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{
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{
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"structure_string": "V4 P4 H12 Pb2 O28\n1.0\n4.347009 4.480021 -0.852509\n-4.347009 4.480021 0.852509\n0.152282 0.000000 14.428935\nV P H Pb O\n4 4 12 2 28\ndirect\n0.736519 0.045953 0.471283 V\n0.954047 0.263481 0.971283 V\n0.254990 0.500216 0.569224 V\n0.499784 0.745010 0.069224 V\n0.251082 0.021540 0.521203 P\n0.978460 0.748918 0.021203 P\n0.747563 0.521446 0.525916 P\n0.478554 0.252437 0.025916 P\n0.823786 0.036043 0.302418 H\n0.963957 0.176214 0.802418 H\n0.147678 0.420742 0.764148 H\n0.579258 0.852322 0.264148 H\n0.347212 0.569013 0.762734 H\n0.430987 0.652788 0.262734 H\n0.116214 0.928721 0.703127 H\n0.071279 0.883786 0.203127 H\n0.778571 0.578738 0.786120 H\n0.421262 0.221429 0.286120 H\n0.893763 0.796567 0.778314 H\n0.203433 0.106237 0.278314 H\n0.488642 0.041364 0.789902 Pb\n0.958636 0.511358 0.289902 Pb\n0.787156 0.028256 0.586305 O\n0.971744 0.212844 0.086305 O\n0.431731 0.041420 0.459022 O\n0.958580 0.568269 0.959022 O\n0.041606 0.059312 0.453678 O\n0.940688 0.958394 0.953678 O\n0.727355 0.361612 0.452061 O\n0.638388 0.272645 0.952061 O\n0.743012 0.739517 0.465016 O\n0.260483 0.256988 0.965016 O\n0.211619 0.522470 0.455029 O\n0.477530 0.788381 0.955029 O\n0.260533 0.799842 0.583965 O\n0.200158 0.739467 0.083965 O\n0.963136 0.485696 0.592966 O\n0.514304 0.036864 0.092966 O\n0.565390 0.495869 0.588969 O\n0.504131 0.434610 0.088969 O\n0.278585 0.186578 0.594492 O\n0.813422 0.721415 0.094492 O\n0.690509 0.068726 0.326793 O\n0.931274 0.309491 0.826793 O\n0.285948 0.444883 0.735913 O\n0.555117 0.714052 0.235913 O\n0.157142 0.906801 0.771473 O\n0.093199 0.842858 0.271473 O\n0.748470 0.734507 0.769299 O\n0.265493 0.251530 0.269299 O\n",
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{
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"structure_string": "La6 Sm2 Cr5 Fe3 O24\n1.0\n7.841633 0.000000 0.000000\n0.000000 7.841955 0.000000\n0.000000 0.001426 7.843363\nLa Sm Cr Fe O\n6 2 5 3 24\ndirect\n0.749715 0.749711 0.749129 La\n0.250285 0.749711 0.749129 La\n0.749685 0.749712 0.250826 La\n0.250315 0.749712 0.250826 La\n0.749721 0.250302 0.250823 La\n0.250279 0.250302 0.250823 La\n0.749685 0.250321 0.749100 Sm\n0.250315 0.250321 0.749100 Sm\n0.000000 0.000466 0.500438 Cr\n0.500000 0.000452 0.500436 Cr\n0.500000 0.499593 0.999546 Cr\n0.000000 0.499548 0.500430 Cr\n0.500000 0.499523 0.500470 Cr\n0.000000 0.000636 0.999348 Fe\n0.500000 0.000652 0.999338 Fe\n0.000000 0.499376 0.999342 Fe\n0.000000 0.749690 0.999802 O\n0.500000 0.749466 0.999790 O\n0.000000 0.749912 0.500133 O\n0.500000 0.749778 0.500147 O\n0.000000 0.250299 0.997546 O\n0.500000 0.250555 0.997381 O\n0.000000 0.250073 0.502836 O\n0.500000 0.250199 0.502831 O\n0.000000 0.002611 0.749028 O\n0.500000 0.002632 0.749086 O\n0.000000 0.000176 0.250959 O\n0.500000 0.000194 0.250894 O\n0.000000 0.497380 0.749090 O\n0.500000 0.497176 0.749532 O\n0.000000 0.499845 0.250898 O\n0.500000 0.499857 0.250488 O\n0.749694 0.001321 0.998651 O\n0.250306 0.001321 0.998651 O\n0.749922 0.001516 0.501503 O\n0.250078 0.001516 0.501503 O\n0.749450 0.498594 0.998559 O\n0.250550 0.498594 0.998559 O\n0.749789 0.498479 0.501513 O\n0.250211 0.498479 0.501513 O\n",
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{
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"structure_string": "Zn6 Si8 W4 O28\n1.0\n7.403396 0.000000 3.152421\n2.680930 9.113898 3.973464\n0.434523 0.020774 9.249106\nZn Si W O\n6 8 4 28\ndirect\n0.047815 0.874897 0.414277 Zn\n0.336990 0.625103 0.085723 Zn\n0.663010 0.374897 0.914277 Zn\n0.592857 0.250000 0.750000 Zn\n0.952185 0.125103 0.585723 Zn\n0.407143 0.750000 0.250000 Zn\n0.484026 0.311423 0.336279 Si\n0.868271 0.811423 0.836279 Si\n0.464444 0.912088 0.811188 Si\n0.812281 0.412088 0.311188 Si\n0.131729 0.188577 0.163721 Si\n0.535556 0.087912 0.188812 Si\n0.187719 0.587912 0.688812 Si\n0.515974 0.688577 0.663721 Si\n0.186234 0.250000 0.750000 W\n0.813766 0.750000 0.250000 W\n0.000000 0.000000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.094655 0.638667 0.539299 O\n0.074986 0.603744 0.247212 O\n0.560763 0.910602 0.249628 O\n0.074059 0.103744 0.747212 O\n0.725470 0.650265 0.518240 O\n0.993695 0.356390 0.156752 O\n0.279006 0.410602 0.749628 O\n0.893975 0.849735 0.981760 O\n0.006305 0.643610 0.843248 O\n0.351303 0.679424 0.609505 O\n0.925014 0.396256 0.752788 O\n0.274530 0.349735 0.481760 O\n0.506838 0.143610 0.343248 O\n0.727378 0.138667 0.039299 O\n0.359768 0.179424 0.109505 O\n0.106025 0.150265 0.018240 O\n0.066672 0.080714 0.351025 O\n0.648697 0.320576 0.390495 O\n0.498411 0.419286 0.148975 O\n0.640232 0.820576 0.890495 O\n0.493162 0.856390 0.656752 O\n0.925941 0.896256 0.252788 O\n0.501589 0.580714 0.851025 O\n0.439237 0.089398 0.750372 O\n0.933328 0.919286 0.648975 O\n0.720994 0.589398 0.250372 O\n0.272622 0.861333 0.960701 O\n0.905345 0.361333 0.460701 O\n",
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{
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"structure_string": "Rb4 Cd6 H12 S6 O32\n1.0\n4.159369 -9.470288 0.000000\n4.159369 9.470288 0.000000\n0.000000 0.000000 10.376683\nRb Cd H S O\n4 6 12 6 32\ndirect\n0.768732 0.143576 0.219500 Rb\n0.231267 0.856424 0.719500 Rb\n0.856424 0.231267 0.719500 Rb\n0.143576 0.768733 0.219500 Rb\n0.557670 0.372245 0.162240 Cd\n0.442330 0.627755 0.662240 Cd\n0.627755 0.442330 0.662240 Cd\n0.372245 0.557670 0.162240 Cd\n0.182471 0.182471 0.451255 Cd\n0.817529 0.817529 0.951255 Cd\n0.547864 0.547864 0.467601 H\n0.452136 0.452136 0.967601 H\n0.427349 0.427349 0.332788 H\n0.572651 0.572651 0.832788 H\n0.431779 0.079251 0.000536 H\n0.568221 0.920749 0.500536 H\n0.920749 0.568221 0.500536 H\n0.079251 0.431779 0.000536 H\n0.290853 0.096173 0.997090 H\n0.709147 0.903827 0.497090 H\n0.903827 0.709147 0.497090 H\n0.096173 0.290853 0.997090 H\n0.879194 0.521971 0.941772 S\n0.120806 0.478029 0.441772 S\n0.478029 0.120806 0.441772 S\n0.521971 0.879194 0.941772 S\n0.195139 0.195139 0.783770 S\n0.804861 0.804861 0.283770 S\n0.800509 0.438464 0.071211 O\n0.199491 0.561536 0.571211 O\n0.561536 0.199491 0.571211 O\n0.438464 0.800509 0.071211 O\n0.954261 0.707194 0.943890 O\n0.045739 0.292806 0.443890 O\n0.292806 0.045739 0.443890 O\n0.707194 0.954261 0.943890 O\n0.744580 0.417385 0.839144 O\n0.255420 0.582615 0.339144 O\n0.582615 0.255420 0.339144 O\n0.417385 0.744580 0.839144 O\n0.025479 0.529129 0.917059 O\n0.974521 0.470871 0.417059 O\n0.470871 0.974521 0.417059 O\n0.529129 0.025479 0.917059 O\n0.091656 0.091656 0.666654 O\n0.908344 0.908344 0.166654 O\n0.092040 0.092040 0.903237 O\n0.907960 0.907960 0.403237 O\n0.362357 0.232906 0.788664 O\n0.637643 0.767094 0.288664 O\n0.767094 0.637643 0.288664 O\n0.232906 0.362357 0.788664 O\n0.461713 0.461713 0.531569 O\n0.538287 0.538287 0.031569 O\n0.341063 0.341063 0.268859 O\n0.658937 0.658937 0.768859 O\n0.366539 0.098730 0.055910 O\n0.633461 0.901270 0.555910 O\n0.901270 0.633461 0.555910 O\n0.098730 0.366539 0.055910 O\n",
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{
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"structure_string": "U3 Te5 Pb8 O32\n1.0\n5.875822 0.019185 -0.061768\n0.052055 15.596130 0.006228\n0.030543 0.003227 7.937637\nU Te Pb O\n3 5 8 32\ndirect\n0.999164 0.250805 0.500662 U\n0.000836 0.749195 0.499338 U\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 Te\n0.000000 0.500000 0.500000 Te\n0.996280 0.253705 0.001353 Te\n0.003720 0.746295 0.998647 Te\n0.000000 0.500000 0.000000 Te\n0.490415 0.166274 0.187509 Pb\n0.484973 0.656891 0.184559 Pb\n0.508558 0.418663 0.292708 Pb\n0.508529 0.915265 0.312878 Pb\n0.515027 0.343109 0.815441 Pb\n0.509585 0.833726 0.812491 Pb\n0.491471 0.084735 0.687122 Pb\n0.491442 0.581337 0.707292 Pb\n0.873177 0.135598 0.004263 O\n0.878002 0.624431 0.001558 O\n0.129553 0.383904 0.495954 O\n0.132468 0.883721 0.495871 O\n0.121998 0.375569 0.998442 O\n0.126823 0.864402 0.995737 O\n0.867532 0.116279 0.504129 O\n0.870447 0.616096 0.504046 O\n0.893393 0.487109 0.250485 O\n0.889376 0.985941 0.265800 O\n0.110231 0.238696 0.233626 O\n0.113233 0.733000 0.232175 O\n0.110624 0.014059 0.734200 O\n0.106607 0.512891 0.749515 O\n0.886767 0.267000 0.767825 O\n0.889769 0.761304 0.766374 O\n0.705282 0.283481 0.432755 O\n0.705330 0.783910 0.434387 O\n0.295045 0.034155 0.065025 O\n0.296675 0.530159 0.064411 O\n0.294670 0.216090 0.565613 O\n0.294718 0.716519 0.567245 O\n0.703325 0.469841 0.935589 O\n0.704955 0.965845 0.934975 O\n0.295217 0.216520 0.934633 O\n0.301162 0.706835 0.929900 O\n0.703569 0.458851 0.556308 O\n0.703850 0.958509 0.567752 O\n0.698838 0.293165 0.070100 O\n0.704783 0.783480 0.065367 O\n0.296150 0.041491 0.432248 O\n0.296431 0.541149 0.443692 O\n",
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{
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"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.0446088,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.712000Z",
"spacegroup": 2
}
]
}