964 0.057198 N\n0.137223 0.633362 0.668461 N\n",
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{
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"created_at": "2022-09-04T14:39:25.707863Z",
"structure_string": "Mn1 Si1 Ni1\n1.0\n0.000000 2.730943 2.730943\n2.730943 0.000000 2.730943\n2.730943 2.730943 0.000000\nMn Si Ni\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Si\n0.250000 0.250000 0.250000 Ni\n",
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{
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"created_at": "2022-09-04T14:39:35.942250Z",
"structure_string": "Li6 Co2 O1 F11\n1.0\n5.126991 0.012653 -0.001036\n-2.560566 1.515027 4.569131\n2.545292 -7.166773 4.433207\nLi Co O F\n6 2 1 11\ndirect\n0.109613 0.349774 0.081551 Li\n0.178947 0.873261 0.568265 Li\n0.342715 0.893350 0.166768 Li\n0.370127 0.378533 0.682628 Li\n0.850692 0.151910 0.437748 Li\n0.632410 0.096476 0.813303 Li\n0.660761 0.643090 0.321845 Co\n0.840170 0.605466 0.925888 Co\n0.613352 0.626618 0.134109 O\n0.041256 0.022291 0.227363 F\n0.049385 0.519592 0.726903 F\n0.447212 0.856638 0.358397 F\n0.282570 0.309983 0.455487 F\n0.233562 0.766192 0.969922 F\n0.750604 0.725334 0.516025 F\n0.742775 0.226408 0.022815 F\n0.441748 0.387651 0.890966 F\n0.542008 0.124837 0.624917 F\n0.930893 0.480770 0.279105 F\n0.919974 0.934551 0.795477 F\n",
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{
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{
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"structure_string": "K1 Ca2 P4 H11 O18\n1.0\n-5.700832 0.000000 0.000000\n2.685314 5.758227 0.000000\n-1.201688 -2.607975 -11.945655\nK Ca P H O\n1 2 4 11 18\ndirect\n0.510884 0.014424 0.465684 K\n0.996640 0.293835 0.094608 Ca\n0.003226 0.699048 0.894514 Ca\n0.858272 0.627182 0.361824 P\n0.499387 0.208628 0.900192 P\n0.504612 0.788044 0.089848 P\n0.165702 0.383286 0.633502 P\n0.010638 0.501045 0.498361 H\n0.968678 0.936263 0.699853 H\n0.734497 0.688233 0.692494 H\n0.523230 0.501893 0.487911 H\n0.633990 0.592034 0.187518 H\n0.376292 0.070435 0.192077 H\n0.623628 0.933183 0.791692 H\n0.367980 0.410010 0.807379 H\n0.262199 0.311081 0.301345 H\n0.023510 0.019435 0.515890 H\n0.043316 0.057055 0.297440 H\n0.949330 0.408079 0.576968 O\n0.752195 0.317308 0.963820 O\n0.858835 0.557522 0.234094 O\n0.850301 0.827520 0.747063 O\n0.903045 0.892677 0.401640 O\n0.534461 0.035250 0.170936 O\n0.533604 0.401952 0.830847 O\n0.580781 0.460503 0.401781 O\n0.245542 0.138089 0.963736 O\n0.761551 0.855935 0.029245 O\n0.438706 0.536725 0.596254 O\n0.470253 0.605014 0.166095 O\n0.116759 0.105654 0.593113 O\n0.464911 0.966531 0.813374 O\n0.152665 0.167271 0.247943 O\n0.141011 0.427618 0.760769 O\n0.254773 0.672555 0.023673 O\n0.068895 0.588885 0.416048 O\n",
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{
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"structure_string": "Ca6 Sn6 As8 O32\n1.0\n5.539721 0.000000 0.000000\n0.000000 9.817686 0.000000\n0.000000 8.891239 15.751575\nCa Sn As O\n6 6 8 32\ndirect\n0.933299 0.184920 0.744044 Ca\n0.433299 0.815080 0.755956 Ca\n0.066701 0.815080 0.255956 Ca\n0.566701 0.184920 0.244044 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.980682 0.551638 0.134595 Sn\n0.019318 0.448362 0.865405 Sn\n0.480682 0.448362 0.365405 Sn\n0.519318 0.551638 0.634595 Sn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.470109 0.253538 0.857247 As\n0.972486 0.773816 0.887812 As\n0.472486 0.226184 0.612188 As\n0.527514 0.773816 0.387812 As\n0.529891 0.746462 0.142753 As\n0.027514 0.226184 0.112188 As\n0.029891 0.253538 0.357247 As\n0.970109 0.746462 0.642753 As\n0.110761 0.671217 0.741139 O\n0.465665 0.213765 0.521830 O\n0.086666 0.932912 0.800277 O\n0.915326 0.587794 0.624790 O\n0.913334 0.067088 0.199723 O\n0.389239 0.671217 0.241139 O\n0.586666 0.067088 0.699723 O\n0.808144 0.715580 0.371356 O\n0.845437 0.112562 0.425573 O\n0.889239 0.328783 0.258861 O\n0.584674 0.587794 0.124790 O\n0.191856 0.284420 0.628644 O\n0.168978 0.619880 0.905088 O\n0.154563 0.887438 0.574427 O\n0.823723 0.805660 0.146196 O\n0.323723 0.194340 0.353804 O\n0.668978 0.380120 0.594912 O\n0.413334 0.932912 0.300277 O\n0.345437 0.887438 0.074427 O\n0.308144 0.284420 0.128644 O\n0.676277 0.805660 0.646196 O\n0.176277 0.194340 0.853804 O\n0.534335 0.786235 0.478170 O\n0.965665 0.786235 0.978170 O\n0.831022 0.380120 0.094912 O\n0.610761 0.328783 0.758861 O\n0.084674 0.412206 0.375210 O\n0.654563 0.112562 0.925573 O\n0.034335 0.213765 0.021830 O\n0.691856 0.715580 0.871356 O\n0.331022 0.619880 0.405088 O\n0.415326 0.412206 0.875210 O\n",
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{
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{
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{
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"structure_string": "Na3 Ir1 N6 O12\n1.0\n5.528013 -4.043959 0.000000\n5.528013 4.043959 0.000000\n2.569698 0.000000 6.348952\nNa Ir N O\n3 1 6 12\ndirect\n0.734097 0.734097 0.734097 Na\n0.265903 0.265903 0.265903 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ir\n0.173376 0.799070 0.799070 N\n0.799070 0.799070 0.173376 N\n0.799070 0.173376 0.799070 N\n0.200930 0.826624 0.200930 N\n0.826624 0.200930 0.200930 N\n0.200930 0.200930 0.826624 N\n0.282239 0.912449 0.282239 O\n0.717761 0.087551 0.717761 O\n0.717761 0.717761 0.087551 O\n0.087551 0.717761 0.717761 O\n0.629237 0.240980 0.240980 O\n0.240980 0.240980 0.629237 O\n0.240980 0.629237 0.240980 O\n0.759020 0.370763 0.759020 O\n0.370763 0.759020 0.759020 O\n0.759020 0.759020 0.370763 O\n0.912449 0.282239 0.282239 O\n0.282239 0.282239 0.912449 O\n",
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},
{
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"created_at": "2022-09-04T14:39:40.222940Z",
"structure_string": "Sm20 Ir12\n1.0\n11.142383 0.000000 0.000000\n0.000000 11.142383 0.000000\n0.000000 0.000000 6.484295\nSm Ir\n20 12\ndirect\n0.290422 0.087983 0.379923 Sm\n0.290422 0.912017 0.879923 Sm\n0.709578 0.087983 0.879923 Sm\n0.709578 0.912017 0.379923 Sm\n0.587983 0.790422 0.879923 Sm\n0.587983 0.209578 0.379923 Sm\n0.412017 0.790422 0.379923 Sm\n0.412017 0.209578 0.879923 Sm\n0.209578 0.412017 0.620077 Sm\n0.209578 0.587983 0.120077 Sm\n0.790422 0.412017 0.120077 Sm\n0.790422 0.587983 0.620077 Sm\n0.912017 0.709578 0.120077 Sm\n0.912017 0.290422 0.620077 Sm\n0.087983 0.709578 0.620077 Sm\n0.087983 0.290422 0.120077 Sm\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.000000 Sm\n0.500000 0.500000 0.500000 Sm\n0.846392 0.153608 0.250000 Ir\n0.846392 0.846392 0.750000 Ir\n0.153608 0.153608 0.750000 Ir\n0.153608 0.846392 0.250000 Ir\n0.653608 0.346392 0.750000 Ir\n0.653608 0.653608 0.250000 Ir\n0.346392 0.346392 0.250000 Ir\n0.346392 0.653608 0.750000 Ir\n0.500000 0.000000 0.114433 Ir\n0.500000 0.000000 0.614433 Ir\n0.000000 0.500000 0.885567 Ir\n0.000000 0.500000 0.385567 Ir\n",
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"formula_full": "Sm20 Ir12",
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]
}