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{
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{
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{
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{
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"structure_string": "Lu1 Ag2\n1.0\n-1.850888 1.850888 4.555008\n1.850888 -1.850888 4.555008\n1.850888 1.850888 -4.555008\nLu Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.666971 0.666971 0.000000 Ag\n0.333029 0.333029 0.000000 Ag\n",
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{
"id": "mp-1193937",
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"structure_string": "Yb8 Pb4 Se16\n1.0\n0.000000 -4.359468 0.000000\n-12.291307 0.000000 0.000000\n0.000000 0.000000 -15.651772\nYb Pb Se\n8 4 16\ndirect\n0.750000 0.008428 0.130216 Yb\n0.750000 0.508428 0.369784 Yb\n0.250000 0.991572 0.869784 Yb\n0.250000 0.491572 0.630216 Yb\n0.750000 0.140873 0.591822 Yb\n0.750000 0.640873 0.908178 Yb\n0.250000 0.859127 0.408178 Yb\n0.250000 0.359127 0.091822 Yb\n0.750000 0.685401 0.189305 Pb\n0.750000 0.185401 0.310695 Pb\n0.250000 0.314599 0.810695 Pb\n0.250000 0.814599 0.689305 Pb\n0.750000 0.342353 0.675755 Se\n0.750000 0.842353 0.824245 Se\n0.250000 0.657647 0.324245 Se\n0.250000 0.157647 0.175755 Se\n0.750000 0.312492 0.959059 Se\n0.750000 0.812492 0.540941 Se\n0.250000 0.687508 0.040941 Se\n0.250000 0.187508 0.459059 Se\n0.750000 0.456286 0.182617 Se\n0.750000 0.956286 0.317383 Se\n0.250000 0.543714 0.817383 Se\n0.250000 0.043714 0.682617 Se\n0.750000 0.116194 0.954807 Se\n0.750000 0.616194 0.545193 Se\n0.250000 0.883806 0.045193 Se\n0.250000 0.383806 0.454807 Se\n",
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{
"id": "mp-1179674",
"created_at": "2022-09-04T14:41:58.915561Z",
"structure_string": "Re4 O18\n1.0\n5.122169 0.000000 0.000000\n0.000000 8.952580 0.000000\n-1.991117 0.000000 8.403573\nRe O\n4 18\ndirect\n0.862137 0.250000 0.898315 Re\n0.137863 0.750000 0.101685 Re\n0.467326 0.250000 0.449452 Re\n0.532674 0.750000 0.550548 Re\n0.668755 0.250000 0.652400 O\n0.331245 0.750000 0.347600 O\n0.670693 0.250000 0.314171 O\n0.329307 0.750000 0.685829 O\n0.143068 0.250000 0.057775 O\n0.856932 0.750000 0.942225 O\n0.675298 0.405683 0.930752 O\n0.324702 0.905683 0.069248 O\n0.324702 0.594317 0.069248 O\n0.675298 0.094317 0.930752 O\n0.262161 0.407529 0.415966 O\n0.737839 0.907529 0.584034 O\n0.737839 0.592471 0.584034 O\n0.262161 0.092471 0.415966 O\n0.103502 0.367472 0.772455 O\n0.896498 0.867472 0.227545 O\n0.896498 0.632528 0.227545 O\n0.103502 0.132528 0.772455 O\n",
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{
"id": "mp-571495",
"created_at": "2022-09-04T14:41:58.691948Z",
"structure_string": "Lu4 B16\n1.0\n7.026870 0.000000 0.000000\n0.000000 7.026870 0.000000\n0.000000 0.000000 3.968213\nLu B\n4 16\ndirect\n0.318253 0.818253 0.000000 Lu\n0.818253 0.681747 0.000000 Lu\n0.681747 0.181747 0.000000 Lu\n0.181747 0.318253 0.000000 Lu\n0.822903 0.961471 0.500000 B\n0.413394 0.086606 0.500000 B\n0.538529 0.677097 0.500000 B\n0.913394 0.413394 0.500000 B\n0.322903 0.538529 0.500000 B\n0.086606 0.586606 0.500000 B\n0.677097 0.461471 0.500000 B\n0.038529 0.822903 0.500000 B\n0.000000 0.000000 0.202389 B\n0.500000 0.500000 0.202389 B\n0.000000 0.000000 0.797611 B\n0.961471 0.177097 0.500000 B\n0.177097 0.038529 0.500000 B\n0.586606 0.913394 0.500000 B\n0.500000 0.500000 0.797611 B\n0.461471 0.322903 0.500000 B\n",
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{
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"structure_string": "Ba3 Mn3 O9\n1.0\n7.348827 -2.883041 0.000000\n7.348827 2.883041 0.000000\n6.217772 0.000000 4.863794\nBa Mn O\n3 3 9\ndirect\n0.779254 0.779254 0.779254 Ba\n0.220746 0.220746 0.220746 Ba\n0.000000 0.000000 0.000000 Ba\n0.618797 0.618797 0.618797 Mn\n0.381203 0.381203 0.381203 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.294532 0.294532 0.735789 O\n0.735789 0.294532 0.294532 O\n0.294532 0.735789 0.294532 O\n0.264211 0.705468 0.705468 O\n0.705468 0.705468 0.264211 O\n0.705468 0.264211 0.705468 O\n",
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{
"id": "mp-643067",
"created_at": "2022-09-04T14:41:58.701429Z",
"structure_string": "Mg18 Sn6\n1.0\n10.961800 -0.000457 0.000189\n-5.481287 9.493931 -0.000468\n0.000030 -0.000179 5.269493\nMg Sn\n18 6\ndirect\n0.501557 0.829728 0.251011 Mg\n0.328156 0.498375 0.251068 Mg\n0.170245 0.671823 0.251040 Mg\n0.498444 0.170264 0.748988 Mg\n0.671835 0.501624 0.748966 Mg\n0.829760 0.328190 0.748961 Mg\n0.168244 0.163039 0.251025 Mg\n0.994780 0.831703 0.251005 Mg\n0.836920 0.005178 0.251002 Mg\n0.831743 0.836950 0.748982 Mg\n0.005219 0.168311 0.748982 Mg\n0.163085 0.994822 0.748987 Mg\n0.834924 0.496326 0.250875 Mg\n0.661410 0.165029 0.250862 Mg\n0.503662 0.338563 0.250929 Mg\n0.165061 0.503665 0.749106 Mg\n0.338596 0.834965 0.749111 Mg\n0.496341 0.661424 0.749057 Mg\n0.666737 0.666803 0.252026 Sn\n0.000087 0.333245 0.252168 Sn\n0.333118 0.999889 0.252205 Sn\n0.333254 0.333191 0.748010 Sn\n0.999938 0.666780 0.747879 Sn\n0.666884 0.000112 0.747754 Sn\n",
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{
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{
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"structure_string": "Cd6 Cl4 O4\n1.0\n6.831396 0.000000 0.000000\n0.000000 6.546793 0.000000\n0.000000 2.980825 6.076808\nCd Cl O\n6 4 4\ndirect\n0.873166 0.411718 0.229671 Cd\n0.373166 0.588282 0.270329 Cd\n0.126834 0.588282 0.770329 Cd\n0.626834 0.411718 0.729671 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.635065 0.808612 0.935242 Cl\n0.135065 0.191388 0.564758 Cl\n0.864935 0.808612 0.435242 Cl\n0.364935 0.191388 0.064758 Cl\n0.612505 0.331430 0.436620 O\n0.112505 0.668570 0.063380 O\n0.387495 0.668570 0.563380 O\n0.887495 0.331430 0.936620 O\n",
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{
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:32.318000Z",
"spacegroup": 216
}
]
}