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{
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"results": [
{
"id": "mp-43114",
"created_at": "2022-09-04T14:41:23.453164Z",
"structure_string": "Ca6 Ti2 Al4 Si6 O26 F4\n1.0\n5.422948 0.000000 0.000000\n1.790454 6.847985 0.000000\n0.720651 1.411526 14.734466\nCa Ti Al Si O F\n6 2 4 6 26 4\ndirect\n0.613411 0.474160 0.774988 Ca\n0.281414 0.802640 0.446098 Ca\n0.940547 0.140933 0.112319 Ca\n0.718586 0.197360 0.553902 Ca\n0.386589 0.525840 0.225012 Ca\n0.059453 0.859067 0.887681 Ca\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.166477 0.331997 0.664294 Al\n0.166704 0.832679 0.665061 Al\n0.833523 0.668003 0.335706 Al\n0.833296 0.167321 0.334939 Al\n0.588216 0.976879 0.766910 Si\n0.252057 0.312604 0.438668 Si\n0.922099 0.644944 0.110677 Si\n0.747943 0.687396 0.561332 Si\n0.411784 0.023121 0.233090 Si\n0.077901 0.355056 0.889323 Si\n0.456889 0.814870 0.586271 O\n0.503612 0.184613 0.699864 O\n0.121094 0.150788 0.256623 O\n0.283320 0.361394 0.543331 O\n0.377648 0.842923 0.764393 O\n0.170809 0.520437 0.371220 O\n0.957840 0.821207 0.565056 O\n0.046711 0.301879 0.785803 O\n0.796198 0.496055 0.914342 O\n0.953289 0.698121 0.214197 O\n0.042160 0.178793 0.434944 O\n0.853098 0.845590 0.039733 O\n0.829191 0.479563 0.628780 O\n0.622352 0.157077 0.235607 O\n0.716680 0.638606 0.456669 O\n0.596735 0.226928 0.021977 O\n0.878906 0.849212 0.743377 O\n0.619071 0.030804 0.871065 O\n0.712613 0.512393 0.107543 O\n0.496388 0.815387 0.300136 O\n0.287387 0.487607 0.892457 O\n0.380929 0.969196 0.128935 O\n0.543111 0.185130 0.413729 O\n0.403265 0.773072 0.978023 O\n0.146902 0.154410 0.960267 O\n0.203802 0.503945 0.085658 O\n0.255328 0.559650 0.687710 F\n0.921803 0.894954 0.359244 F\n0.078197 0.105046 0.640756 F\n0.744672 0.440350 0.312290 F\n",
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"formula_full": "Ca6 Ti2 Al4 Si6 O26 F4",
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},
{
"id": "mp-1235325",
"created_at": "2022-09-04T14:46:17.621170Z",
"structure_string": "Li1 La2 Co2 Sb2 Pb2 O12\n1.0\n5.850579 -0.012416 0.021095\n-0.015426 5.979762 0.109105\n0.033489 0.154058 8.148702\nLi La Co Sb Pb O\n1 2 2 2 2 12\ndirect\n0.966165 0.738858 0.590502 Li\n0.492697 0.459875 0.758701 La\n0.995997 0.037948 0.245841 La\n0.037170 0.395815 0.463315 Co\n0.505446 0.990452 0.002764 Co\n0.987052 0.521506 0.000242 Sb\n0.507270 0.992653 0.503901 Sb\n0.498767 0.549150 0.263229 Pb\n0.023685 0.056613 0.798658 Pb\n0.586553 0.976740 0.253857 O\n0.076049 0.517249 0.758304 O\n0.452142 0.037642 0.750180 O\n0.912297 0.477433 0.240110 O\n0.214831 0.834171 0.451692 O\n0.713819 0.712531 0.951883 O\n0.819723 0.129674 0.520466 O\n0.232634 0.277906 0.025942 O\n0.362002 0.296154 0.486361 O\n0.763280 0.256045 0.961704 O\n0.652914 0.690927 0.540538 O\n0.187602 0.790242 0.040142 O\n",
"nsites": 21,
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"elements": [
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],
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"density": 7.298359312080788,
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"formula_full": "Li1 La2 Co2 Sb2 Pb2 O12",
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},
{
"id": "mp-1181947",
"created_at": "2022-09-04T14:46:17.692203Z",
"structure_string": "Mg12 B8 H36 S4 O52 F4\n1.0\n9.010091 0.000000 0.000000\n0.000000 10.191390 0.000000\n0.000000 0.000000 13.241635\nMg B H S O F\n12 8 36 4 52 4\ndirect\n0.658264 0.940866 0.250000 Mg\n0.158264 0.559134 0.250000 Mg\n0.341736 0.059134 0.750000 Mg\n0.841736 0.440866 0.750000 Mg\n0.615057 0.122357 0.606393 Mg\n0.115057 0.377643 0.893607 Mg\n0.384943 0.877643 0.106393 Mg\n0.884943 0.622357 0.393607 Mg\n0.384943 0.877643 0.393607 Mg\n0.884943 0.622357 0.106393 Mg\n0.615057 0.122357 0.893607 Mg\n0.115057 0.377643 0.606393 Mg\n0.802610 0.362107 0.514797 B\n0.302610 0.137893 0.985203 B\n0.197390 0.637893 0.014797 B\n0.697390 0.862107 0.485203 B\n0.197390 0.637893 0.485203 B\n0.697390 0.862107 0.014797 B\n0.802610 0.362107 0.985203 B\n0.302610 0.137893 0.514797 B\n0.630405 0.703590 0.359637 H\n0.130405 0.796410 0.140363 H\n0.369595 0.296410 0.859637 H\n0.869595 0.203590 0.640363 H\n0.369595 0.296410 0.640363 H\n0.869595 0.203590 0.859637 H\n0.630405 0.703590 0.140363 H\n0.130405 0.796410 0.359637 H\n0.620072 0.293226 0.441901 H\n0.120072 0.206774 0.058099 H\n0.379928 0.706774 0.941901 H\n0.879928 0.793226 0.558099 H\n0.379928 0.706774 0.558099 H\n0.879928 0.793226 0.941901 H\n0.620072 0.293226 0.058099 H\n0.120072 0.206774 0.441901 H\n0.834655 0.382245 0.139943 H\n0.334655 0.117755 0.360057 H\n0.165345 0.617755 0.639943 H\n0.665345 0.882245 0.860057 H\n0.165345 0.617755 0.860057 H\n0.665345 0.882245 0.639943 H\n0.834655 0.382245 0.360057 H\n0.334655 0.117755 0.139943 H\n0.937293 0.989756 0.307208 H\n0.437293 0.510244 0.192792 H\n0.062707 0.010244 0.807208 H\n0.562707 0.489756 0.692792 H\n0.062707 0.010244 0.692792 H\n0.562707 0.489756 0.807208 H\n0.937293 0.989756 0.192792 H\n0.437293 0.510244 0.307208 H\n0.325257 0.382220 0.750000 H\n0.825257 0.117780 0.750000 H\n0.674743 0.617780 0.250000 H\n0.174743 0.882220 0.250000 H\n0.014746 0.261542 0.250000 S\n0.514746 0.238458 0.250000 S\n0.985254 0.738458 0.750000 S\n0.485254 0.761542 0.750000 S\n0.970969 0.821235 0.658019 O\n0.470969 0.678765 0.841981 O\n0.029031 0.178765 0.158019 O\n0.529031 0.321235 0.341981 O\n0.029031 0.178765 0.341981 O\n0.529031 0.321235 0.158019 O\n0.970969 0.821235 0.841981 O\n0.470969 0.678765 0.658019 O\n0.863373 0.325269 0.250000 O\n0.363373 0.174731 0.250000 O\n0.136627 0.674731 0.750000 O\n0.636627 0.825269 0.750000 O\n0.628311 0.132589 0.250000 O\n0.128311 0.367411 0.250000 O\n0.371689 0.867411 0.750000 O\n0.871689 0.632589 0.750000 O\n0.620989 0.878788 0.398262 O\n0.120989 0.621212 0.101738 O\n0.379011 0.121212 0.898262 O\n0.879011 0.378788 0.601738 O\n0.379011 0.121212 0.601738 O\n0.879011 0.378788 0.898262 O\n0.620989 0.878788 0.101738 O\n0.120989 0.621212 0.398262 O\n0.821900 0.120727 0.658195 O\n0.321900 0.379273 0.841805 O\n0.178100 0.879273 0.158195 O\n0.678100 0.620727 0.341805 O\n0.178100 0.879273 0.341805 O\n0.678100 0.620727 0.158195 O\n0.821900 0.120727 0.841805 O\n0.321900 0.379273 0.658195 O\n0.675252 0.281724 0.508778 O\n0.175252 0.218276 0.991222 O\n0.324748 0.718276 0.008778 O\n0.824748 0.781724 0.491222 O\n0.324748 0.718276 0.491222 O\n0.824748 0.781724 0.008778 O\n0.675252 0.281724 0.991222 O\n0.175252 0.218276 0.508778 O\n0.117063 0.049250 0.750000 O\n0.617063 0.450750 0.750000 O\n0.882937 0.950750 0.250000 O\n0.382937 0.549250 0.250000 O\n0.145144 0.574587 0.571613 O\n0.645144 0.925413 0.928387 O\n0.854856 0.425413 0.071613 O\n0.354856 0.074587 0.428387 O\n0.854856 0.425413 0.428387 O\n0.354856 0.074587 0.071613 O\n0.145144 0.574587 0.928387 O\n0.645144 0.925413 0.571613 O\n0.049422 0.372514 0.750000 F\n0.549422 0.127486 0.750000 F\n0.950578 0.627486 0.250000 F\n0.450578 0.872514 0.250000 F\n",
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"elements": [
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],
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"formula_full": "Mg12 B8 H36 S4 O52 F4",
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"energy": -713.39144323,
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"spacegroup": 62
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{
"id": "mp-1221251",
"created_at": "2022-09-04T14:46:17.705232Z",
"structure_string": "Na4 Ni1 Ag2 S8 N5 O12\n1.0\n-6.958804 6.958804 2.979050\n6.958804 -6.958804 2.979050\n6.958804 6.958804 -2.979050\nNa Ni Ag S N O\n4 1 2 8 5 12\ndirect\n0.326833 0.786009 0.113241 Na\n0.672767 0.213592 0.886759 Na\n0.786009 0.672767 0.459176 Na\n0.213592 0.326833 0.540824 Na\n0.950991 0.950991 0.000000 Ni\n0.250022 0.750022 0.500000 Ag\n0.750022 0.250022 0.500000 Ag\n0.083377 0.619773 0.702843 S\n0.916929 0.380534 0.297157 S\n0.619773 0.916929 0.536395 S\n0.380534 0.083377 0.463605 S\n0.234336 0.591259 0.825577 S\n0.765682 0.408759 0.174423 S\n0.591259 0.765682 0.356923 S\n0.408759 0.234336 0.643077 S\n0.673324 0.673324 0.000000 N\n0.031227 0.867377 0.907823 N\n0.959555 0.123404 0.092177 N\n0.867377 0.959555 0.836150 N\n0.123404 0.031227 0.163850 N\n0.251171 0.488622 0.739228 O\n0.749394 0.511944 0.260772 O\n0.488622 0.749394 0.237450 O\n0.511944 0.251171 0.762550 O\n0.471212 0.846011 0.907928 O\n0.938082 0.563284 0.092072 O\n0.846011 0.938082 0.374799 O\n0.563284 0.471212 0.625201 O\n0.528860 0.154090 0.092145 O\n0.061944 0.436714 0.907855 O\n0.154090 0.061944 0.625230 O\n0.436714 0.528860 0.374770 O\n",
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"formula_full": "Na4 Ni1 Ag2 S8 N5 O12",
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{
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"structure_string": "Ba6 Ca1 Nb2 Ir1 Cl2 O12\n1.0\n6.202629 -0.123756 -0.422468\n-3.210255 5.298821 0.402252\n-1.016752 0.523930 15.744539\nBa Ca Nb Ir Cl O\n6 1 2 1 2 12\ndirect\n0.269618 0.721911 0.366339 Ba\n0.425460 0.588959 0.769190 Ba\n0.730382 0.278089 0.633661 Ba\n0.761973 0.253248 0.880882 Ba\n0.238027 0.746752 0.119118 Ba\n0.574540 0.411041 0.230810 Ba\n0.500000 0.500000 0.000000 Ca\n0.102388 0.911171 0.810584 Nb\n0.897612 0.088829 0.189416 Nb\n0.000000 0.000000 0.000000 Ir\n0.671907 0.328213 0.428007 Cl\n0.328093 0.671787 0.571993 Cl\n0.268879 0.190421 0.905587 O\n0.388784 0.117166 0.743520 O\n0.121447 0.388264 0.253545 O\n0.878553 0.611736 0.746455 O\n0.905913 0.084389 0.759414 O\n0.731121 0.809579 0.094413 O\n0.094087 0.915611 0.240586 O\n0.182646 0.258718 0.090043 O\n0.738348 0.266412 0.116296 O\n0.817354 0.741282 0.909957 O\n0.611216 0.882834 0.256480 O\n0.261652 0.733588 0.883704 O\n",
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],
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{
"id": "mp-1227882",
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"structure_string": "Ba1 Sr1 Co1 Cu2 S2 O2\n1.0\n3.974171 0.000000 0.000000\n0.000000 3.974171 0.000000\n1.987085 1.987085 9.629098\nBa Sr Co Cu S O\n1 1 1 2 2 2\ndirect\n0.597218 0.597218 0.805565 Ba\n0.406587 0.406587 0.186826 Sr\n0.995349 0.995349 0.009302 Co\n0.252328 0.752328 0.495345 Cu\n0.752328 0.252328 0.495345 Cu\n0.181138 0.181138 0.637723 S\n0.825296 0.825296 0.349408 S\n0.994878 0.494878 0.010243 O\n0.494878 0.994878 0.010243 O\n",
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"formula_full": "Ba1 Sr1 Co1 Cu2 S2 O2",
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{
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"structure_string": "Ba8 Na2 Ga4 B16 Br6 O36\n1.0\n12.390143 0.000000 0.000000\n0.000000 12.390143 0.000000\n0.000000 0.000000 6.989228\nBa Na Ga B Br O\n8 2 4 16 6 36\ndirect\n0.983271 0.273917 0.012377 Ba\n0.016729 0.726083 0.012377 Ba\n0.516729 0.773917 0.512377 Ba\n0.483271 0.226083 0.512377 Ba\n0.726083 0.016729 0.012377 Ba\n0.273917 0.983271 0.012377 Ba\n0.773917 0.516729 0.512377 Ba\n0.226083 0.483271 0.512377 Ba\n0.000000 0.000000 0.359569 Na\n0.500000 0.500000 0.859569 Na\n0.798174 0.201826 0.517604 Ga\n0.201826 0.798174 0.517604 Ga\n0.701826 0.701826 0.017604 Ga\n0.298174 0.298174 0.017604 Ga\n0.036778 0.232656 0.552912 B\n0.963222 0.767344 0.552912 B\n0.463222 0.732656 0.052912 B\n0.536778 0.267344 0.052912 B\n0.767344 0.963222 0.552912 B\n0.232656 0.036778 0.552912 B\n0.732656 0.463222 0.052912 B\n0.267344 0.536778 0.052912 B\n0.733014 0.266986 0.142929 B\n0.266986 0.733014 0.142929 B\n0.766986 0.766986 0.642929 B\n0.233014 0.233014 0.642929 B\n0.683817 0.316183 0.818138 B\n0.316183 0.683817 0.818138 B\n0.816183 0.816183 0.318138 B\n0.183817 0.183817 0.318138 B\n0.000000 0.000000 0.933848 Br\n0.500000 0.500000 0.433848 Br\n0.000000 0.500000 0.782625 Br\n0.500000 0.000000 0.282625 Br\n0.500000 0.000000 0.782625 Br\n0.000000 0.500000 0.282625 Br\n0.752502 0.247498 0.937092 O\n0.247498 0.752502 0.937092 O\n0.747498 0.747498 0.437092 O\n0.252502 0.252502 0.437092 O\n0.116600 0.256390 0.685643 O\n0.883400 0.743610 0.685643 O\n0.383400 0.756390 0.185643 O\n0.616600 0.243610 0.185643 O\n0.743610 0.883400 0.685643 O\n0.256390 0.116600 0.685643 O\n0.756390 0.383400 0.185643 O\n0.243610 0.616600 0.185643 O\n0.064028 0.200947 0.368144 O\n0.935972 0.799053 0.368144 O\n0.435972 0.700947 0.868144 O\n0.564028 0.299053 0.868144 O\n0.799053 0.935972 0.368144 O\n0.200947 0.064028 0.368144 O\n0.700947 0.435972 0.868144 O\n0.299053 0.564028 0.868144 O\n0.699217 0.300783 0.614980 O\n0.300783 0.699217 0.614980 O\n0.800783 0.800783 0.114980 O\n0.199217 0.199217 0.114980 O\n0.803458 0.196542 0.252145 O\n0.196542 0.803458 0.252145 O\n0.696542 0.696542 0.752145 O\n0.303458 0.303458 0.752145 O\n0.932794 0.237667 0.616814 O\n0.067206 0.762333 0.616814 O\n0.567206 0.737667 0.116814 O\n0.432794 0.262333 0.116814 O\n0.762333 0.067206 0.616814 O\n0.237667 0.932794 0.616814 O\n0.737667 0.567206 0.116814 O\n0.262333 0.432794 0.116814 O\n",
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},
{
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"structure_string": "Li4 Mn2 Fe3 Sn1 P6 O24\n1.0\n8.589280 0.000000 0.000000\n3.884875 7.752906 0.000000\n3.899795 2.482514 7.360875\nLi Mn Fe Sn P O\n4 2 3 1 6 24\ndirect\n0.254280 0.649360 0.848097 Li\n0.707931 0.355717 0.151556 Li\n0.357695 0.150741 0.712358 Li\n0.149845 0.706457 0.358435 Li\n0.979763 0.000391 0.994115 Mn\n0.514506 0.501018 0.496200 Mn\n0.849468 0.852320 0.849033 Fe\n0.651735 0.649505 0.644744 Fe\n0.347899 0.343634 0.351387 Fe\n0.148482 0.148167 0.153989 Sn\n0.753799 0.050224 0.450593 P\n0.441696 0.750679 0.050983 P\n0.057883 0.450756 0.756045 P\n0.947088 0.557464 0.253281 P\n0.555564 0.255734 0.945486 P\n0.254851 0.944649 0.558518 P\n0.893652 0.489981 0.705734 O\n0.692185 0.899138 0.477625 O\n0.948756 0.734134 0.086941 O\n0.448119 0.697249 0.902479 O\n0.988957 0.392969 0.192481 O\n0.757882 0.571800 0.397453 O\n0.739330 0.103224 0.922678 O\n0.546655 0.415840 0.765260 O\n0.828631 0.014190 0.594953 O\n0.399307 0.753073 0.574504 O\n0.904665 0.080636 0.248382 O\n0.599836 0.814182 0.003180 O\n0.393953 0.185973 0.990359 O\n0.103312 0.923016 0.746232 O\n0.603631 0.244380 0.426104 O\n0.190897 0.985200 0.397482 O\n0.425585 0.597480 0.243587 O\n0.243841 0.904828 0.087733 O\n0.247786 0.421286 0.602066 O\n0.044601 0.593958 0.820913 O\n0.527511 0.317034 0.099452 O\n0.079759 0.249578 0.909070 O\n0.321288 0.096648 0.527925 O\n0.097373 0.524385 0.325592 O\n",
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{
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{
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"structure_string": "Cu2 H16 C4 Br6 N2 O2\n1.0\n6.495136 0.000000 0.000000\n1.903919 8.208713 0.000000\n1.577471 3.014771 8.303984\nCu H C Br N O\n2 16 4 6 2 2\ndirect\n0.260885 0.067549 0.392045 Cu\n0.739115 0.932451 0.607955 Cu\n0.852754 0.198056 0.059539 H\n0.354774 0.629292 0.724350 H\n0.691313 0.534818 0.602969 H\n0.873848 0.467521 0.848135 H\n0.126152 0.532479 0.151865 H\n0.456276 0.635946 0.290011 H\n0.543724 0.364054 0.709989 H\n0.308687 0.465182 0.397031 H\n0.922941 0.293212 0.771262 H\n0.077059 0.706788 0.228738 H\n0.666811 0.155039 0.979566 H\n0.609103 0.321681 0.051994 H\n0.333189 0.844961 0.020434 H\n0.147246 0.801944 0.940461 H\n0.645226 0.370708 0.275650 H\n0.390897 0.678319 0.948006 H\n0.622304 0.460848 0.723090 C\n0.198935 0.627803 0.171496 C\n0.377696 0.539152 0.276910 C\n0.801065 0.372197 0.828504 C\n0.625967 0.909714 0.366561 Br\n0.919314 0.244944 0.437206 Br\n0.080686 0.755056 0.562794 Br\n0.374033 0.090286 0.633439 Br\n0.781545 0.885706 0.886966 Br\n0.218455 0.114294 0.113034 Br\n0.274759 0.745234 0.009976 N\n0.725241 0.254766 0.990024 N\n0.527729 0.426060 0.206561 O\n0.472271 0.573940 0.793439 O\n",
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"formula_full": "Cu2 H16 C4 Br6 N2 O2",
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},
{
"id": "mp-556622",
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"structure_string": "Tl16 Os8 C8 Br16 O8 F24\n1.0\n12.031761 0.000000 0.000000\n0.000000 11.524739 0.000000\n0.000000 11.110902 14.085431\nTl Os C Br O F\n16 8 8 16 8 24\ndirect\n0.937915 0.500853 0.369999 Tl\n0.062085 0.499147 0.630001 Tl\n0.835997 0.488164 0.063234 Tl\n0.437915 0.499147 0.130001 Tl\n0.443344 0.986697 0.650253 Tl\n0.664003 0.488164 0.563234 Tl\n0.335997 0.511836 0.436766 Tl\n0.943344 0.013303 0.849747 Tl\n0.156183 0.212605 0.265748 Tl\n0.343817 0.212605 0.765748 Tl\n0.562085 0.500853 0.869999 Tl\n0.843817 0.787395 0.734252 Tl\n0.164003 0.511836 0.936766 Tl\n0.656183 0.787395 0.234252 Tl\n0.556656 0.013303 0.349747 Tl\n0.056656 0.986697 0.150253 Tl\n0.106026 0.180582 0.611871 Os\n0.099010 0.640335 0.095523 Os\n0.900990 0.359665 0.904477 Os\n0.400990 0.640335 0.595523 Os\n0.393974 0.180582 0.111871 Os\n0.606026 0.819418 0.888129 Os\n0.893974 0.819418 0.388129 Os\n0.599010 0.359665 0.404477 Os\n0.673587 0.184651 0.476265 C\n0.400553 0.152075 0.022929 C\n0.173587 0.815349 0.023735 C\n0.326413 0.815349 0.523735 C\n0.826413 0.184651 0.976265 C\n0.099447 0.152075 0.522929 C\n0.599447 0.847925 0.977071 C\n0.900553 0.847925 0.477071 C\n0.387254 0.911891 0.245950 Br\n0.932834 0.759425 0.103618 Br\n0.315406 0.575197 0.742707 Br\n0.887254 0.088109 0.254050 Br\n0.567166 0.759425 0.603618 Br\n0.100064 0.812227 0.380316 Br\n0.112746 0.911891 0.745950 Br\n0.612746 0.088109 0.754050 Br\n0.684594 0.424803 0.257293 Br\n0.600064 0.187773 0.119684 Br\n0.432834 0.240575 0.396382 Br\n0.899936 0.187773 0.619684 Br\n0.399936 0.812227 0.880316 Br\n0.184594 0.575197 0.242707 Br\n0.815406 0.424803 0.757293 Br\n0.067166 0.240575 0.896382 Br\n0.092091 0.135584 0.464555 O\n0.280215 0.930224 0.478761 O\n0.407909 0.135584 0.964555 O\n0.219785 0.930224 0.978761 O\n0.907909 0.864416 0.535445 O\n0.780215 0.069776 0.021239 O\n0.592091 0.864416 0.035445 O\n0.719785 0.069776 0.521239 O\n0.389320 0.217875 0.213503 F\n0.513207 0.561290 0.322901 F\n0.892518 0.596866 0.481419 F\n0.226670 0.195854 0.114103 F\n0.107482 0.403134 0.518581 F\n0.773330 0.804146 0.885897 F\n0.971823 0.341941 0.013548 F\n0.213956 0.514980 0.092780 F\n0.286044 0.514980 0.592780 F\n0.471823 0.658059 0.486452 F\n0.110680 0.217875 0.713503 F\n0.028177 0.658059 0.986452 F\n0.528177 0.341941 0.513548 F\n0.607482 0.596866 0.981419 F\n0.486793 0.438710 0.677099 F\n0.713956 0.485020 0.407220 F\n0.013207 0.438710 0.177099 F\n0.786044 0.485020 0.907220 F\n0.273330 0.195854 0.614103 F\n0.986793 0.561290 0.822901 F\n0.726670 0.804146 0.385897 F\n0.889320 0.782125 0.286497 F\n0.610680 0.782125 0.786497 F\n0.392518 0.403134 0.018581 F\n",
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],
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"formula_full": "Tl16 Os8 C8 Br16 O8 F24",
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},
{
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"structure_string": "Mg1 Fe3 Ni2 Sb1 P6 O24\n1.0\n8.689920 -0.060767 -0.042895\n4.323817 7.538108 -0.042893\n4.323817 2.484348 7.117083\nMg Fe Ni Sb P O\n1 3 2 1 6 24\ndirect\n0.124238 0.124238 0.124238 Mg\n0.245708 0.245708 0.245707 Fe\n0.363273 0.363273 0.363273 Fe\n0.643224 0.643225 0.643224 Fe\n0.993957 0.993961 0.993961 Ni\n0.500048 0.500046 0.500047 Ni\n0.846035 0.846035 0.846035 Sb\n0.044633 0.743726 0.440989 P\n0.440990 0.044633 0.743726 P\n0.743726 0.440990 0.044633 P\n0.250517 0.544610 0.940469 P\n0.544610 0.940469 0.250517 P\n0.940470 0.250517 0.544610 P\n0.107047 0.309317 0.494683 O\n0.309317 0.494682 0.107047 O\n0.048121 0.892694 0.246071 O\n0.494683 0.107047 0.309317 O\n0.014131 0.829264 0.578948 O\n0.244388 0.591930 0.430504 O\n0.246071 0.048121 0.892694 O\n0.430504 0.244388 0.591931 O\n0.190825 0.379777 0.993001 O\n0.591931 0.430503 0.244389 O\n0.087798 0.738769 0.932755 O\n0.379777 0.993000 0.190825 O\n0.578949 0.014131 0.829264 O\n0.892694 0.246072 0.048121 O\n0.405909 0.564979 0.747474 O\n0.829263 0.578949 0.014131 O\n0.564979 0.747474 0.405909 O\n0.738769 0.932755 0.087798 O\n0.747474 0.405909 0.564978 O\n0.993001 0.190825 0.379777 O\n0.514662 0.893266 0.660384 O\n0.932755 0.087798 0.738769 O\n0.660384 0.514663 0.893266 O\n0.893266 0.660385 0.514663 O\n",
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}
]
}