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{
"id": "mp-1026891",
"created_at": "2022-09-04T14:41:53.934948Z",
"structure_string": "Sr1 Mg14 Cu1\n1.0\n6.575102 0.162584 0.000000\n-3.146749 5.450329 0.000000\n0.000000 0.000000 10.380612\nSr Mg Cu\n1 14 1\ndirect\n0.124505 0.812252 0.125000 Sr\n0.162409 0.331204 0.625000 Mg\n0.169257 0.834628 0.625000 Mg\n0.620437 0.320963 0.125000 Mg\n0.665864 0.327883 0.625000 Mg\n0.620437 0.799473 0.125000 Mg\n0.665864 0.837980 0.625000 Mg\n0.344495 0.177296 0.381477 Mg\n0.344495 0.177296 0.868523 Mg\n0.344495 0.667200 0.381477 Mg\n0.344495 0.667200 0.868523 Mg\n0.864495 0.182248 0.344390 Mg\n0.864495 0.182248 0.905610 Mg\n0.826288 0.663145 0.392610 Mg\n0.826288 0.663145 0.857390 Mg\n0.211683 0.355841 0.125000 Cu\n",
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{
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"structure_string": "K2 Li1 H2 Se2 O6\n1.0\n4.969811 0.589220 -1.881358\n-0.107602 5.640438 -2.254264\n-0.047374 0.048367 8.367306\nK Li H Se O\n2 1 2 2 6\ndirect\n0.245416 0.596357 0.118830 K\n0.679506 0.382400 0.786027 K\n0.782358 0.791590 0.323686 Li\n0.204735 0.073478 0.049854 H\n0.661660 0.914928 0.055925 H\n0.055651 0.245181 0.375642 Se\n0.154624 0.840235 0.735374 Se\n0.144038 0.110548 0.931827 O\n0.699662 0.764249 0.079771 O\n0.879609 0.444214 0.264678 O\n0.058774 0.627947 0.779545 O\n0.284447 0.077581 0.265463 O\n0.887019 0.938582 0.585229 O\n",
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"formula_full": "K2 Li1 H2 Se2 O6",
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"spacegroup": 1
},
{
"id": "mp-1210744",
"created_at": "2022-09-04T14:41:53.818523Z",
"structure_string": "Mn2 V2 Pb1 O10\n1.0\n-4.216641 -2.994512 2.177554\n4.216641 -2.994512 -2.177554\n4.425870 2.994512 5.872197\nMn V Pb O\n2 2 1 10\ndirect\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.808954 0.425268 0.234222 V\n0.191046 0.574732 0.765778 V\n0.000000 0.000000 0.000000 Pb\n0.403497 0.180950 0.584447 O\n0.596503 0.819050 0.415553 O\n0.059920 0.324329 0.384249 O\n0.940080 0.675671 0.615751 O\n0.960136 0.782159 0.269555 O\n0.039864 0.217841 0.730445 O\n0.512604 0.690581 0.730445 O\n0.487396 0.309419 0.269555 O\n0.271625 0.711911 0.983536 O\n0.728375 0.288089 0.016464 O\n",
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"formula_full": "Mn2 V2 Pb1 O10",
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"spacegroup": 12
},
{
"id": "mp-1368521",
"created_at": "2022-09-04T14:41:53.820212Z",
"structure_string": "Ta2 Zn4 Sn2 O12\n1.0\n7.899177 0.000000 0.000000\n0.000000 5.490908 0.000000\n0.000000 0.189391 5.492327\nTa Zn Sn O\n2 4 2 12\ndirect\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.750000 0.019703 0.010691 Zn\n0.750000 0.489978 0.527790 Zn\n0.250000 0.510022 0.472210 Zn\n0.250000 0.980297 0.989309 Zn\n0.000000 0.500000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.434539 0.143845 0.178560 O\n0.570141 0.689963 0.348524 O\n0.565461 0.856155 0.821440 O\n0.070141 0.310037 0.651476 O\n0.250000 0.875142 0.569607 O\n0.429859 0.310037 0.651476 O\n0.929859 0.689963 0.348524 O\n0.065461 0.143845 0.178560 O\n0.750000 0.381337 0.903839 O\n0.934539 0.856155 0.821440 O\n0.250000 0.618663 0.096161 O\n0.750000 0.124858 0.430393 O\n",
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{
"id": "mp-1035804",
"created_at": "2022-09-04T14:41:53.837362Z",
"structure_string": "Mg14 Zn1 Cd1 O16\n1.0\n4.316755 0.000000 0.000000\n0.000000 8.604210 0.000000\n0.000000 0.000000 8.625579\nMg Zn Cd O\n14 1 1 16\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.756080 0.000000 Mg\n0.500000 0.243920 0.000000 Mg\n0.500000 0.750999 0.500000 Mg\n0.500000 0.249001 0.500000 Mg\n0.500000 0.000000 0.749229 Mg\n0.500000 0.500000 0.744429 Mg\n0.500000 0.000000 0.250771 Mg\n0.500000 0.500000 0.255571 Mg\n0.000000 0.753132 0.746858 Mg\n0.000000 0.246868 0.746858 Mg\n0.000000 0.753132 0.253142 Mg\n0.000000 0.246868 0.253142 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Cd\n0.000000 0.000000 0.741879 O\n0.000000 0.500000 0.734714 O\n0.000000 0.000000 0.258121 O\n0.000000 0.500000 0.265286 O\n0.500000 0.749641 0.751225 O\n0.500000 0.250359 0.751225 O\n0.500000 0.749641 0.248775 O\n0.500000 0.250359 0.248775 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.764123 0.000000 O\n0.000000 0.235877 0.000000 O\n0.000000 0.751782 0.500000 O\n0.000000 0.248218 0.500000 O\n",
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"volume": 320.37355426731955,
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"formula_full": "Mg14 Zn1 Cd1 O16",
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{
"id": "mp-1210298",
"created_at": "2022-09-04T14:41:53.839467Z",
"structure_string": "Na3 Sr2 Ti3 Si4 O18\n1.0\n3.581455 9.933700 0.000000\n-3.581455 9.933700 0.000000\n0.000000 0.650789 5.393443\nNa Sr Ti Si O\n3 2 3 4 18\ndirect\n0.758108 0.241892 0.500000 Na\n0.241892 0.758108 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.783590 0.783590 0.739151 Sr\n0.216410 0.216410 0.260849 Sr\n0.649059 0.649059 0.294428 Ti\n0.350941 0.350941 0.705572 Ti\n0.000000 0.000000 0.000000 Ti\n0.641590 0.073987 0.201240 Si\n0.358410 0.926013 0.798760 Si\n0.926013 0.358410 0.798760 Si\n0.073987 0.641590 0.201240 Si\n0.515782 0.133973 0.465512 O\n0.484218 0.866027 0.534488 O\n0.866027 0.484218 0.534488 O\n0.133973 0.515782 0.465512 O\n0.730441 0.148740 0.170215 O\n0.269559 0.851260 0.829785 O\n0.851260 0.269559 0.829785 O\n0.148740 0.730441 0.170215 O\n0.487595 0.865776 0.028578 O\n0.512405 0.134224 0.971422 O\n0.134224 0.512405 0.971422 O\n0.865776 0.487595 0.028578 O\n0.563736 0.563736 0.326727 O\n0.436264 0.436264 0.673273 O\n0.944000 0.944000 0.752067 O\n0.056000 0.056000 0.247933 O\n0.824236 0.824236 0.218755 O\n0.175764 0.175764 0.781245 O\n",
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"formula_full": "Na3 Sr2 Ti3 Si4 O18",
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"energy": -236.12764877,
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{
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"structure_string": "P16 C8 Se12 N8\n1.0\n6.853759 0.000000 0.000000\n0.000000 12.511679 0.000000\n0.000000 4.291514 13.582531\nP C Se N\n16 8 12 8\ndirect\n0.498919 0.135595 0.105144 P\n0.293182 0.248967 0.148959 P\n0.462590 0.117618 0.395354 P\n0.706818 0.751033 0.851041 P\n0.228692 0.506493 0.339862 P\n0.962590 0.382382 0.604646 P\n0.271308 0.006493 0.339862 P\n0.537410 0.882382 0.604646 P\n0.206818 0.748967 0.148959 P\n0.037410 0.617618 0.395354 P\n0.771308 0.493507 0.660138 P\n0.501081 0.864405 0.894856 P\n0.998919 0.364405 0.894856 P\n0.728692 0.993507 0.660138 P\n0.793182 0.251033 0.851041 P\n0.001081 0.635595 0.105144 P\n0.779155 0.337868 0.535321 C\n0.164538 0.593254 0.025131 C\n0.720845 0.837868 0.535321 C\n0.335462 0.093254 0.025131 C\n0.279155 0.162132 0.464679 C\n0.220845 0.662132 0.464679 C\n0.664538 0.906746 0.974869 C\n0.835462 0.406746 0.974869 C\n0.499756 0.278566 0.264867 Se\n0.500244 0.721434 0.735133 Se\n0.504826 0.973856 0.236715 Se\n0.564981 0.370489 0.762114 Se\n0.999756 0.221434 0.735133 Se\n0.995174 0.473856 0.236715 Se\n0.064981 0.129511 0.237886 Se\n0.935019 0.870489 0.762114 Se\n0.495174 0.026144 0.763285 Se\n0.004826 0.526144 0.763285 Se\n0.435019 0.629511 0.237886 Se\n0.000244 0.778566 0.264867 Se\n0.742561 0.429802 0.035193 N\n0.331527 0.686563 0.517487 N\n0.242561 0.070198 0.964807 N\n0.668473 0.313437 0.482513 N\n0.757439 0.929802 0.035193 N\n0.831527 0.813437 0.482513 N\n0.168473 0.186563 0.517487 N\n0.257439 0.570198 0.964807 N\n",
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{
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"structure_string": "Li4 Mn2 O4 F2\n1.0\n2.945167 -0.060484 -0.049847\n1.524820 -2.640166 -0.002197\n0.242691 0.128490 -14.526401\nLi Mn O F\n4 2 4 2\ndirect\n0.985800 0.999870 0.993343 Li\n0.335603 0.325046 0.833098 Li\n0.332108 0.348209 0.333588 Li\n0.684639 0.651566 0.673121 Li\n0.007320 0.000658 0.502991 Mn\n0.657090 0.677790 0.164031 Mn\n0.008967 0.059783 0.242487 O\n0.304127 0.297757 0.085525 O\n0.358980 0.267751 0.581263 O\n0.655504 0.733620 0.424472 O\n0.007349 0.982779 0.752834 F\n0.662513 0.655171 0.913248 F\n",
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{
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}