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{
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{
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"structure_string": "La12 Ti6 Se18 O10\n1.0\n1.964130 22.423640 0.000000\n-1.964130 22.423640 0.000000\n0.000000 1.370924 11.173331\nLa Ti Se O\n12 6 18 10\ndirect\n0.638543 0.638543 0.347857 La\n0.538167 0.538167 0.253371 La\n0.464195 0.464195 0.743589 La\n0.112981 0.112981 0.986630 La\n0.041675 0.041675 0.745114 La\n0.211887 0.211887 0.538192 La\n0.361457 0.361457 0.652143 La\n0.960914 0.960914 0.250835 La\n0.788113 0.788113 0.461808 La\n0.212380 0.212380 0.993428 La\n0.787620 0.787620 0.006572 La\n0.887019 0.887019 0.013370 La\n0.731245 0.731245 0.258880 Ti\n0.359397 0.359397 0.342475 Ti\n0.642904 0.642904 0.654862 Ti\n0.001201 0.001201 0.498598 Ti\n0.268755 0.268755 0.741120 Ti\n0.501346 0.501346 0.998553 Ti\n0.410245 0.410245 0.184105 Se\n0.589755 0.589755 0.815895 Se\n0.728681 0.728681 0.765293 Se\n0.837465 0.837465 0.224180 Se\n0.041594 0.041594 0.028085 Se\n0.093706 0.093706 0.252573 Se\n0.811369 0.811369 0.716899 Se\n0.888850 0.888850 0.445618 Se\n0.271319 0.271319 0.234707 Se\n0.344736 0.344736 0.937894 Se\n0.960870 0.960870 0.969176 Se\n0.162535 0.162535 0.775820 Se\n0.542312 0.542312 0.523060 Se\n0.908547 0.908547 0.744342 Se\n0.655264 0.655264 0.062106 Se\n0.113548 0.113548 0.551741 Se\n0.460528 0.460528 0.473134 Se\n0.188631 0.188631 0.283101 Se\n0.735164 0.735164 0.430066 O\n0.012606 0.012606 0.326808 O\n0.514534 0.514534 0.826017 O\n0.732704 0.732704 0.081568 O\n0.267296 0.267296 0.918432 O\n0.329844 0.329844 0.468102 O\n0.989824 0.989824 0.669281 O\n0.264836 0.264836 0.569934 O\n0.488143 0.488143 0.170020 O\n0.672431 0.672431 0.530684 O\n",
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{
"id": "mp-608653",
"created_at": "2022-09-04T14:39:58.211249Z",
"structure_string": "As16 Pb16 S40\n1.0\n26.235109 0.000000 0.000000\n0.000000 8.217523 0.000000\n0.000000 0.006968 8.479629\nAs Pb S\n16 16 40\ndirect\n0.451974 0.558858 0.442146 As\n0.345799 0.279740 0.636224 As\n0.960322 0.438767 0.114105 As\n0.364850 0.892228 0.373478 As\n0.460322 0.561233 0.885895 As\n0.640655 0.056767 0.825028 As\n0.951974 0.441142 0.557854 As\n0.864850 0.107772 0.626522 As\n0.354391 0.886747 0.960037 As\n0.845799 0.720260 0.363776 As\n0.854391 0.113253 0.039963 As\n0.634639 0.059538 0.369559 As\n0.140655 0.943233 0.174972 As\n0.230951 0.631506 0.112053 As\n0.134639 0.940462 0.630441 As\n0.730951 0.368494 0.887947 As\n0.594266 0.468661 0.622073 Pb\n0.229161 0.215008 0.399765 Pb\n0.996271 0.035635 0.360254 Pb\n0.729161 0.784992 0.600235 Pb\n0.094266 0.531339 0.377927 Pb\n0.724959 0.802760 0.126207 Pb\n0.497727 0.960634 0.134750 Pb\n0.598773 0.461845 0.129120 Pb\n0.255942 0.645657 0.650053 Pb\n0.755942 0.354343 0.349947 Pb\n0.997727 0.039366 0.865250 Pb\n0.375841 0.307189 0.139102 Pb\n0.496271 0.964365 0.639746 Pb\n0.224959 0.197240 0.873793 Pb\n0.098773 0.538155 0.870880 Pb\n0.875841 0.692811 0.860898 Pb\n0.982947 0.593352 0.341704 S\n0.486491 0.395535 0.077427 S\n0.802524 0.961643 0.882074 S\n0.611067 0.909180 0.600467 S\n0.109041 0.104017 0.821747 S\n0.295554 0.052417 0.634274 S\n0.609041 0.895983 0.178253 S\n0.527859 0.737657 0.882162 S\n0.900536 0.259366 0.838142 S\n0.812259 0.573264 0.578621 S\n0.919716 0.895311 0.621487 S\n0.182479 0.412960 0.624971 S\n0.915054 0.927759 0.099131 S\n0.692523 0.229086 0.675048 S\n0.415054 0.072241 0.900869 S\n0.021112 0.284468 0.602978 S\n0.182418 0.401686 0.126457 S\n0.403573 0.741630 0.586451 S\n0.568286 0.241319 0.374565 S\n0.302524 0.038357 0.117926 S\n0.808237 0.572244 0.153874 S\n0.682479 0.587040 0.375029 S\n0.400536 0.740634 0.161858 S\n0.191869 0.761838 0.910066 S\n0.312259 0.426736 0.421379 S\n0.111067 0.090820 0.399533 S\n0.072934 0.781409 0.136925 S\n0.572934 0.218591 0.863075 S\n0.795554 0.947583 0.365726 S\n0.419716 0.104689 0.378513 S\n0.682418 0.598314 0.873543 S\n0.192523 0.770914 0.324952 S\n0.482947 0.406648 0.658296 S\n0.308237 0.427756 0.846126 S\n0.068286 0.758681 0.625435 S\n0.027859 0.262343 0.117838 S\n0.521112 0.715532 0.397022 S\n0.903573 0.258370 0.413549 S\n0.691869 0.238162 0.089934 S\n0.986491 0.604465 0.922573 S\n",
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{
"id": "mp-768082",
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"structure_string": "Na10 Ni4 P4 C4 O28\n1.0\n6.619019 0.000000 0.000000\n0.000000 10.160224 0.000000\n0.000000 5.057164 9.057728\nNa Ni P C O\n10 4 4 4 28\ndirect\n0.486309 0.730092 0.267580 Na\n0.013691 0.730092 0.267580 Na\n0.993827 0.253421 0.257256 Na\n0.506173 0.253421 0.257256 Na\n0.750000 0.084055 0.069394 Na\n0.250000 0.915945 0.930606 Na\n0.006173 0.746579 0.742744 Na\n0.493827 0.746579 0.742744 Na\n0.986309 0.269908 0.732420 Na\n0.513691 0.269908 0.732420 Na\n0.750000 0.651503 0.064221 Ni\n0.250000 0.349440 0.436715 Ni\n0.750000 0.650560 0.563285 Ni\n0.250000 0.348497 0.935779 Ni\n0.250000 0.581158 0.067175 P\n0.750000 0.420002 0.431269 P\n0.250000 0.579998 0.568731 P\n0.750000 0.418842 0.932825 P\n0.250000 0.065927 0.107694 C\n0.250000 0.069573 0.610359 C\n0.750000 0.930427 0.389641 C\n0.750000 0.934073 0.892306 C\n0.750000 0.871740 0.036181 O\n0.064443 0.680085 0.054637 O\n0.435557 0.680085 0.054637 O\n0.750000 0.571100 0.286302 O\n0.250000 0.545222 0.436105 O\n0.750000 0.451562 0.064403 O\n0.250000 0.430380 0.213341 O\n0.938401 0.324739 0.445649 O\n0.561599 0.324739 0.445649 O\n0.250000 0.158251 0.159713 O\n0.250000 0.162491 0.663142 O\n0.250000 0.132990 0.467405 O\n0.750000 0.071984 0.304867 O\n0.750000 0.076715 0.813545 O\n0.250000 0.923285 0.186455 O\n0.250000 0.928016 0.695133 O\n0.750000 0.867010 0.532595 O\n0.750000 0.837509 0.336858 O\n0.750000 0.841749 0.840287 O\n0.061599 0.675261 0.554351 O\n0.438401 0.675261 0.554351 O\n0.750000 0.569620 0.786659 O\n0.250000 0.548438 0.935597 O\n0.750000 0.454778 0.563895 O\n0.250000 0.428900 0.713698 O\n0.564443 0.319915 0.945363 O\n0.935557 0.319915 0.945363 O\n0.250000 0.128260 0.963819 O\n",
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{
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{
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"total_magnetization": 0.0104585,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.383000Z",
"spacegroup": 1
}
]
}