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{
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{
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{
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{
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{
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"structure_string": "Tm8 Fe2\n1.0\n0.000000 5.187363 5.187363\n5.187363 0.000000 5.187363\n5.187363 5.187363 0.000000\nTm Fe\n8 2\ndirect\n0.384951 0.384951 0.384951 Tm\n0.384951 0.384951 0.845148 Tm\n0.384951 0.845148 0.384951 Tm\n0.865049 0.865049 0.404852 Tm\n0.865049 0.865049 0.865049 Tm\n0.845148 0.384951 0.384951 Tm\n0.865049 0.404852 0.865049 Tm\n0.404852 0.865049 0.865049 Tm\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Fe\n",
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"formula_full": "Tm8 Fe2",
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{
"id": "mp-1196113",
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"structure_string": "Tl8 P8 H16 O32\n1.0\n-6.627533 0.000000 0.000000\n-0.081544 -9.163148 0.000000\n0.572958 4.474479 14.473957\nTl P H O\n8 8 16 32\ndirect\n0.731483 0.930383 0.862822 Tl\n0.268517 0.069617 0.137178 Tl\n0.282462 0.557554 0.624529 Tl\n0.717538 0.442446 0.375471 Tl\n0.746333 0.442319 0.877004 Tl\n0.253667 0.557681 0.122996 Tl\n0.230928 0.058837 0.634214 Tl\n0.769072 0.941163 0.365786 Tl\n0.758345 0.822842 0.623979 P\n0.241655 0.177158 0.376021 P\n0.229099 0.707086 0.879163 P\n0.770901 0.292914 0.120837 P\n0.767531 0.324023 0.622102 P\n0.232469 0.675977 0.377898 P\n0.235527 0.200747 0.870793 P\n0.764473 0.799253 0.129207 P\n0.977513 0.737086 0.509353 H\n0.022487 0.262914 0.490647 H\n0.521457 0.773738 0.507456 H\n0.478543 0.226262 0.492544 H\n0.988980 0.764246 0.014522 H\n0.011020 0.235754 0.985478 H\n0.524191 0.748737 0.010361 H\n0.475809 0.251263 0.989639 H\n0.258694 0.451020 0.816449 H\n0.741306 0.548980 0.183551 H\n0.742795 0.124493 0.680190 H\n0.257205 0.875507 0.319810 H\n0.231640 0.897850 0.814044 H\n0.768360 0.102150 0.185956 H\n0.753608 0.579038 0.685462 H\n0.246392 0.420962 0.314538 H\n0.935346 0.718430 0.570961 O\n0.064654 0.281570 0.429039 O\n0.840441 0.977049 0.685168 O\n0.159559 0.022951 0.314832 O\n0.613428 0.861401 0.548064 O\n0.386572 0.138599 0.451936 O\n0.651814 0.728380 0.676539 O\n0.348186 0.271620 0.323461 O\n0.039132 0.668082 0.922336 O\n0.960868 0.331918 0.077664 O\n0.163283 0.793018 0.805516 O\n0.836717 0.206982 0.194484 O\n0.386244 0.802596 0.947940 O\n0.613756 0.197404 0.052060 O\n0.329690 0.553566 0.818059 O\n0.670310 0.446434 0.181941 O\n0.961736 0.248183 0.579942 O\n0.038264 0.751817 0.420058 O\n0.818937 0.483816 0.697235 O\n0.181063 0.516184 0.302765 O\n0.609712 0.350378 0.552140 O\n0.390288 0.649622 0.447860 O\n0.673545 0.227683 0.682379 O\n0.326455 0.772317 0.317621 O\n0.043936 0.162056 0.920317 O\n0.956064 0.837944 0.079683 O\n0.172590 0.298917 0.808854 O\n0.827410 0.701083 0.191146 O\n0.383075 0.302938 0.950152 O\n0.616925 0.697062 0.049848 O\n0.332653 0.048521 0.819759 O\n0.667347 0.951479 0.180241 O\n",
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{
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{
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{
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"structure_string": "Ca2 La1 Nd1 Mn4 O12\n1.0\n7.690881 0.000000 0.000000\n0.000000 5.480611 0.000000\n0.000000 0.010145 5.495294\nCa La Nd Mn O\n2 1 1 4 12\ndirect\n0.500000 0.494107 0.534046 Ca\n0.000000 0.994363 0.967140 Ca\n0.000000 0.506682 0.472548 La\n0.500000 0.007239 0.035425 Nd\n0.251393 0.000087 0.501278 Mn\n0.749177 0.500439 0.999151 Mn\n0.748607 0.000087 0.501278 Mn\n0.250823 0.500439 0.999151 Mn\n0.211893 0.786068 0.213964 O\n0.785010 0.717019 0.716624 O\n0.711228 0.215948 0.784435 O\n0.292444 0.283004 0.282798 O\n0.288772 0.215948 0.784435 O\n0.707556 0.283004 0.282798 O\n0.788107 0.786068 0.213964 O\n0.214990 0.717019 0.716624 O\n0.500000 0.923913 0.481813 O\n0.500000 0.575760 0.984127 O\n0.000000 0.067995 0.516149 O\n0.000000 0.424807 0.012253 O\n",
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}