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{
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{
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"structure_string": "Tm6 Ni14 B4\n1.0\n2.514135 -4.354610 0.000000\n2.514135 4.354610 0.000000\n0.000000 0.000000 14.234629\nTm Ni B\n6 14 4\ndirect\n0.333333 0.666667 0.532418 Tm\n0.666667 0.333333 0.032418 Tm\n0.666667 0.333333 0.467582 Tm\n0.333333 0.666667 0.967582 Tm\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.165816 0.331632 0.148099 Ni\n0.834184 0.668368 0.648099 Ni\n0.668368 0.834184 0.148099 Ni\n0.165816 0.834184 0.148099 Ni\n0.834184 0.165816 0.648099 Ni\n0.331632 0.165816 0.648099 Ni\n0.834184 0.668368 0.851901 Ni\n0.834184 0.165816 0.851901 Ni\n0.331632 0.165816 0.851901 Ni\n0.668368 0.834184 0.351901 Ni\n0.165816 0.834184 0.351901 Ni\n0.165816 0.331632 0.351901 Ni\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.750000 B\n0.000000 0.000000 0.250000 B\n0.000000 0.000000 0.750000 B\n",
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{
"id": "mp-558673",
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"structure_string": "Pb6 W2 Cl4 O10\n1.0\n2.862115 -6.639368 0.000000\n2.862115 6.639368 0.000000\n0.000000 0.000000 11.279353\nPb W Cl O\n6 2 4 10\ndirect\n0.903335 0.096665 0.750000 Pb\n0.653505 0.346495 0.532265 Pb\n0.346495 0.653505 0.467735 Pb\n0.653505 0.346495 0.967735 Pb\n0.346495 0.653505 0.032265 Pb\n0.096665 0.903335 0.250000 Pb\n0.763182 0.236818 0.250000 W\n0.236818 0.763182 0.750000 W\n0.526470 0.473530 0.250000 Cl\n0.473530 0.526470 0.750000 Cl\n0.000000 0.000000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.104734 0.895266 0.750000 O\n0.037856 0.495821 0.630309 O\n0.495821 0.037856 0.369691 O\n0.504179 0.962144 0.630309 O\n0.962144 0.504179 0.369691 O\n0.895266 0.104734 0.250000 O\n0.037856 0.495821 0.869691 O\n0.504179 0.962144 0.869691 O\n0.962144 0.504179 0.130309 O\n0.495821 0.037856 0.130309 O\n",
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"formula_full": "Pb6 W2 Cl4 O10",
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},
{
"id": "mp-8074",
"created_at": "2022-09-04T14:40:43.647943Z",
"structure_string": "Ta1 Sn1 O3\n1.0\n4.072593 0.000000 0.000000\n0.000000 4.072593 0.000000\n0.000000 0.000000 4.072593\nTa Sn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Sn\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Ta1 Sn1 O3",
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"spacegroup": 221
},
{
"id": "mp-1196889",
"created_at": "2022-09-04T14:40:43.671982Z",
"structure_string": "Mg12 B44 O96\n1.0\n9.226541 0.000000 0.000000\n0.000000 10.743723 0.000000\n0.000000 0.000000 16.556324\nMg B O\n12 44 96\ndirect\n0.562285 0.750000 0.000000 Mg\n0.937715 0.250000 0.500000 Mg\n0.437715 0.250000 0.000000 Mg\n0.062285 0.750000 0.500000 Mg\n0.940503 0.913274 0.167706 Mg\n0.559497 0.413274 0.332294 Mg\n0.559497 0.086726 0.667706 Mg\n0.940503 0.586726 0.832294 Mg\n0.059497 0.086726 0.832294 Mg\n0.440503 0.586726 0.667706 Mg\n0.440503 0.913274 0.332294 Mg\n0.059497 0.413274 0.167706 Mg\n0.860195 0.750000 0.000000 B\n0.639805 0.250000 0.500000 B\n0.139805 0.250000 0.000000 B\n0.360195 0.750000 0.500000 B\n0.813876 0.569356 0.086951 B\n0.686124 0.069356 0.413049 B\n0.686124 0.430644 0.586951 B\n0.813876 0.930644 0.913049 B\n0.186124 0.430644 0.913049 B\n0.313876 0.930644 0.586951 B\n0.313876 0.569356 0.413049 B\n0.186124 0.069356 0.086951 B\n0.042707 0.698794 0.104159 B\n0.457293 0.198794 0.395841 B\n0.457293 0.301206 0.604159 B\n0.042707 0.801206 0.895841 B\n0.957293 0.301206 0.895841 B\n0.542707 0.801206 0.604159 B\n0.542707 0.698794 0.395841 B\n0.957293 0.198794 0.104159 B\n0.298989 0.621894 0.102203 B\n0.201011 0.121894 0.397797 B\n0.201011 0.378106 0.602203 B\n0.298989 0.878106 0.897797 B\n0.701011 0.378106 0.897797 B\n0.798989 0.878106 0.602203 B\n0.798989 0.621894 0.397797 B\n0.701011 0.121894 0.102203 B\n0.221985 0.761830 0.210840 B\n0.278015 0.261830 0.289160 B\n0.278015 0.238170 0.710840 B\n0.221985 0.738170 0.789160 B\n0.778015 0.238170 0.789160 B\n0.721985 0.738170 0.710840 B\n0.721985 0.761830 0.289160 B\n0.778015 0.261830 0.210840 B\n0.643341 0.908147 0.176413 B\n0.856659 0.408147 0.323587 B\n0.856659 0.091853 0.676413 B\n0.643341 0.591853 0.823587 B\n0.356659 0.091853 0.823587 B\n0.143341 0.591853 0.676413 B\n0.143341 0.908147 0.323587 B\n0.356659 0.408147 0.176413 B\n0.950357 0.792167 0.067201 O\n0.549643 0.292167 0.432799 O\n0.549643 0.207833 0.567201 O\n0.950357 0.707833 0.932799 O\n0.049643 0.207833 0.932799 O\n0.450357 0.707833 0.567201 O\n0.450357 0.792167 0.432799 O\n0.049643 0.292167 0.067201 O\n0.759790 0.650934 0.030329 O\n0.740210 0.150934 0.469671 O\n0.740210 0.349066 0.530329 O\n0.759790 0.849066 0.969671 O\n0.240210 0.349066 0.969671 O\n0.259790 0.849066 0.530329 O\n0.259790 0.650934 0.469671 O\n0.240210 0.150934 0.030329 O\n0.736858 0.479343 0.124895 O\n0.763142 0.979343 0.375105 O\n0.763142 0.520657 0.624895 O\n0.736858 0.020657 0.875105 O\n0.263142 0.520657 0.875105 O\n0.236858 0.020657 0.624895 O\n0.236858 0.479343 0.375105 O\n0.263142 0.979343 0.124895 O\n0.958657 0.575643 0.114411 O\n0.541343 0.075643 0.385589 O\n0.541343 0.424357 0.614411 O\n0.958657 0.924357 0.885589 O\n0.041343 0.424357 0.885589 O\n0.458657 0.924357 0.614411 O\n0.458657 0.575643 0.385589 O\n0.041343 0.075643 0.114411 O\n0.080611 0.754657 0.182717 O\n0.419389 0.254657 0.317283 O\n0.419389 0.245343 0.682717 O\n0.080611 0.745343 0.817283 O\n0.919389 0.245343 0.817283 O\n0.580611 0.745343 0.682717 O\n0.580611 0.754657 0.317283 O\n0.919389 0.254657 0.182717 O\n0.168195 0.659941 0.057068 O\n0.331805 0.159941 0.442932 O\n0.331805 0.340059 0.557068 O\n0.168195 0.840059 0.942932 O\n0.831805 0.340059 0.942932 O\n0.668195 0.840059 0.557068 O\n0.668195 0.659941 0.442932 O\n0.831805 0.159941 0.057068 O\n0.418190 0.627017 0.046134 O\n0.081810 0.127017 0.453866 O\n0.081810 0.372983 0.546134 O\n0.418190 0.872983 0.953866 O\n0.581810 0.372983 0.953866 O\n0.918190 0.872983 0.546134 O\n0.918190 0.627017 0.453866 O\n0.581810 0.127017 0.046134 O\n0.261062 0.495220 0.132359 O\n0.238938 0.995220 0.367641 O\n0.238938 0.504780 0.632359 O\n0.261062 0.004780 0.867641 O\n0.738938 0.504780 0.867641 O\n0.761062 0.004780 0.632359 O\n0.761062 0.495220 0.367641 O\n0.738938 0.995220 0.132359 O\n0.330671 0.698074 0.173700 O\n0.169329 0.198074 0.326300 O\n0.169329 0.301926 0.673700 O\n0.330671 0.801926 0.826300 O\n0.669329 0.301926 0.826300 O\n0.830671 0.801926 0.673700 O\n0.830671 0.698074 0.326300 O\n0.669329 0.198074 0.173700 O\n0.251751 0.829668 0.279762 O\n0.248249 0.329668 0.220238 O\n0.248249 0.170332 0.779762 O\n0.251751 0.670332 0.720238 O\n0.748249 0.170332 0.720238 O\n0.751751 0.670332 0.779762 O\n0.751751 0.829668 0.220238 O\n0.748249 0.329668 0.279762 O\n0.033710 0.962982 0.275288 O\n0.466290 0.462982 0.224712 O\n0.466290 0.037018 0.775288 O\n0.033710 0.537018 0.724712 O\n0.966290 0.037018 0.724712 O\n0.533710 0.537018 0.775288 O\n0.533710 0.962982 0.224712 O\n0.966290 0.462982 0.275288 O\n0.066950 0.843820 0.386993 O\n0.433050 0.343820 0.113007 O\n0.433050 0.156180 0.886993 O\n0.066950 0.656180 0.613007 O\n0.933050 0.156180 0.613007 O\n0.566950 0.656180 0.886993 O\n0.566950 0.843820 0.113007 O\n0.933050 0.343820 0.386993 O\n",
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{
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"structure_string": "Cu16 B80\n1.0\n5.556132 0.000000 0.000000\n0.000000 11.696009 0.000000\n0.000000 0.000000 13.399524\nCu B\n16 80\ndirect\n0.761717 0.801861 0.265047 Cu\n0.261717 0.198139 0.234953 Cu\n0.238283 0.698139 0.765047 Cu\n0.738283 0.301861 0.734953 Cu\n0.238283 0.198139 0.734953 Cu\n0.738283 0.801861 0.765047 Cu\n0.761717 0.301861 0.234953 Cu\n0.261717 0.698139 0.265047 Cu\n0.750556 0.812861 0.954682 Cu\n0.250556 0.187139 0.545318 Cu\n0.249444 0.687139 0.454682 Cu\n0.749444 0.312861 0.045318 Cu\n0.249444 0.187139 0.045318 Cu\n0.749444 0.812861 0.454682 Cu\n0.750556 0.312861 0.545318 Cu\n0.250556 0.687139 0.954682 Cu\n0.554916 0.945264 0.076025 B\n0.054916 0.054736 0.423975 B\n0.445084 0.554736 0.576025 B\n0.945084 0.445264 0.923975 B\n0.445084 0.054736 0.923975 B\n0.945084 0.945264 0.576025 B\n0.554916 0.445264 0.423975 B\n0.054916 0.554736 0.076025 B\n0.853105 0.959848 0.022330 B\n0.353105 0.040152 0.477670 B\n0.146895 0.540152 0.522330 B\n0.646895 0.459848 0.977670 B\n0.146895 0.040152 0.977670 B\n0.646895 0.959848 0.522330 B\n0.853105 0.459848 0.477670 B\n0.353105 0.540152 0.022330 B\n0.482749 0.083298 0.130796 B\n0.982749 0.916702 0.369204 B\n0.517251 0.416702 0.630796 B\n0.017251 0.583298 0.869204 B\n0.517251 0.916702 0.869204 B\n0.017251 0.083298 0.630796 B\n0.482749 0.583298 0.369204 B\n0.982749 0.416702 0.130796 B\n0.597961 0.969585 0.205393 B\n0.097961 0.030415 0.294607 B\n0.402039 0.530415 0.705393 B\n0.902039 0.469585 0.794607 B\n0.402039 0.030415 0.794607 B\n0.902039 0.969585 0.705393 B\n0.597961 0.469585 0.294607 B\n0.097961 0.530415 0.205393 B\n0.868495 0.925839 0.149050 B\n0.368495 0.074161 0.350950 B\n0.131505 0.574161 0.649050 B\n0.631505 0.425839 0.850950 B\n0.131505 0.074161 0.850950 B\n0.631505 0.925839 0.649050 B\n0.868495 0.425839 0.350950 B\n0.368495 0.574161 0.149050 B\n0.747250 0.168946 0.129290 B\n0.247250 0.831054 0.370710 B\n0.252750 0.331054 0.629290 B\n0.752750 0.668946 0.870710 B\n0.252750 0.831054 0.870710 B\n0.752750 0.168946 0.629290 B\n0.747250 0.668946 0.370710 B\n0.247250 0.331054 0.129290 B\n0.598441 0.117936 0.244098 B\n0.098441 0.882064 0.255902 B\n0.401559 0.382064 0.744098 B\n0.901559 0.617936 0.755902 B\n0.401559 0.882064 0.755902 B\n0.901559 0.117936 0.744098 B\n0.598441 0.617936 0.255902 B\n0.098441 0.382064 0.244098 B\n0.882676 0.065857 0.211123 B\n0.382676 0.934143 0.288877 B\n0.117324 0.434143 0.711123 B\n0.617324 0.565857 0.788877 B\n0.117324 0.934143 0.788877 B\n0.617324 0.065857 0.711123 B\n0.882676 0.565857 0.288877 B\n0.382676 0.434143 0.211123 B\n0.959707 0.074591 0.082400 B\n0.459707 0.925409 0.417600 B\n0.040293 0.425409 0.582400 B\n0.540293 0.574591 0.917600 B\n0.040293 0.925409 0.917600 B\n0.540293 0.074591 0.582400 B\n0.959707 0.574591 0.417600 B\n0.459707 0.425409 0.082400 B\n0.647714 0.085787 0.022567 B\n0.147714 0.914213 0.477433 B\n0.352286 0.414213 0.522567 B\n0.852286 0.585787 0.977433 B\n0.352286 0.914213 0.977433 B\n0.852286 0.085787 0.522567 B\n0.647714 0.585787 0.477433 B\n0.147714 0.414213 0.022567 B\n",
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