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{
"id": "mp-1207819",
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"structure_string": "Tm4 Tl4 Mo8 O32\n1.0\n0.000000 -6.089619 0.000000\n-15.331168 0.000000 0.000000\n0.000000 0.000000 -9.075543\nTm Tl Mo O\n4 4 8 32\ndirect\n0.750000 0.893736 0.695178 Tm\n0.250000 0.106264 0.304822 Tm\n0.250000 0.606264 0.195178 Tm\n0.750000 0.393736 0.804822 Tm\n0.750000 0.625268 0.556220 Tl\n0.250000 0.374732 0.443780 Tl\n0.250000 0.874732 0.056220 Tl\n0.750000 0.125268 0.943780 Tl\n0.750000 0.960494 0.282554 Mo\n0.250000 0.039506 0.717446 Mo\n0.250000 0.539506 0.782554 Mo\n0.750000 0.460494 0.217446 Mo\n0.750000 0.716214 0.995650 Mo\n0.250000 0.283786 0.004350 Mo\n0.250000 0.783786 0.495650 Mo\n0.750000 0.216214 0.504350 Mo\n0.750000 0.852915 0.219681 O\n0.250000 0.147085 0.780319 O\n0.250000 0.647085 0.719681 O\n0.750000 0.352915 0.280319 O\n0.750000 0.962681 0.480249 O\n0.250000 0.037319 0.519751 O\n0.250000 0.537319 0.980249 O\n0.750000 0.462681 0.019751 O\n0.750000 0.640275 0.851872 O\n0.250000 0.359725 0.148128 O\n0.250000 0.859725 0.351872 O\n0.750000 0.140275 0.648128 O\n0.750000 0.822786 0.907830 O\n0.250000 0.177214 0.092170 O\n0.250000 0.677214 0.407830 O\n0.750000 0.322786 0.592170 O\n0.002299 0.804212 0.601965 O\n0.997701 0.195788 0.398035 O\n0.997701 0.695788 0.101965 O\n0.502299 0.195788 0.398035 O\n0.002299 0.304212 0.898035 O\n0.497701 0.804212 0.601965 O\n0.497701 0.304212 0.898035 O\n0.502299 0.695788 0.101965 O\n0.490442 0.982034 0.789447 O\n0.509558 0.017966 0.210554 O\n0.509558 0.517966 0.289446 O\n0.990442 0.017966 0.210554 O\n0.490442 0.482034 0.710553 O\n0.009558 0.982034 0.789447 O\n0.009558 0.482034 0.710553 O\n0.990442 0.517966 0.289446 O\n",
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},
{
"id": "mp-1208422",
"created_at": "2022-09-04T14:47:32.397688Z",
"structure_string": "Tl4 Cr8 Fe4 O32\n1.0\n5.552511 0.000000 0.000000\n0.000000 8.874408 0.000000\n0.000000 0.000000 14.819441\nTl Cr Fe O\n4 8 4 32\ndirect\n0.250000 0.056650 0.382321 Tl\n0.750000 0.943350 0.617679 Tl\n0.750000 0.556650 0.117679 Tl\n0.250000 0.443350 0.882321 Tl\n0.250000 0.256440 0.160439 Cr\n0.750000 0.743560 0.839561 Cr\n0.750000 0.756440 0.339561 Cr\n0.250000 0.243560 0.660439 Cr\n0.250000 0.816464 0.064105 Cr\n0.750000 0.183536 0.935895 Cr\n0.750000 0.316464 0.435895 Cr\n0.250000 0.683536 0.564105 Cr\n0.250000 0.504408 0.343173 Fe\n0.750000 0.495592 0.656827 Fe\n0.750000 0.004408 0.156827 Fe\n0.250000 0.995592 0.843173 Fe\n0.250000 0.287094 0.053181 O\n0.750000 0.712906 0.946819 O\n0.750000 0.787094 0.446819 O\n0.250000 0.212906 0.553181 O\n0.250000 0.638079 0.036799 O\n0.750000 0.361921 0.963201 O\n0.750000 0.138079 0.463201 O\n0.250000 0.861921 0.536799 O\n0.250000 0.575883 0.472462 O\n0.750000 0.424117 0.527538 O\n0.750000 0.075883 0.027538 O\n0.250000 0.924117 0.972462 O\n0.998797 0.349815 0.373565 O\n0.001203 0.650185 0.626435 O\n0.001203 0.849815 0.126435 O\n0.498797 0.650185 0.626435 O\n0.998797 0.150185 0.873565 O\n0.501203 0.349815 0.373565 O\n0.501203 0.150185 0.873565 O\n0.498797 0.849815 0.126435 O\n0.250000 0.424426 0.214829 O\n0.750000 0.575574 0.785171 O\n0.750000 0.924426 0.285171 O\n0.250000 0.075574 0.714829 O\n0.004372 0.156629 0.189103 O\n0.995628 0.843371 0.810897 O\n0.995628 0.656629 0.310897 O\n0.504372 0.843371 0.810897 O\n0.004372 0.343371 0.689103 O\n0.495628 0.156629 0.189103 O\n0.495628 0.343371 0.689103 O\n0.504372 0.656629 0.310897 O\n",
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"formula_full": "Tl4 Cr8 Fe4 O32",
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"spacegroup": 62
},
{
"id": "mp-675380",
"created_at": "2022-09-04T14:47:38.687557Z",
"structure_string": "Nb15 Ir1 S32\n1.0\n8.995527 0.000000 0.000000\n-1.334549 8.916337 0.000000\n-3.842974 -4.436277 12.314901\nNb Ir S\n15 1 32\ndirect\n0.013531 0.022566 0.001942 Nb\n0.732103 0.251924 0.998626 Nb\n0.001915 0.473882 0.502613 Nb\n0.374191 0.133762 0.998827 Nb\n0.724640 0.754676 0.499747 Nb\n0.499315 0.490527 0.000026 Nb\n0.140524 0.370656 0.000280 Nb\n0.244778 0.722311 0.998479 Nb\n0.499841 0.030032 0.498642 Nb\n0.861143 0.601278 0.997442 Nb\n0.112839 0.866969 0.502774 Nb\n0.251456 0.250750 0.498586 Nb\n0.884385 0.113105 0.499932 Nb\n0.627316 0.899197 0.000718 Nb\n0.611990 0.395388 0.499242 Nb\n0.397977 0.612234 0.500328 Ir\n0.643987 0.152392 0.131354 S\n0.734303 0.485612 0.380037 S\n0.399734 0.397877 0.132086 S\n0.651230 0.653023 0.635772 S\n0.731054 0.983903 0.874096 S\n0.017640 0.274462 0.124266 S\n0.467537 0.732252 0.376166 S\n0.127390 0.605480 0.388764 S\n0.142315 0.639203 0.125849 S\n0.394528 0.875975 0.608055 S\n0.224964 0.980702 0.374915 S\n0.473441 0.225579 0.866464 S\n0.768169 0.521627 0.131632 S\n0.012720 0.764358 0.620869 S\n0.891550 0.891525 0.115424 S\n0.104915 0.101486 0.866981 S\n0.154239 0.141568 0.625970 S\n0.848926 0.844694 0.372734 S\n0.519256 0.769059 0.121005 S\n0.974345 0.221732 0.369644 S\n0.228623 0.470356 0.867092 S\n0.766593 0.026192 0.626107 S\n0.895522 0.391269 0.625022 S\n0.607745 0.112385 0.376476 S\n0.854864 0.348456 0.874720 S\n0.981984 0.731830 0.883803 S\n0.268703 0.014563 0.120513 S\n0.524560 0.281219 0.630885 S\n0.351637 0.353255 0.367941 S\n0.605421 0.609162 0.879403 S\n0.278959 0.525563 0.623033 S\n0.353480 0.854230 0.878997 S\n",
"nsites": 48,
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"elements": [
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"Ir",
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],
"chemical_system": "Ir-Nb-S",
"density": 4.3909694761855445,
"density_atomic": 0.04859563108562485,
"volume": 987.7431145080644,
"volume_molar": 12.392350146434087,
"formula_full": "Nb15 Ir1 S32",
"formula_reduced": "Nb15IrS32",
"formula_anonymous": "AB15C32",
"energy": -353.70770952,
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"updated_at": "2021-11-28T01:38:17.823000Z",
"spacegroup": 1
},
{
"id": "mp-29543",
"created_at": "2022-09-04T14:45:33.561708Z",
"structure_string": "P16 Se8 O24\n1.0\n6.832561 0.000000 0.000000\n0.000000 11.943771 0.000000\n0.000000 0.072612 12.365883\nP Se O\n16 8 24\ndirect\n0.746159 0.131684 0.924490 P\n0.359132 0.653802 0.479156 P\n0.140868 0.653802 0.979156 P\n0.640868 0.346198 0.520844 P\n0.533254 0.210650 0.115312 P\n0.033254 0.789350 0.384688 P\n0.466746 0.789350 0.884688 P\n0.966746 0.210650 0.615312 P\n0.487848 0.322148 0.904382 P\n0.987848 0.677852 0.595618 P\n0.512152 0.677852 0.095618 P\n0.012152 0.322148 0.404382 P\n0.753841 0.131684 0.424490 P\n0.246159 0.868316 0.575510 P\n0.253841 0.868316 0.075510 P\n0.859132 0.346198 0.020844 P\n0.847576 0.995138 0.842578 Se\n0.347576 0.004862 0.657422 Se\n0.152424 0.004862 0.157422 Se\n0.652424 0.995138 0.342578 Se\n0.295921 0.402916 0.802561 Se\n0.795921 0.597084 0.697439 Se\n0.704079 0.597084 0.197439 Se\n0.204079 0.402916 0.302561 Se\n0.724666 0.296395 0.121533 O\n0.224666 0.703605 0.378467 O\n0.275334 0.703605 0.878467 O\n0.775334 0.296395 0.621533 O\n0.907734 0.225035 0.956375 O\n0.407734 0.774965 0.543625 O\n0.092266 0.774965 0.043625 O\n0.592266 0.225035 0.456375 O\n0.401631 0.279482 0.019196 O\n0.901631 0.720518 0.480804 O\n0.598369 0.720518 0.980804 O\n0.098369 0.279482 0.519196 O\n0.679155 0.393882 0.938503 O\n0.179155 0.606118 0.561497 O\n0.320845 0.606118 0.061497 O\n0.820845 0.393882 0.438503 O\n0.585588 0.207356 0.856189 O\n0.085588 0.792644 0.643811 O\n0.414412 0.792644 0.143811 O\n0.868630 0.109802 0.536971 O\n0.631370 0.109802 0.036971 O\n0.131370 0.890198 0.463029 O\n0.368630 0.890198 0.963029 O\n0.914412 0.207356 0.356189 O\n",
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"elements": [
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],
"chemical_system": "O-P-Se",
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"volume": 1009.1369742422089,
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"formula_full": "P16 Se8 O24",
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"energy": -316.88482515,
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},
{
"id": "mp-1198495",
"created_at": "2022-09-04T14:45:31.279445Z",
"structure_string": "Sr2 H20 Pb4 Br12 O10\n1.0\n6.252638 7.767884 0.000000\n-6.252638 7.767884 0.000000\n0.000000 3.933345 8.578831\nSr H Pb Br O\n2 20 4 12 10\ndirect\n0.979462 0.020538 0.250000 Sr\n0.020538 0.979462 0.750000 Sr\n0.090929 0.333674 0.094277 H\n0.666326 0.909071 0.405723 H\n0.909071 0.666326 0.905723 H\n0.333674 0.090929 0.594277 H\n0.060744 0.298339 0.276083 H\n0.701661 0.939256 0.223917 H\n0.939256 0.701661 0.723917 H\n0.298339 0.060744 0.776083 H\n0.225967 0.895742 0.433388 H\n0.104258 0.774033 0.066612 H\n0.774033 0.104258 0.566612 H\n0.895742 0.225967 0.933388 H\n0.227356 0.059031 0.382369 H\n0.940969 0.772644 0.117631 H\n0.772644 0.940969 0.617631 H\n0.059031 0.227356 0.882369 H\n0.785027 0.324343 0.226614 H\n0.675657 0.214973 0.273386 H\n0.214973 0.675657 0.773386 H\n0.324343 0.785027 0.726614 H\n0.451289 0.266268 0.967244 Pb\n0.733732 0.548711 0.532756 Pb\n0.548711 0.733732 0.032756 Pb\n0.266268 0.451289 0.467244 Pb\n0.432770 0.183753 0.318637 Br\n0.816247 0.567230 0.181363 Br\n0.567230 0.816247 0.681363 Br\n0.183753 0.432770 0.818637 Br\n0.696218 0.435618 0.888064 Br\n0.564382 0.303782 0.611936 Br\n0.303782 0.564382 0.111936 Br\n0.435618 0.696218 0.388064 Br\n0.687641 0.015388 0.969381 Br\n0.984612 0.312359 0.530619 Br\n0.312359 0.984612 0.030619 Br\n0.015388 0.687641 0.469381 Br\n0.090658 0.254238 0.189045 O\n0.745762 0.909342 0.310955 O\n0.909342 0.745762 0.810955 O\n0.254238 0.090658 0.689045 O\n0.160706 0.985690 0.432690 O\n0.014310 0.839294 0.067310 O\n0.839294 0.014310 0.567310 O\n0.985690 0.160706 0.932690 O\n0.777837 0.222163 0.250000 O\n0.222163 0.777837 0.750000 O\n",
"nsites": 48,
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"elements": [
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],
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"volume": 833.3436400798495,
"volume_molar": 10.455234795857564,
"formula_full": "Sr2 H20 Pb4 Br12 O10",
"formula_reduced": "SrH10Pb2Br6O5",
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"energy": -223.69348962,
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"updated_at": "2021-11-28T01:37:10.180000Z",
"spacegroup": 15
},
{
"id": "mp-1176391",
"created_at": "2022-09-04T14:45:31.387289Z",
"structure_string": "Na8 Mn4 P4 C4 O28\n1.0\n6.727737 0.000000 0.000000\n-0.041388 10.214744 0.000000\n-0.021377 -5.103279 9.098598\nNa Mn P C O\n8 4 4 4 28\ndirect\n0.463883 0.989422 0.248146 Na\n0.008281 0.504955 0.746697 Na\n0.494863 0.500193 0.742430 Na\n0.504737 0.508375 0.262521 Na\n0.994563 0.507716 0.262223 Na\n0.505733 0.991636 0.743440 Na\n0.994400 0.990968 0.743299 Na\n0.767096 0.151747 0.083294 Na\n0.757987 0.718830 0.070942 Mn\n0.755453 0.208695 0.560312 Mn\n0.248781 0.788548 0.432430 Mn\n0.251716 0.283996 0.932606 Mn\n0.251463 0.640859 0.060142 P\n0.251699 0.146858 0.568809 P\n0.747825 0.856306 0.434566 P\n0.751027 0.359118 0.938531 P\n0.747614 0.829767 0.901158 C\n0.745427 0.322572 0.394674 C\n0.249594 0.672702 0.596923 C\n0.253155 0.174902 0.099375 C\n0.252427 0.603345 0.667276 O\n0.259409 0.111598 0.174219 O\n0.746618 0.899083 0.046809 O\n0.756458 0.393710 0.540166 O\n0.749142 0.685471 0.838494 O\n0.732407 0.178402 0.334945 O\n0.061848 0.710931 0.037846 O\n0.439087 0.723388 0.051500 O\n0.063910 0.229782 0.563236 O\n0.439811 0.228955 0.559690 O\n0.256063 0.980790 0.437508 O\n0.737554 0.866016 0.292405 O\n0.259843 0.472918 0.928079 O\n0.750375 0.366476 0.794150 O\n0.247889 0.635645 0.206905 O\n0.751819 0.525824 0.073036 O\n0.252637 0.135468 0.712990 O\n0.751305 0.022917 0.570939 O\n0.562349 0.776610 0.452274 O\n0.936047 0.776130 0.445083 O\n0.569046 0.274944 0.954385 O\n0.934204 0.275797 0.953136 O\n0.247995 0.818472 0.654164 O\n0.249578 0.321410 0.150829 O\n0.248120 0.602802 0.450571 O\n0.248721 0.100451 0.952246 O\n0.748437 0.908917 0.837838 O\n0.749504 0.391358 0.320976 O\n",
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"formula_full": "Na8 Mn4 P4 C4 O28",
"formula_reduced": "Na2MnPCO7",
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},
{
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{
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{
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"structure_string": "Li8 Mn2 Fe6 B8 O24\n1.0\n5.237347 0.000000 0.000000\n0.010189 9.059541 0.000000\n0.156987 0.160273 10.413926\nLi Mn Fe B O\n8 2 6 8 24\ndirect\n0.150452 0.174271 0.667577 Li\n0.184989 0.163413 0.167755 Li\n0.321066 0.332873 0.416001 Li\n0.338587 0.326767 0.916059 Li\n0.650742 0.671519 0.666877 Li\n0.685134 0.660399 0.168587 Li\n0.817458 0.830866 0.416056 Li\n0.836638 0.824548 0.916091 Li\n0.330287 0.997692 0.882438 Mn\n0.677798 0.000266 0.135130 Mn\n0.182486 0.498545 0.132439 Fe\n0.155938 0.838930 0.632058 Fe\n0.322200 0.667084 0.382601 Fe\n0.655615 0.340571 0.633482 Fe\n0.838040 0.168229 0.386622 Fe\n0.835229 0.500138 0.884726 Fe\n0.170977 0.828604 0.125548 B\n0.161642 0.501163 0.625639 B\n0.335929 0.997683 0.377166 B\n0.326331 0.663983 0.874352 B\n0.674981 0.332982 0.127307 B\n0.662107 0.000939 0.624970 B\n0.833108 0.497410 0.376225 B\n0.828057 0.168442 0.874653 B\n0.095420 0.484628 0.346978 O\n0.090874 0.179641 0.860883 O\n0.176548 0.787111 0.843678 O\n0.196017 0.872831 0.416030 O\n0.214062 0.132362 0.363305 O\n0.210617 0.532984 0.916941 O\n0.277264 0.363549 0.612227 O\n0.287353 0.964658 0.096769 O\n0.303445 0.628159 0.596967 O\n0.318005 0.708294 0.165482 O\n0.410836 0.320711 0.114063 O\n0.406133 0.010512 0.662758 O\n0.596414 0.986624 0.349091 O\n0.589395 0.671636 0.861131 O\n0.675326 0.291048 0.844952 O\n0.694160 0.373289 0.416754 O\n0.713496 0.632541 0.362103 O\n0.717387 0.035625 0.916659 O\n0.793370 0.467184 0.096454 O\n0.777091 0.862769 0.612466 O\n0.804014 0.128220 0.597438 O\n0.819149 0.212706 0.167775 O\n0.909798 0.814869 0.111220 O\n0.907433 0.510139 0.665122 O\n",
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{
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"structure_string": "Sb8 Cl40\n1.0\n12.934872 0.000000 0.000000\n0.000000 10.138381 0.000000\n0.000000 4.414962 12.698695\nSb Cl\n8 40\ndirect\n0.872812 0.806064 0.704544 Sb\n0.130816 0.616086 0.189028 Sb\n0.372812 0.193936 0.795456 Sb\n0.630816 0.383914 0.310972 Sb\n0.869184 0.383914 0.810972 Sb\n0.627188 0.806064 0.204544 Sb\n0.369184 0.616086 0.689028 Sb\n0.127188 0.193936 0.295456 Sb\n0.009076 0.042960 0.256241 Cl\n0.526054 0.401472 0.163634 Cl\n0.473946 0.598528 0.836366 Cl\n0.475193 0.219196 0.932712 Cl\n0.517353 0.227096 0.427575 Cl\n0.247069 0.769061 0.228157 Cl\n0.734418 0.406163 0.448815 Cl\n0.239803 0.036049 0.411702 Cl\n0.522751 0.592576 0.329869 Cl\n0.022751 0.407424 0.170131 Cl\n0.026054 0.598528 0.336366 Cl\n0.524807 0.780804 0.067288 Cl\n0.752931 0.230939 0.771843 Cl\n0.252931 0.769061 0.728157 Cl\n0.975193 0.780804 0.567288 Cl\n0.260197 0.036049 0.911702 Cl\n0.747069 0.230939 0.271843 Cl\n0.768746 0.788456 0.852144 Cl\n0.236105 0.404399 0.313232 Cl\n0.990924 0.957040 0.743759 Cl\n0.024807 0.219196 0.432712 Cl\n0.268746 0.211544 0.647856 Cl\n0.739803 0.963951 0.088298 Cl\n0.509076 0.957040 0.243759 Cl\n0.736105 0.595601 0.186768 Cl\n0.982647 0.227096 0.927575 Cl\n0.973946 0.401472 0.663634 Cl\n0.234418 0.593837 0.051185 Cl\n0.760197 0.963951 0.588298 Cl\n0.263895 0.404399 0.813232 Cl\n0.477249 0.407424 0.670131 Cl\n0.482647 0.772904 0.572425 Cl\n0.763895 0.595601 0.686768 Cl\n0.977249 0.592576 0.829869 Cl\n0.765582 0.406163 0.948815 Cl\n0.490924 0.042960 0.756241 Cl\n0.231254 0.211544 0.147856 Cl\n0.731254 0.788456 0.352144 Cl\n0.017353 0.772904 0.072425 Cl\n0.265582 0.593837 0.551185 Cl\n",
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{
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"structure_string": "K2 Li2 Tb4 Mo8 O32\n1.0\n6.402976 2.644187 0.000000\n-6.402976 2.644187 0.000000\n0.000000 1.074404 19.610273\nK Li Tb Mo O\n2 2 4 8 32\ndirect\n0.531028 0.468972 0.250000 K\n0.468972 0.531028 0.750000 K\n0.813270 0.186730 0.250000 Li\n0.186730 0.813270 0.750000 Li\n0.647809 0.353998 0.032453 Tb\n0.352191 0.646002 0.967547 Tb\n0.646002 0.352191 0.467547 Tb\n0.353998 0.647809 0.532453 Tb\n0.918844 0.043529 0.091833 Mo\n0.081156 0.956471 0.908167 Mo\n0.956471 0.081156 0.408167 Mo\n0.043529 0.918844 0.591833 Mo\n0.232144 0.747086 0.148133 Mo\n0.767856 0.252914 0.851867 Mo\n0.252914 0.767856 0.351867 Mo\n0.747086 0.232144 0.648133 Mo\n0.667731 0.007125 0.042342 O\n0.332269 0.992875 0.957658 O\n0.992875 0.332269 0.457658 O\n0.007125 0.667731 0.542342 O\n0.489971 0.768371 0.173324 O\n0.510029 0.231629 0.826676 O\n0.231629 0.510029 0.326676 O\n0.768371 0.489971 0.673324 O\n0.722025 0.761176 0.462785 O\n0.277975 0.238824 0.537215 O\n0.238824 0.277975 0.037215 O\n0.761176 0.722025 0.962785 O\n0.436282 0.916350 0.433227 O\n0.563718 0.083650 0.566773 O\n0.083650 0.563718 0.066773 O\n0.916350 0.436282 0.933227 O\n0.800268 0.983201 0.329388 O\n0.199732 0.016799 0.670612 O\n0.016799 0.199732 0.170612 O\n0.983201 0.800268 0.829388 O\n0.721542 0.812848 0.601525 O\n0.278458 0.187152 0.398475 O\n0.187152 0.278458 0.898475 O\n0.812848 0.721542 0.101525 O\n0.399340 0.097625 0.132231 O\n0.600660 0.902375 0.867769 O\n0.902375 0.600660 0.367769 O\n0.097625 0.399340 0.632231 O\n0.435343 0.028473 0.286123 O\n0.564657 0.971527 0.713877 O\n0.971527 0.564657 0.213877 O\n0.028473 0.435343 0.786123 O\n",
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{
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"structure_string": "Cu12 Te4 Pb4 O28\n1.0\n0.000000 6.420676 0.000000\n0.000000 0.000000 8.897754\n10.666543 0.000000 0.000000\nCu Te Pb O\n12 4 4 28\ndirect\n0.009080 0.876076 0.888218 Cu\n0.490920 0.623924 0.388218 Cu\n0.509080 0.123924 0.111782 Cu\n0.990920 0.376076 0.611782 Cu\n0.990920 0.123924 0.111782 Cu\n0.509080 0.376076 0.611782 Cu\n0.490920 0.876076 0.888218 Cu\n0.009080 0.623924 0.388218 Cu\n0.250000 0.594755 0.747076 Cu\n0.250000 0.905245 0.247076 Cu\n0.750000 0.405245 0.252924 Cu\n0.750000 0.094755 0.752924 Cu\n0.250000 0.202386 0.885300 Te\n0.250000 0.297614 0.385300 Te\n0.750000 0.797614 0.114700 Te\n0.750000 0.702386 0.614700 Te\n0.250000 0.954613 0.607165 Pb\n0.250000 0.545387 0.107165 Pb\n0.750000 0.045387 0.392835 Pb\n0.750000 0.454613 0.892835 Pb\n0.250000 0.360770 0.764667 O\n0.250000 0.139230 0.264667 O\n0.750000 0.639230 0.235333 O\n0.750000 0.860770 0.735333 O\n0.250000 0.798425 0.797525 O\n0.250000 0.701575 0.297525 O\n0.750000 0.201575 0.202475 O\n0.750000 0.298425 0.702475 O\n0.250000 0.045075 0.018809 O\n0.250000 0.454925 0.518809 O\n0.750000 0.954925 0.981191 O\n0.750000 0.545075 0.481191 O\n0.955582 0.572849 0.709369 O\n0.544418 0.927151 0.209369 O\n0.455582 0.427151 0.290631 O\n0.044418 0.072849 0.790631 O\n0.044418 0.427151 0.290631 O\n0.455582 0.072849 0.790631 O\n0.544418 0.572849 0.709369 O\n0.955582 0.927151 0.209369 O\n0.972683 0.710342 0.012445 O\n0.527317 0.789658 0.512445 O\n0.472683 0.289658 0.987555 O\n0.027317 0.210342 0.487555 O\n0.027317 0.289658 0.987555 O\n0.472683 0.210342 0.487555 O\n0.527317 0.710342 0.012445 O\n0.972683 0.789658 0.512445 O\n",
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]
}