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{
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{
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"structure_string": "Nb16 Cr28 Si32\n1.0\n0.000000 0.000000 4.854696\n13.231009 0.000000 0.000000\n0.000000 15.809941 0.000000\nNb Cr Si\n16 28 32\ndirect\n0.250000 0.564524 0.304649 Nb\n0.250000 0.064524 0.195351 Nb\n0.750000 0.435476 0.695351 Nb\n0.750000 0.935476 0.804649 Nb\n0.250000 0.747206 0.026724 Nb\n0.250000 0.247206 0.473276 Nb\n0.750000 0.252794 0.973276 Nb\n0.750000 0.752794 0.526724 Nb\n0.250000 0.866036 0.457881 Nb\n0.250000 0.366036 0.042119 Nb\n0.750000 0.133964 0.542119 Nb\n0.750000 0.633964 0.957881 Nb\n0.250000 0.621097 0.505467 Nb\n0.250000 0.121097 0.994533 Nb\n0.750000 0.378903 0.494533 Nb\n0.750000 0.878903 0.005467 Nb\n0.250000 0.812424 0.749618 Cr\n0.250000 0.312424 0.750382 Cr\n0.750000 0.187576 0.250382 Cr\n0.750000 0.687576 0.249618 Cr\n0.011347 0.559108 0.122899 Cr\n0.488653 0.059108 0.377101 Cr\n0.511347 0.440892 0.877101 Cr\n0.988653 0.940892 0.622899 Cr\n0.988653 0.440892 0.877101 Cr\n0.511347 0.940892 0.622899 Cr\n0.488653 0.559108 0.122899 Cr\n0.011347 0.059108 0.377101 Cr\n0.990086 0.863745 0.176019 Cr\n0.509914 0.363745 0.323981 Cr\n0.490086 0.136255 0.823981 Cr\n0.009914 0.636255 0.676019 Cr\n0.009914 0.136255 0.823981 Cr\n0.490086 0.636255 0.676019 Cr\n0.509914 0.863745 0.176019 Cr\n0.990086 0.363745 0.323981 Cr\n0.250000 0.634602 0.844503 Cr\n0.250000 0.134602 0.655497 Cr\n0.750000 0.365398 0.155497 Cr\n0.750000 0.865398 0.344503 Cr\n0.250000 0.952455 0.904671 Cr\n0.250000 0.452455 0.595329 Cr\n0.750000 0.047545 0.095329 Cr\n0.750000 0.547545 0.404671 Cr\n0.250000 0.944688 0.061945 Si\n0.250000 0.444688 0.438055 Si\n0.750000 0.055312 0.938055 Si\n0.750000 0.555312 0.561945 Si\n0.997169 0.714918 0.378216 Si\n0.502831 0.214918 0.121784 Si\n0.497169 0.285082 0.621784 Si\n0.002831 0.785082 0.878216 Si\n0.002831 0.285082 0.621784 Si\n0.497169 0.785082 0.878216 Si\n0.502831 0.714918 0.378216 Si\n0.997169 0.214918 0.121784 Si\n0.250000 0.549424 0.981630 Si\n0.250000 0.049424 0.518370 Si\n0.750000 0.450576 0.018370 Si\n0.750000 0.950576 0.481630 Si\n0.250000 0.778826 0.604941 Si\n0.250000 0.278826 0.895059 Si\n0.750000 0.221174 0.395059 Si\n0.750000 0.721174 0.104941 Si\n0.250000 0.910397 0.301803 Si\n0.250000 0.410397 0.198197 Si\n0.750000 0.089603 0.698197 Si\n0.750000 0.589603 0.801803 Si\n0.250000 0.996104 0.752070 Si\n0.250000 0.496104 0.747930 Si\n0.750000 0.003896 0.247930 Si\n0.750000 0.503896 0.252070 Si\n0.250000 0.708569 0.194670 Si\n0.250000 0.208569 0.305330 Si\n0.750000 0.291431 0.805330 Si\n0.750000 0.791431 0.694670 Si\n",
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{
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{
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"structure_string": "La2 Co2 Sb4\n1.0\n4.398547 0.000000 0.000000\n0.000000 4.398547 0.000000\n0.000000 0.000000 10.035207\nLa Co Sb\n2 2 4\ndirect\n0.000000 0.500000 0.744011 La\n0.500000 0.000000 0.255989 La\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.372566 Sb\n0.500000 0.000000 0.627434 Sb\n",
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{
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"structure_string": "Dy8 Fe56 C4\n1.0\n8.724923 0.000000 0.000000\n0.000000 8.724923 0.000000\n0.000000 0.000000 11.715355\nDy Fe C\n8 56 4\ndirect\n0.355713 0.355713 0.500000 Dy\n0.644287 0.644287 0.500000 Dy\n0.241075 0.758925 0.500000 Dy\n0.758925 0.241075 0.500000 Dy\n0.258925 0.258925 0.000000 Dy\n0.855713 0.144287 0.000000 Dy\n0.741075 0.741075 0.000000 Dy\n0.144287 0.855713 0.000000 Dy\n0.225538 0.563980 0.879752 Fe\n0.464657 0.857922 0.675382 Fe\n0.936020 0.725538 0.379752 Fe\n0.596989 0.403011 0.296145 Fe\n0.684592 0.684592 0.754609 Fe\n0.436020 0.774462 0.879752 Fe\n0.684592 0.684592 0.245391 Fe\n0.964657 0.642078 0.175382 Fe\n0.142078 0.535343 0.675382 Fe\n0.063980 0.274462 0.620248 Fe\n0.500000 0.500000 0.108065 Fe\n0.642078 0.964657 0.824618 Fe\n0.725538 0.936020 0.620248 Fe\n0.035343 0.357922 0.824618 Fe\n0.142078 0.535343 0.324618 Fe\n0.315408 0.315408 0.754609 Fe\n0.857922 0.464657 0.324618 Fe\n0.903011 0.903011 0.796145 Fe\n0.815408 0.184592 0.254609 Fe\n0.774462 0.436020 0.120248 Fe\n0.596989 0.403011 0.703855 Fe\n0.274462 0.063980 0.379752 Fe\n0.500000 0.500000 0.891935 Fe\n0.357922 0.035343 0.824618 Fe\n0.403011 0.596989 0.296145 Fe\n0.964657 0.642078 0.824618 Fe\n0.225538 0.563980 0.120248 Fe\n0.000000 0.000000 0.608065 Fe\n0.357922 0.035343 0.175382 Fe\n0.274462 0.063980 0.620248 Fe\n0.857922 0.464657 0.675382 Fe\n0.563980 0.225538 0.120248 Fe\n0.563980 0.225538 0.879752 Fe\n0.903011 0.903011 0.203855 Fe\n0.096989 0.096989 0.796145 Fe\n0.184592 0.815408 0.254609 Fe\n0.464657 0.857922 0.324618 Fe\n0.000000 0.500000 0.500000 Fe\n0.725538 0.936020 0.379752 Fe\n0.774462 0.436020 0.879752 Fe\n0.000000 0.000000 0.391935 Fe\n0.500000 0.000000 0.500000 Fe\n0.315408 0.315408 0.245391 Fe\n0.063980 0.274462 0.379752 Fe\n0.436020 0.774462 0.120248 Fe\n0.642078 0.964657 0.175382 Fe\n0.535343 0.142078 0.675382 Fe\n0.096989 0.096989 0.203855 Fe\n0.035343 0.357922 0.175382 Fe\n0.000000 0.500000 0.000000 Fe\n0.535343 0.142078 0.324618 Fe\n0.184592 0.815408 0.745391 Fe\n0.936020 0.725538 0.620248 Fe\n0.403011 0.596989 0.703855 Fe\n0.815408 0.184592 0.745391 Fe\n0.500000 0.000000 0.000000 Fe\n0.627076 0.372924 0.000000 C\n0.127076 0.127076 0.500000 C\n0.372924 0.627076 0.000000 C\n0.872924 0.872924 0.500000 C\n",
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{
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{
"id": "mp-1293032",
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"structure_string": "Li10 Mn8 O16\n1.0\n5.811535 0.005287 -0.004736\n2.910156 8.721327 4.862378\n-2.911944 -2.900927 4.842074\nLi Mn O\n10 8 16\ndirect\n0.750435 0.250259 0.750832 Li\n0.248100 0.749898 0.249449 Li\n0.533847 0.511233 0.580077 Li\n0.184724 0.957815 0.299770 Li\n0.966331 0.988791 0.919771 Li\n0.316263 0.541957 0.200238 Li\n0.977292 0.015389 0.541248 Li\n0.523110 0.484747 0.958471 Li\n0.541998 0.023099 0.564420 Li\n0.958185 0.477218 0.935969 Li\n0.749514 0.750080 0.250142 Mn\n0.249912 0.250081 0.750024 Mn\n0.502211 0.001902 0.005355 Mn\n0.997874 0.498090 0.494527 Mn\n0.750324 0.249967 0.250262 Mn\n0.250057 0.749953 0.749988 Mn\n0.249921 0.250008 0.250016 Mn\n0.749701 0.749858 0.749902 Mn\n0.891340 0.365747 0.129791 O\n0.385138 0.868208 0.612246 O\n0.608780 0.134110 0.370283 O\n0.114709 0.631704 0.887562 O\n0.137008 0.138515 0.388936 O\n0.631619 0.631959 0.871521 O\n0.363403 0.361405 0.111360 O\n0.868036 0.867949 0.628053 O\n0.892614 0.372799 0.622987 O\n0.360038 0.883987 0.097804 O\n0.360287 0.376726 0.635676 O\n0.862733 0.889198 0.117113 O\n0.139855 0.123402 0.864353 O\n0.637287 0.610655 0.382988 O\n0.607612 0.127286 0.877195 O\n0.139741 0.616005 0.401670 O\n",
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{
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"elements": [
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"formula_full": "Li2 Sm2 Al2 F12",
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{
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"formula_full": "Li1 La1 Au2",
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"updated_at": "2021-11-28T01:34:36.494000Z",
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},
{
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"structure_string": "Zr4 Cr8\n1.0\n2.549586 -4.416013 0.000000\n2.549586 4.416013 0.000000\n0.000000 0.000000 8.107787\nZr Cr\n4 8\ndirect\n0.333333 0.666667 0.060056 Zr\n0.666667 0.333333 0.560056 Zr\n0.666667 0.333333 0.939944 Zr\n0.333333 0.666667 0.439944 Zr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.832560 0.665120 0.250000 Cr\n0.167440 0.832560 0.750000 Cr\n0.665120 0.832560 0.750000 Cr\n0.334880 0.167440 0.250000 Cr\n0.832560 0.167440 0.250000 Cr\n0.167440 0.334880 0.750000 Cr\n",
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"formula_full": "Zr4 Cr8",
"formula_reduced": "ZrCr2",
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}
]
}