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{
"id": "mp-554160",
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"structure_string": "K8 Cu4 P8 O28\n1.0\n5.309289 0.000000 0.000000\n0.000000 9.819763 0.000000\n0.000000 0.000000 14.651535\nK Cu P O\n8 4 8 28\ndirect\n0.750000 0.373834 0.302603 K\n0.250000 0.626166 0.697397 K\n0.750000 0.628244 0.089386 K\n0.750000 0.871756 0.589386 K\n0.750000 0.126166 0.802603 K\n0.250000 0.873834 0.197397 K\n0.250000 0.371756 0.910614 K\n0.250000 0.128244 0.410614 K\n0.250000 0.247111 0.168812 Cu\n0.250000 0.252889 0.668812 Cu\n0.750000 0.752889 0.831188 Cu\n0.750000 0.747111 0.331188 Cu\n0.250000 0.727314 0.945422 P\n0.250000 0.772686 0.445422 P\n0.750000 0.071476 0.194329 P\n0.250000 0.571476 0.305671 P\n0.750000 0.227314 0.554578 P\n0.750000 0.272686 0.054578 P\n0.250000 0.928524 0.805671 P\n0.750000 0.428524 0.694329 P\n0.750000 0.582416 0.698598 O\n0.250000 0.725009 0.048152 O\n0.511481 0.160600 0.596756 O\n0.250000 0.887967 0.914114 O\n0.250000 0.082416 0.801402 O\n0.991889 0.136432 0.235019 O\n0.508111 0.136432 0.235019 O\n0.008111 0.636432 0.264981 O\n0.988519 0.339400 0.096756 O\n0.250000 0.774991 0.548152 O\n0.508111 0.363568 0.735019 O\n0.750000 0.917584 0.198598 O\n0.991889 0.363568 0.735019 O\n0.511481 0.339400 0.096756 O\n0.750000 0.225009 0.451848 O\n0.488519 0.839400 0.403244 O\n0.750000 0.274991 0.951848 O\n0.250000 0.417584 0.301402 O\n0.250000 0.612033 0.414114 O\n0.011481 0.839400 0.403244 O\n0.988519 0.160600 0.596756 O\n0.750000 0.387967 0.585886 O\n0.008111 0.863568 0.764981 O\n0.488519 0.660600 0.903244 O\n0.491889 0.636432 0.264981 O\n0.011481 0.660600 0.903244 O\n0.491889 0.863568 0.764981 O\n0.750000 0.112033 0.085886 O\n",
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{
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"structure_string": "Yb2 Ti2 O6\n1.0\n5.212118 -2.649381 0.000000\n5.212118 2.649381 0.000000\n3.865406 0.000000 4.386802\nYb Ti O\n2 2 6\ndirect\n0.361143 0.361143 0.361143 Yb\n0.638857 0.638857 0.638857 Yb\n0.148246 0.148246 0.148246 Ti\n0.851754 0.851754 0.851754 Ti\n0.434648 0.810313 0.026183 O\n0.810313 0.026183 0.434648 O\n0.026183 0.434648 0.810313 O\n0.973817 0.565352 0.189687 O\n0.189687 0.973817 0.565352 O\n0.565352 0.189687 0.973817 O\n",
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"formula_full": "Yb2 Ti2 O6",
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{
"id": "mp-1194302",
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"structure_string": "Cs12 Fe4 Se12\n1.0\n3.797968 -10.186223 0.000000\n3.797968 10.186223 0.000000\n0.000000 0.000000 14.002865\nCs Fe Se\n12 4 12\ndirect\n0.876046 0.876046 0.690624 Cs\n0.123954 0.123954 0.309376 Cs\n0.623954 0.623954 0.190624 Cs\n0.376046 0.376046 0.809376 Cs\n0.178797 0.532635 0.123364 Cs\n0.467365 0.821203 0.876636 Cs\n0.967365 0.321203 0.623364 Cs\n0.678797 0.032635 0.376636 Cs\n0.821203 0.467365 0.876636 Cs\n0.532635 0.178797 0.123364 Cs\n0.032635 0.678797 0.376636 Cs\n0.321203 0.967365 0.623364 Cs\n0.922456 0.077544 0.000000 Fe\n0.422456 0.577544 0.500000 Fe\n0.077544 0.922456 0.000000 Fe\n0.577544 0.422456 0.500000 Fe\n0.274138 0.274138 0.559353 Se\n0.725862 0.725862 0.440647 Se\n0.225862 0.225862 0.059353 Se\n0.774138 0.774138 0.940647 Se\n0.727898 0.015325 0.123080 Se\n0.984675 0.272102 0.876920 Se\n0.484675 0.772102 0.623080 Se\n0.227898 0.515325 0.376920 Se\n0.272102 0.984675 0.876920 Se\n0.015325 0.727898 0.123080 Se\n0.515325 0.227898 0.376920 Se\n0.772102 0.484675 0.623080 Se\n",
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"volume": 1083.4562480739326,
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"formula_full": "Cs12 Fe4 Se12",
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{
"id": "mp-1196192",
"created_at": "2022-09-04T14:42:51.789734Z",
"structure_string": "U4 Cl8 O52\n1.0\n18.944725 0.000000 0.000000\n0.000000 5.791540 0.000000\n0.000000 0.669261 10.463594\nU Cl O\n4 8 52\ndirect\n0.139420 0.510583 0.823574 U\n0.639420 0.489417 0.676426 U\n0.860580 0.489417 0.176426 U\n0.360580 0.510583 0.323574 U\n0.965447 0.240709 0.772952 Cl\n0.465447 0.759291 0.727048 Cl\n0.034553 0.759291 0.227048 Cl\n0.534553 0.240709 0.272952 Cl\n0.313625 0.251190 0.889628 Cl\n0.813625 0.748810 0.610372 Cl\n0.686375 0.748810 0.110372 Cl\n0.186375 0.251190 0.389628 Cl\n0.151909 0.266722 0.720615 O\n0.651909 0.733278 0.779385 O\n0.848091 0.733278 0.279385 O\n0.348091 0.266722 0.220615 O\n0.131841 0.795490 0.894278 O\n0.631841 0.204510 0.605722 O\n0.868159 0.204510 0.105722 O\n0.368159 0.795490 0.394278 O\n0.262184 0.443364 0.904940 O\n0.762184 0.556636 0.595060 O\n0.737816 0.556636 0.095060 O\n0.237816 0.443364 0.404940 O\n0.123412 0.328506 0.976366 O\n0.623412 0.671494 0.523634 O\n0.876588 0.671494 0.023634 O\n0.376588 0.328506 0.476366 O\n0.009585 0.436671 0.814248 O\n0.509585 0.563329 0.685752 O\n0.990415 0.563329 0.185752 O\n0.490415 0.436671 0.314248 O\n0.213146 0.712041 0.691770 O\n0.713146 0.287959 0.808230 O\n0.786854 0.287959 0.308230 O\n0.286854 0.712041 0.191770 O\n0.102768 0.711250 0.649013 O\n0.602768 0.288750 0.850987 O\n0.897232 0.288750 0.350987 O\n0.397232 0.711250 0.149013 O\n0.319700 0.207572 0.754997 O\n0.819700 0.792428 0.745003 O\n0.680300 0.792428 0.245003 O\n0.180300 0.207572 0.254997 O\n0.380334 0.321566 0.940213 O\n0.880334 0.678434 0.559787 O\n0.619666 0.678434 0.059787 O\n0.119666 0.321566 0.440213 O\n0.892730 0.300371 0.792630 O\n0.392730 0.699629 0.707370 O\n0.107270 0.699629 0.207370 O\n0.607270 0.300371 0.292630 O\n0.287180 0.041505 0.956948 O\n0.787180 0.958495 0.543052 O\n0.712820 0.958495 0.043052 O\n0.212820 0.041505 0.456948 O\n0.980781 0.204410 0.640043 O\n0.480781 0.795590 0.859957 O\n0.019219 0.795590 0.359957 O\n0.519219 0.204410 0.140043 O\n0.984824 0.029354 0.848195 O\n0.484824 0.970646 0.651805 O\n0.015176 0.970646 0.151805 O\n0.515176 0.029354 0.348195 O\n",
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"formula_full": "U4 Cl8 O52",
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},
{
"id": "mp-1177331",
"created_at": "2022-09-04T14:42:51.790913Z",
"structure_string": "Li4 Mn1 Cr1 O6\n1.0\n5.004459 -0.022097 0.012286\n-2.476876 -4.348580 0.012329\n-0.860803 1.488541 -4.816364\nLi Mn Cr O\n4 1 1 6\ndirect\n0.001603 0.498396 0.000000 Li\n0.503303 0.996700 0.499999 Li\n0.658724 0.841279 0.999999 Li\n0.338139 0.161864 0.999999 Li\n0.832104 0.667896 0.499999 Mn\n0.170768 0.329242 0.500001 Cr\n0.782185 0.283463 0.272709 O\n0.216530 0.717803 0.727289 O\n0.429230 0.570631 0.272209 O\n0.929366 0.070771 0.727797 O\n0.574334 0.436283 0.722491 O\n0.063713 0.925671 0.277509 O\n",
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{
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"structure_string": "Ge8\n1.0\n-3.523808 3.523808 3.523808\n3.523808 -3.523808 3.523808\n3.523808 3.523808 -3.523808\nGe\n8\ndirect\n0.500000 0.000000 0.798226 Ge\n0.798226 0.500000 0.000000 Ge\n0.000000 0.798226 0.500000 Ge\n0.701774 0.701774 0.701774 Ge\n0.500000 0.000000 0.201774 Ge\n0.201774 0.500000 0.000000 Ge\n0.000000 0.201774 0.500000 Ge\n0.298226 0.298226 0.298226 Ge\n",
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{
"id": "mp-29469",
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"structure_string": "Pd2 Se12 Cl4\n1.0\n8.602347 0.000000 0.000000\n0.000000 4.953765 0.000000\n0.000000 2.833958 12.964018\nPd Se Cl\n2 12 4\ndirect\n0.500000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.121262 0.179708 0.352818 Se\n0.878738 0.820292 0.647182 Se\n0.368776 0.005456 0.139477 Se\n0.378738 0.179708 0.852818 Se\n0.631224 0.994544 0.860523 Se\n0.131224 0.005456 0.639477 Se\n0.732271 0.160917 0.006616 Se\n0.232271 0.839083 0.493384 Se\n0.267729 0.839083 0.993384 Se\n0.767729 0.160917 0.506616 Se\n0.868776 0.994544 0.360523 Se\n0.621262 0.820292 0.147182 Se\n0.536654 0.645783 0.644448 Cl\n0.036654 0.354217 0.855552 Cl\n0.463346 0.354217 0.355552 Cl\n0.963346 0.645783 0.144448 Cl\n",
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"formula_full": "Pd2 Se12 Cl4",
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{
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"structure_string": "K24 Si12 O36\n1.0\n13.268918 0.000000 0.000000\n0.000000 6.330320 0.000000\n0.000000 4.906846 15.178420\nK Si O\n24 12 36\ndirect\n0.665840 0.947990 0.512351 K\n0.599431 0.497320 0.418252 K\n0.900569 0.497320 0.918252 K\n0.400569 0.502680 0.581748 K\n0.334160 0.052010 0.487649 K\n0.834160 0.947990 0.012351 K\n0.099431 0.502680 0.081748 K\n0.165840 0.052010 0.987649 K\n0.417451 0.224552 0.025744 K\n0.917451 0.775448 0.474256 K\n0.582549 0.775448 0.974256 K\n0.082549 0.224552 0.525744 K\n0.182803 0.377530 0.297593 K\n0.682803 0.622470 0.202407 K\n0.817197 0.622470 0.702407 K\n0.317197 0.377530 0.797593 K\n0.487871 0.140342 0.285432 K\n0.987871 0.859658 0.214568 K\n0.512129 0.859658 0.714568 K\n0.012129 0.140342 0.785432 K\n0.369270 0.595162 0.135632 K\n0.869270 0.404838 0.364368 K\n0.630730 0.404838 0.864368 K\n0.130730 0.595162 0.635632 K\n0.236917 0.958680 0.207305 Si\n0.736917 0.041320 0.292695 Si\n0.763083 0.041320 0.792695 Si\n0.263083 0.958680 0.707305 Si\n0.364521 0.658994 0.359744 Si\n0.864521 0.341006 0.140256 Si\n0.635479 0.341006 0.640256 Si\n0.135479 0.658994 0.859744 Si\n0.142565 0.771883 0.391284 Si\n0.642565 0.228117 0.108716 Si\n0.857435 0.228117 0.608716 Si\n0.357435 0.771883 0.891284 Si\n0.258197 0.210964 0.146680 O\n0.758197 0.789036 0.353320 O\n0.741803 0.789036 0.853320 O\n0.241803 0.210964 0.646680 O\n0.249766 0.620271 0.409021 O\n0.749766 0.379729 0.090979 O\n0.750234 0.379729 0.590979 O\n0.250234 0.620271 0.909021 O\n0.128169 0.897637 0.464590 O\n0.628169 0.102363 0.035410 O\n0.871831 0.102363 0.535410 O\n0.371831 0.897637 0.964590 O\n0.397698 0.423218 0.348674 O\n0.897698 0.576782 0.151326 O\n0.602302 0.576782 0.651326 O\n0.102302 0.423218 0.848674 O\n0.344936 0.843179 0.258059 O\n0.060360 0.768177 0.914905 O\n0.655064 0.156821 0.741941 O\n0.155064 0.843179 0.758059 O\n0.161695 0.967027 0.292374 O\n0.661695 0.032973 0.207626 O\n0.838305 0.032973 0.707626 O\n0.338305 0.967027 0.792374 O\n0.052186 0.606465 0.382510 O\n0.552186 0.393535 0.117490 O\n0.947814 0.393535 0.617490 O\n0.447814 0.606465 0.882510 O\n0.187560 0.791165 0.159177 O\n0.687560 0.208835 0.340823 O\n0.812440 0.208835 0.840823 O\n0.312440 0.791165 0.659177 O\n0.439640 0.768177 0.414905 O\n0.939640 0.231823 0.085095 O\n0.560360 0.231823 0.585095 O\n0.844936 0.156821 0.241941 O\n",
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