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{
"id": "mp-1214540",
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"structure_string": "Ba10 Yb4 Zr2 Al4 O26\n1.0\n3.008961 -5.211673 0.000000\n3.008961 5.211673 0.000000\n0.000000 0.000000 25.457623\nBa Yb Zr Al O\n10 4 2 4 26\ndirect\n0.333333 0.666667 0.541893 Ba\n0.666667 0.333333 0.458107 Ba\n0.666667 0.333333 0.041893 Ba\n0.333333 0.666667 0.958107 Ba\n0.000000 0.000000 0.137041 Ba\n0.000000 0.000000 0.862959 Ba\n0.000000 0.000000 0.637041 Ba\n0.000000 0.000000 0.362959 Ba\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.333333 0.666667 0.106210 Yb\n0.666667 0.333333 0.893790 Yb\n0.666667 0.333333 0.606210 Yb\n0.333333 0.666667 0.393790 Yb\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.333333 0.666667 0.681860 Al\n0.666667 0.333333 0.318140 Al\n0.666667 0.333333 0.181860 Al\n0.333333 0.666667 0.818140 Al\n0.505845 0.011689 0.160227 O\n0.494155 0.988311 0.839773 O\n0.988311 0.494155 0.160227 O\n0.494155 0.988311 0.660227 O\n0.011689 0.505845 0.839773 O\n0.505845 0.011689 0.339773 O\n0.505845 0.494155 0.160227 O\n0.011689 0.505845 0.660227 O\n0.494155 0.505845 0.839773 O\n0.988311 0.494155 0.339773 O\n0.494155 0.505845 0.660227 O\n0.505845 0.494155 0.339773 O\n0.162185 0.324370 0.049465 O\n0.837815 0.675630 0.950535 O\n0.675630 0.837815 0.049465 O\n0.837815 0.675630 0.549465 O\n0.324370 0.162185 0.950535 O\n0.162185 0.324370 0.450535 O\n0.162185 0.837815 0.049465 O\n0.324370 0.162185 0.549465 O\n0.837815 0.162185 0.950535 O\n0.675630 0.837815 0.450535 O\n0.837815 0.162185 0.549465 O\n0.162185 0.837815 0.450535 O\n0.333333 0.666667 0.750000 O\n0.666667 0.333333 0.250000 O\n",
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{
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"structure_string": "Rb4 Ga4 Cl16\n1.0\n7.279300 0.000000 0.000000\n0.000000 9.588699 0.000000\n0.000000 0.000000 11.439479\nRb Ga Cl\n4 4 16\ndirect\n0.750000 0.827079 0.682262 Rb\n0.250000 0.172921 0.317738 Rb\n0.250000 0.327079 0.817738 Rb\n0.750000 0.672921 0.182262 Rb\n0.250000 0.811215 0.932681 Ga\n0.750000 0.188785 0.067319 Ga\n0.750000 0.311215 0.567319 Ga\n0.250000 0.688785 0.432681 Ga\n0.250000 0.921313 0.100482 Cl\n0.750000 0.078687 0.899518 Cl\n0.750000 0.421313 0.399518 Cl\n0.250000 0.578687 0.600482 Cl\n0.250000 0.953751 0.782347 Cl\n0.750000 0.046249 0.217653 Cl\n0.750000 0.453751 0.717653 Cl\n0.250000 0.546249 0.282347 Cl\n0.495181 0.824418 0.421186 Cl\n0.995181 0.175582 0.578814 Cl\n0.504819 0.324418 0.078814 Cl\n0.004819 0.675582 0.921186 Cl\n0.504819 0.175582 0.578814 Cl\n0.004819 0.824418 0.421186 Cl\n0.495181 0.675582 0.921186 Cl\n0.995181 0.324418 0.078814 Cl\n",
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"elements": [
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],
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"formula_full": "Rb4 Ga4 Cl16",
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},
{
"id": "mp-14328",
"created_at": "2022-09-04T14:46:56.392505Z",
"structure_string": "Pr12 Ge4 P4 O36\n1.0\n12.615083 0.000000 0.000000\n0.000000 7.134409 0.000000\n0.000000 4.313368 8.871806\nPr Ge P O\n12 4 4 36\ndirect\n0.390286 0.635427 0.375182 Pr\n0.890286 0.364573 0.124818 Pr\n0.609714 0.364573 0.624818 Pr\n0.109714 0.635427 0.875182 Pr\n0.129005 0.387933 0.355885 Pr\n0.629005 0.612067 0.144115 Pr\n0.870995 0.612067 0.644115 Pr\n0.370995 0.387933 0.855885 Pr\n0.366561 0.038386 0.629334 Pr\n0.866561 0.961614 0.870666 Pr\n0.633439 0.961614 0.370666 Pr\n0.133439 0.038386 0.129333 Pr\n0.602575 0.804445 0.735474 Ge\n0.102575 0.195555 0.764526 Ge\n0.397425 0.195555 0.264526 Ge\n0.897425 0.804445 0.235474 Ge\n0.336621 0.778732 0.022862 P\n0.836621 0.221268 0.477138 P\n0.663379 0.221268 0.977138 P\n0.163379 0.778732 0.522862 P\n0.174361 0.176627 0.619438 O\n0.674361 0.823373 0.880562 O\n0.825639 0.823373 0.380562 O\n0.325639 0.176627 0.119438 O\n0.425019 0.937849 0.411557 O\n0.925019 0.062151 0.088443 O\n0.574981 0.062151 0.588443 O\n0.074981 0.937849 0.911557 O\n0.421522 0.371054 0.623504 O\n0.921522 0.628946 0.876496 O\n0.578478 0.628946 0.376496 O\n0.078478 0.371054 0.123504 O\n0.326023 0.312610 0.365991 O\n0.826023 0.687390 0.134009 O\n0.673977 0.687390 0.634009 O\n0.173977 0.312610 0.865991 O\n0.343427 0.001434 0.892101 O\n0.843427 0.998566 0.607899 O\n0.656573 0.998566 0.107899 O\n0.156573 0.001434 0.392101 O\n0.055644 0.713216 0.606647 O\n0.555644 0.286784 0.893353 O\n0.944356 0.286784 0.393353 O\n0.444356 0.713216 0.106647 O\n0.256551 0.760816 0.150111 O\n0.756551 0.239184 0.349889 O\n0.743449 0.239184 0.849889 O\n0.243449 0.760816 0.650111 O\n0.296195 0.628484 0.959011 O\n0.796195 0.371516 0.540989 O\n0.703805 0.371516 0.040989 O\n0.203805 0.628484 0.459011 O\n0.028848 0.710226 0.272862 O\n0.528848 0.289774 0.227138 O\n0.971152 0.289774 0.727138 O\n0.471152 0.710226 0.772862 O\n",
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"formula_full": "Pr12 Ge4 P4 O36",
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},
{
"id": "mp-1096183",
"created_at": "2022-09-04T14:43:40.710720Z",
"structure_string": "Zr2 Ir1 Rh1\n1.0\n-4.730370 5.464404 7.722857\n4.730370 -5.464404 7.722857\n4.730370 5.464404 -7.722857\nZr Ir Rh\n2 1 1\ndirect\n0.000000 0.249629 0.249629 Zr\n0.000000 0.750371 0.750371 Zr\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "mp-530879",
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"structure_string": "Ba12 Ti12 O27\n1.0\n4.009588 5.757594 0.000000\n-4.009588 5.757594 0.000000\n0.000000 0.488133 17.295755\nBa Ti O\n12 12 27\ndirect\n0.877595 0.374419 0.582380 Ba\n0.374419 0.877595 0.582380 Ba\n0.120450 0.626647 0.750901 Ba\n0.873898 0.378885 0.915850 Ba\n0.621115 0.126102 0.084150 Ba\n0.373353 0.879550 0.249099 Ba\n0.122405 0.625581 0.417620 Ba\n0.626647 0.120450 0.750901 Ba\n0.378885 0.873898 0.915850 Ba\n0.126102 0.621115 0.084150 Ba\n0.879550 0.373353 0.249099 Ba\n0.625581 0.122405 0.417620 Ba\n0.615544 0.615544 0.745278 Ti\n0.375301 0.375301 0.917535 Ti\n0.116271 0.116271 0.078126 Ti\n0.873773 0.873773 0.250068 Ti\n0.616029 0.616029 0.412036 Ti\n0.126227 0.126227 0.749932 Ti\n0.384456 0.384456 0.254722 Ti\n0.883729 0.883729 0.921874 Ti\n0.624699 0.624699 0.082465 Ti\n0.126489 0.126489 0.416886 Ti\n0.873511 0.873511 0.583114 Ti\n0.383971 0.383971 0.587964 Ti\n0.120414 0.624332 0.581723 O\n0.878158 0.377275 0.752299 O\n0.620598 0.124013 0.914876 O\n0.379402 0.875987 0.085124 O\n0.753364 0.753364 0.667968 O\n0.502414 0.502414 0.835770 O\n0.002114 0.002114 0.168925 O\n0.753771 0.753771 0.334113 O\n0.253199 0.253199 0.001424 O\n0.500000 0.500000 0.500000 O\n0.498946 0.498946 0.667478 O\n0.000000 0.000000 0.000000 O\n0.624332 0.120414 0.581723 O\n0.375668 0.879586 0.418277 O\n0.377275 0.878158 0.752299 O\n0.124013 0.620598 0.914876 O\n0.875987 0.379402 0.085124 O\n0.622725 0.121842 0.247701 O\n0.246229 0.246229 0.665887 O\n0.997886 0.997886 0.831075 O\n0.497586 0.497586 0.164230 O\n0.246636 0.246636 0.332032 O\n0.746801 0.746801 0.998576 O\n0.000000 0.000000 0.500000 O\n0.121842 0.622725 0.247701 O\n0.879586 0.375668 0.418277 O\n0.501054 0.501054 0.332522 O\n",
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{
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"structure_string": "Cu4 H4 S4 N16 O16\n1.0\n8.338117 0.000000 0.000000\n0.000000 9.192986 0.000000\n0.000000 0.000000 10.418699\nCu H S N O\n4 4 4 16 16\ndirect\n0.250000 0.628949 0.046894 Cu\n0.750000 0.371051 0.953106 Cu\n0.750000 0.128950 0.453106 Cu\n0.250000 0.871051 0.546894 Cu\n0.250000 0.689157 0.181223 H\n0.750000 0.310843 0.818777 H\n0.750000 0.189157 0.318777 H\n0.250000 0.810843 0.681223 H\n0.250000 0.048038 0.279953 S\n0.750000 0.951962 0.720047 S\n0.750000 0.548038 0.220047 S\n0.250000 0.451962 0.779953 S\n0.446775 0.311215 0.488951 N\n0.553225 0.688785 0.511049 N\n0.553225 0.811215 0.011049 N\n0.946775 0.688785 0.511049 N\n0.446775 0.188785 0.988951 N\n0.053225 0.311215 0.488951 N\n0.053225 0.188785 0.988951 N\n0.946775 0.811215 0.011049 N\n0.550521 0.264800 0.983037 N\n0.449479 0.735200 0.016963 N\n0.449479 0.764800 0.516963 N\n0.050521 0.735200 0.016963 N\n0.550521 0.235200 0.483037 N\n0.949479 0.264800 0.983037 N\n0.949479 0.235200 0.483037 N\n0.050521 0.764800 0.516963 N\n0.103515 0.981836 0.227427 O\n0.896485 0.018164 0.772573 O\n0.896485 0.481836 0.272573 O\n0.603515 0.018164 0.772573 O\n0.103515 0.518164 0.727427 O\n0.396485 0.981836 0.227427 O\n0.396485 0.518164 0.727427 O\n0.603515 0.481836 0.272573 O\n0.250000 0.019174 0.427544 O\n0.750000 0.980826 0.572456 O\n0.750000 0.519174 0.072456 O\n0.250000 0.480826 0.927544 O\n0.250000 0.207765 0.271377 O\n0.750000 0.792235 0.728623 O\n0.750000 0.707765 0.228623 O\n0.250000 0.292235 0.771377 O\n",
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{
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"structure_string": "Ho4 As8 O8\n1.0\n-5.436733 5.436733 6.754894\n5.436733 -5.436733 6.754894\n5.436733 5.436733 -6.754894\nHo As O\n4 8 8\ndirect\n0.875000 0.125000 0.750000 Ho\n0.375000 0.125000 0.250000 Ho\n0.875000 0.625000 0.750000 Ho\n0.875000 0.125000 0.250000 Ho\n0.771289 0.389455 0.381834 As\n0.007620 0.389455 0.618166 As\n0.139455 0.257620 0.118166 As\n0.742380 0.860545 0.881834 As\n0.978711 0.860545 0.118166 As\n0.139455 0.021289 0.881834 As\n0.610545 0.992380 0.381834 As\n0.610545 0.228711 0.618166 As\n0.574682 0.276272 0.298410 O\n0.977862 0.276272 0.701590 O\n0.026272 0.227862 0.201590 O\n0.772138 0.973728 0.798410 O\n0.175318 0.973728 0.201590 O\n0.026272 0.824682 0.798410 O\n0.723728 0.022138 0.298410 O\n0.723728 0.425318 0.701590 O\n",
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{
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