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{
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{
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},
{
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"spacegroup": 221
},
{
"id": "mp-1253743",
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"structure_string": "Ca4 Ti2 Al2 O10\n1.0\n-2.715040 2.859934 7.249263\n2.715040 -2.859934 7.249263\n2.715040 2.859934 -7.249263\nCa Ti Al O\n4 2 2 10\ndirect\n0.423175 0.899568 0.543600 Ca\n0.144032 0.620425 0.543600 Ca\n0.576825 0.120425 0.476394 Ca\n0.855968 0.399568 0.476394 Ca\n0.500000 0.497836 0.997836 Ti\n0.000000 0.997836 0.997836 Ti\n0.826649 0.788101 0.114750 Al\n0.173351 0.288101 0.961452 Al\n0.899430 0.116460 0.515889 O\n0.100570 0.616460 0.217030 O\n0.424667 0.324191 0.043450 O\n0.575333 0.618783 0.899524 O\n0.780742 0.824191 0.899524 O\n0.219258 0.118783 0.043450 O\n0.769259 0.266849 0.010216 O\n0.230741 0.240957 0.497590 O\n0.243367 0.740957 0.010216 O\n0.756633 0.766849 0.497590 O\n",
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{
"id": "mp-976600",
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"structure_string": "Li1 Hf2 Tc1\n1.0\n0.000000 3.278953 3.278953\n3.278953 0.000000 3.278953\n3.278953 3.278953 0.000000\nLi Hf Tc\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.000000 0.000000 0.000000 Tc\n",
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{
"id": "mp-1247867",
"created_at": "2022-09-04T14:40:56.698803Z",
"structure_string": "Ba22 W8 O46\n1.0\n10.768023 0.077933 6.419413\n3.757500 10.375970 6.259962\n0.146858 -0.086682 12.587305\nBa W O\n22 8 46\ndirect\n0.234719 0.207891 0.243786 Ba\n0.139113 0.158128 0.601304 Ba\n0.139261 0.599577 0.156246 Ba\n0.601222 0.165145 0.144386 Ba\n0.354986 0.389819 0.377350 Ba\n0.129569 0.577589 0.632838 Ba\n0.196384 0.800822 0.298166 Ba\n0.246246 0.227515 0.790243 Ba\n0.067160 0.796724 0.778985 Ba\n0.628283 0.152623 0.547635 Ba\n0.620811 0.557890 0.156618 Ba\n0.348014 0.439655 0.867996 Ba\n0.366719 0.832617 0.455579 Ba\n0.989714 0.173158 0.176575 Ba\n0.733769 0.759421 0.227116 Ba\n0.851926 0.400191 0.379421 Ba\n0.749611 0.186436 0.757656 Ba\n0.627977 0.591981 0.639452 Ba\n0.379825 0.838424 0.844966 Ba\n0.831473 0.860844 0.387649 Ba\n0.845702 0.384969 0.859459 Ba\n0.766726 0.788023 0.742713 Ba\n0.977359 0.005780 0.012806 W\n0.455894 0.998336 0.017821 W\n0.484618 0.000148 0.502202 W\n0.487779 0.504446 0.005192 W\n0.481341 0.498374 0.515487 W\n0.986898 0.502629 0.004053 W\n0.987955 0.499394 0.503511 W\n0.966516 0.024375 0.511049 W\n0.119169 0.383930 0.392182 O\n0.505386 0.129616 0.979012 O\n0.084248 0.385708 0.630429 O\n0.108102 0.599890 0.406368 O\n0.368287 0.399582 0.103578 O\n0.376121 0.102288 0.389454 O\n0.362558 0.618123 0.117454 O\n0.371560 0.124285 0.603217 O\n0.579480 0.386362 0.131100 O\n0.602681 0.100495 0.378619 O\n0.384204 0.378746 0.595663 O\n0.384237 0.608021 0.391900 O\n0.331537 0.609502 0.632346 O\n0.617568 0.400556 0.394220 O\n0.097970 0.899154 0.911020 O\n0.513018 0.859555 0.145852 O\n0.562251 0.401398 0.648091 O\n0.583688 0.613961 0.433322 O\n0.357878 0.905774 0.624615 O\n0.391313 0.616918 0.882214 O\n0.882095 0.410184 0.033018 O\n0.886598 0.021381 0.412428 O\n0.808384 0.980996 0.695109 O\n0.810765 0.191451 0.535413 O\n0.828864 0.581549 0.134563 O\n0.026914 0.028617 0.624031 O\n0.058577 0.365164 0.135948 O\n0.020473 0.173798 0.363114 O\n0.087770 0.595464 0.983268 O\n0.607772 0.394701 0.891267 O\n0.591489 0.873565 0.407199 O\n0.275680 0.058637 0.075034 O\n0.603587 0.607312 0.910445 O\n0.592818 0.897003 0.612493 O\n0.896716 0.610396 0.375798 O\n0.873942 0.393772 0.602036 O\n0.845044 0.138057 0.937671 O\n0.837307 0.933969 0.139011 O\n0.509623 0.955084 0.875394 O\n0.862517 0.613165 0.611853 O\n0.035899 0.936948 0.154187 O\n0.050578 0.138519 0.938775 O\n0.936431 0.642453 0.857656 O\n0.021874 0.825420 0.573192 O\n0.143751 0.416784 0.872866 O\n0.167306 0.954828 0.389118 O\n",
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"formula_full": "Ba22 W8 O46",
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{
"id": "mp-1217268",
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"structure_string": "Tm16 Pb8 S32\n1.0\n3.941896 -14.263205 0.000000\n3.941896 14.263205 0.000000\n0.000000 0.000000 12.077418\nTm Pb S\n16 8 32\ndirect\n0.068285 0.931715 0.911948 Tm\n0.931715 0.068285 0.411948 Tm\n0.568838 0.431162 0.919864 Tm\n0.431162 0.568838 0.419864 Tm\n0.430209 0.069788 0.787405 Tm\n0.930212 0.569791 0.787405 Tm\n0.569791 0.930212 0.287405 Tm\n0.069788 0.430209 0.287405 Tm\n0.326806 0.172165 0.266703 Tm\n0.827835 0.673194 0.266703 Tm\n0.673194 0.827835 0.766703 Tm\n0.172165 0.326806 0.766703 Tm\n0.674307 0.325693 0.433008 Tm\n0.325693 0.674307 0.933008 Tm\n0.175126 0.824874 0.429862 Tm\n0.824874 0.175126 0.929862 Tm\n0.537965 0.462035 0.619739 Pb\n0.462035 0.537965 0.119739 Pb\n0.047123 0.952877 0.563640 Pb\n0.952877 0.047123 0.063640 Pb\n0.462173 0.040886 0.096466 Pb\n0.959114 0.537827 0.096466 Pb\n0.537827 0.959114 0.596466 Pb\n0.040886 0.462173 0.596466 Pb\n0.516608 0.483392 0.317939 S\n0.483392 0.516608 0.817939 S\n0.708174 0.291826 0.645555 S\n0.291826 0.708174 0.145555 S\n0.161964 0.838036 0.936464 S\n0.838036 0.161964 0.436464 S\n0.662836 0.337164 0.938498 S\n0.337164 0.662836 0.438498 S\n0.361091 0.136716 0.475809 S\n0.863284 0.638909 0.475809 S\n0.638909 0.863284 0.975809 S\n0.136716 0.361091 0.975809 S\n0.208571 0.791429 0.644953 S\n0.791429 0.208571 0.144953 S\n0.486209 0.017107 0.384169 S\n0.982893 0.513791 0.384169 S\n0.513791 0.982893 0.884169 S\n0.017107 0.486209 0.884169 S\n0.639886 0.360114 0.225414 S\n0.360114 0.639886 0.725414 S\n0.288297 0.206711 0.058023 S\n0.793289 0.711703 0.058023 S\n0.711703 0.793289 0.558023 S\n0.206711 0.288297 0.558023 S\n0.019952 0.980048 0.333981 S\n0.980048 0.019952 0.833981 S\n0.339710 0.165654 0.767481 S\n0.834346 0.660290 0.767481 S\n0.660290 0.834346 0.267481 S\n0.165654 0.339710 0.267481 S\n0.140304 0.859696 0.222822 S\n0.859696 0.140304 0.722822 S\n",
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{
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{
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"structure_string": "Sr2 Ca2 Mn4 O12\n1.0\n5.429536 0.000000 0.000000\n0.000000 5.467739 0.000000\n0.000000 0.000000 7.682993\nSr Ca Mn O\n2 2 4 12\ndirect\n0.011549 0.245891 0.500000 Sr\n0.511549 0.754109 0.500000 Sr\n0.994227 0.249500 0.000000 Ca\n0.494227 0.750500 0.000000 Ca\n0.501332 0.250409 0.754309 Mn\n0.001332 0.749591 0.245691 Mn\n0.501332 0.250409 0.245691 Mn\n0.001332 0.749591 0.754309 Mn\n0.229417 0.480719 0.785246 O\n0.729417 0.519281 0.214754 O\n0.768844 0.020026 0.267414 O\n0.268844 0.979974 0.732586 O\n0.768844 0.020026 0.732586 O\n0.268844 0.979974 0.267414 O\n0.229417 0.480719 0.214754 O\n0.729417 0.519281 0.785246 O\n0.497950 0.187991 0.000000 O\n0.997950 0.812009 0.000000 O\n0.497090 0.291779 0.500000 O\n0.997090 0.708221 0.500000 O\n",
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]
}