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{
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{
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{
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"structure_string": "Na10 Ni4 P4 C4 O28\n1.0\n5.175700 0.000000 0.000000\n0.246996 8.880308 0.000000\n0.005484 0.037474 13.321282\nNa Ni P C O\n10 4 4 4 28\ndirect\n0.774276 0.080986 0.125525 Na\n0.249005 0.263091 0.743498 Na\n0.242581 0.253625 0.507499 Na\n0.250786 0.265982 0.245166 Na\n0.254498 0.271901 0.003344 Na\n0.757419 0.746375 0.492501 Na\n0.750995 0.736909 0.256502 Na\n0.745502 0.728099 0.996656 Na\n0.749214 0.734018 0.754834 Na\n0.225724 0.919014 0.874475 Na\n0.776694 0.348749 0.376747 Ni\n0.777852 0.347428 0.874075 Ni\n0.223306 0.651251 0.623253 Ni\n0.222148 0.652572 0.125925 Ni\n0.718943 0.422454 0.624761 P\n0.716202 0.416598 0.125275 P\n0.281057 0.577546 0.375239 P\n0.283798 0.583402 0.874725 P\n0.713887 0.077025 0.375756 C\n0.714526 0.064650 0.874868 C\n0.285474 0.935350 0.125132 C\n0.286113 0.922975 0.624244 C\n0.306444 0.063316 0.627597 O\n0.310931 0.079091 0.123384 O\n0.938155 0.141124 0.376372 O\n0.941653 0.123757 0.875646 O\n0.518299 0.172811 0.376425 O\n0.514079 0.156788 0.874208 O\n0.788601 0.316284 0.217675 O\n0.783696 0.328478 0.719261 O\n0.784692 0.325909 0.531936 O\n0.790161 0.318757 0.032061 O\n0.138620 0.426252 0.376643 O\n0.143582 0.432526 0.873302 O\n0.418714 0.460557 0.625232 O\n0.418271 0.449447 0.124594 O\n0.581286 0.539443 0.374768 O\n0.581729 0.550553 0.875406 O\n0.856418 0.567474 0.126698 O\n0.861380 0.573748 0.623357 O\n0.209839 0.681243 0.967939 O\n0.211399 0.683716 0.782325 O\n0.215308 0.674091 0.468064 O\n0.216304 0.671522 0.280739 O\n0.481701 0.827189 0.623575 O\n0.485921 0.843212 0.125792 O\n0.058347 0.876243 0.124354 O\n0.061845 0.858876 0.623628 O\n0.689069 0.920909 0.876616 O\n0.693556 0.936684 0.372403 O\n",
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"formula_full": "Na10 Ni4 P4 C4 O28",
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{
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"structure_string": "Ti100\n1.0\n11.902415 0.205527 -0.094095\n0.208385 12.429398 0.385047\n-0.082862 0.388372 11.903778\nTi\n100\ndirect\n0.086608 0.126241 0.660658 Ti\n0.694332 0.816980 0.054861 Ti\n0.345882 0.640606 0.154472 Ti\n0.388011 0.476711 0.324926 Ti\n0.509552 0.155111 0.575218 Ti\n0.558452 0.710131 0.217870 Ti\n0.455555 0.558417 0.686023 Ti\n0.165355 0.517408 0.809301 Ti\n0.923265 0.707158 0.965441 Ti\n0.802982 0.792142 0.271984 Ti\n0.040857 0.116395 0.291930 Ti\n0.872924 0.736197 0.582540 Ti\n0.147935 0.784516 0.532352 Ti\n0.519139 0.317592 0.727975 Ti\n0.243881 0.612659 0.616209 Ti\n0.568170 0.322768 0.300974 Ti\n0.802825 0.027262 0.264673 Ti\n0.326029 0.176534 0.984889 Ti\n0.288082 0.769592 0.814254 Ti\n0.751612 0.319323 0.477509 Ti\n0.893735 0.116671 0.088589 Ti\n0.678633 0.644600 0.954750 Ti\n0.427387 0.950572 0.733614 Ti\n0.261302 0.126161 0.240266 Ti\n0.107159 0.027689 0.089149 Ti\n0.563007 0.421507 0.523417 Ti\n0.693416 0.221179 0.144499 Ti\n0.797697 0.917604 0.467178 Ti\n0.542982 0.503366 0.105880 Ti\n0.350266 0.417815 0.568192 Ti\n0.168476 0.661668 0.985258 Ti\n0.911705 0.969090 0.679036 Ti\n0.774076 0.442919 0.951880 Ti\n0.125936 0.255784 0.104326 Ti\n0.393766 0.577650 0.916225 Ti\n0.164194 0.315401 0.314834 Ti\n0.376094 0.266042 0.407765 Ti\n0.677571 0.706441 0.426553 Ti\n0.457076 0.629606 0.465856 Ti\n0.494416 0.134533 0.136227 Ti\n0.755704 0.414007 0.178149 Ti\n0.203738 0.931068 0.350897 Ti\n0.591285 0.928900 0.230826 Ti\n0.791571 0.613208 0.156391 Ti\n0.471654 0.976016 0.969459 Ti\n0.452341 0.761809 0.012379 Ti\n0.882584 0.120941 0.491848 Ti\n0.364713 0.939150 0.140063 Ti\n0.535724 0.131266 0.833727 Ti\n0.628282 0.527709 0.323760 Ti\n0.844709 0.594261 0.775229 Ti\n0.904986 0.215433 0.711668 Ti\n0.311496 0.167053 0.716772 Ti\n0.054625 0.888927 0.892165 Ti\n0.688650 0.042030 0.038890 Ti\n0.845472 0.019584 0.880136 Ti\n0.862564 0.254018 0.296268 Ti\n0.151519 0.487620 0.436682 Ti\n0.738900 0.369217 0.715025 Ti\n0.562350 0.904907 0.461930 Ti\n0.336558 0.006935 0.529452 Ti\n0.519117 0.746621 0.803444 Ti\n0.010506 0.547285 0.601829 Ti\n0.811378 0.801326 0.805086 Ti\n0.189056 0.929607 0.686181 Ti\n0.937109 0.296259 0.988219 Ti\n0.152979 0.341358 0.631639 Ti\n0.167358 0.827311 0.130502 Ti\n0.401243 0.830582 0.341792 Ti\n0.370791 0.320602 0.165158 Ti\n0.602180 0.514274 0.821741 Ti\n0.248124 0.986746 0.902771 Ti\n0.771467 0.536159 0.564061 Ti\n0.718955 0.147201 0.664982 Ti\n0.233960 0.440884 0.017134 Ti\n0.650560 0.709493 0.647949 Ti\n0.231084 0.689172 0.351630 Ti\n0.003980 0.507039 0.987495 Ti\n0.911246 0.893946 0.086006 Ti\n0.388520 0.791810 0.585944 Ti\n0.050077 0.712343 0.758611 Ti\n0.001875 0.884006 0.290347 Ti\n0.640749 0.930275 0.853018 Ti\n0.038941 0.970090 0.495291 Ti\n0.862522 0.507492 0.362244 Ti\n0.154093 0.290739 0.859308 Ti\n0.349400 0.374152 0.825861 Ti\n0.012529 0.676351 0.174830 Ti\n-0.000036 0.675031 0.400281 Ti\n0.978364 0.329289 0.494799 Ti\n0.742584 0.226243 0.896871 Ti\n0.658531 0.944625 0.643216 Ti\n0.537981 0.318134 0.976912 Ti\n0.044942 0.112333 0.882458 Ti\n0.176133 0.520027 0.212394 Ti\n0.982725 0.417680 0.195696 Ti\n0.182826 0.167744 0.478033 Ti\n0.659340 0.124949 0.408358 Ti\n0.445893 0.063635 0.345627 Ti\n0.962124 0.402618 0.780679 Ti\n",
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"spacegroup": 1
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{
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"structure_string": "Hg1 Te1\n1.0\n0.000000 3.077117 3.077117\n3.077117 0.000000 3.077117\n3.077117 3.077117 0.000000\nHg Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Te\n",
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{
"id": "mp-774578",
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"structure_string": "Li8 Ti8 Mn8 Fe2 O36\n1.0\n2.963243 0.000000 0.000000\n0.000000 9.189320 0.000000\n0.000000 0.000000 25.174362\nLi Ti Mn Fe O\n8 8 8 2 36\ndirect\n0.000000 0.689272 0.998136 Li\n0.000000 0.706400 0.194519 Li\n0.000000 0.793600 0.694519 Li\n0.000000 0.810728 0.498136 Li\n0.000000 0.189272 0.501864 Li\n0.000000 0.206400 0.305481 Li\n0.000000 0.293600 0.805481 Li\n0.000000 0.310728 0.001864 Li\n0.000000 0.504811 0.103650 Ti\n0.500000 0.645289 0.804998 Ti\n0.500000 0.854711 0.304998 Ti\n0.000000 0.995189 0.603650 Ti\n0.000000 0.004811 0.396350 Ti\n0.500000 0.145289 0.695002 Ti\n0.500000 0.354711 0.195002 Ti\n0.000000 0.495189 0.896350 Ti\n0.000000 0.517837 0.314651 Mn\n0.500000 0.642886 0.587006 Mn\n0.500000 0.857114 0.087006 Mn\n0.000000 0.982163 0.814651 Mn\n0.000000 0.017837 0.185349 Mn\n0.500000 0.142886 0.912994 Mn\n0.500000 0.357114 0.412994 Mn\n0.000000 0.482163 0.685349 Mn\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.496733 0.419752 O\n0.000000 0.503267 0.580248 O\n0.500000 0.538698 0.941264 O\n0.500000 0.551087 0.161677 O\n0.500000 0.615742 0.662837 O\n0.000000 0.613154 0.757038 O\n0.500000 0.653633 0.508731 O\n0.500000 0.643265 0.291550 O\n0.000000 0.677255 0.857443 O\n0.000000 0.712460 0.088645 O\n0.000000 0.787540 0.588645 O\n0.000000 0.822745 0.357443 O\n0.500000 0.856735 0.791550 O\n0.500000 0.846367 0.008731 O\n0.000000 0.886846 0.257038 O\n0.500000 0.884258 0.162837 O\n0.500000 0.948913 0.661677 O\n0.500000 0.961302 0.441264 O\n0.000000 0.996733 0.080248 O\n0.000000 0.003267 0.919752 O\n0.500000 0.038698 0.558736 O\n0.500000 0.051087 0.338323 O\n0.500000 0.115742 0.837163 O\n0.000000 0.113154 0.742962 O\n0.500000 0.153633 0.991269 O\n0.500000 0.143265 0.208450 O\n0.000000 0.177255 0.642557 O\n0.000000 0.212460 0.411355 O\n0.000000 0.287540 0.911355 O\n0.000000 0.322745 0.142557 O\n0.500000 0.356735 0.708450 O\n0.500000 0.346367 0.491269 O\n0.000000 0.386846 0.242962 O\n0.500000 0.384258 0.337163 O\n0.500000 0.448913 0.838323 O\n0.500000 0.461302 0.058736 O\n",
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{
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"structure_string": "Eu2 Zn2 Ge2\n1.0\n4.322024 0.000000 0.000000\n0.000000 4.396792 0.000000\n0.000000 0.000000 7.591806\nEu Zn Ge\n2 2 2\ndirect\n0.750000 0.000000 0.767493 Eu\n0.250000 0.000000 0.232507 Eu\n0.750000 0.500000 0.424368 Zn\n0.250000 0.500000 0.575632 Zn\n0.750000 0.500000 0.093506 Ge\n0.250000 0.500000 0.906494 Ge\n",
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{
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"structure_string": "Li2 La4 Re2 O12\n1.0\n5.781291 0.000000 0.000000\n0.000000 5.563772 0.000000\n0.000000 5.476383 7.944750\nLi La Re O\n2 4 2 12\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.552457 0.734982 0.753078 La\n0.947543 0.734982 0.253078 La\n0.447543 0.265018 0.246922 La\n0.052457 0.265018 0.746922 La\n0.500000 0.000000 0.000000 Re\n0.000000 0.000000 0.500000 Re\n0.718379 0.239095 0.450425 O\n0.781621 0.239095 0.950425 O\n0.281621 0.760905 0.549575 O\n0.218379 0.760905 0.049575 O\n0.805659 0.666148 0.544531 O\n0.694341 0.666148 0.044531 O\n0.194341 0.333852 0.455469 O\n0.305659 0.333852 0.955469 O\n0.974474 0.846617 0.741282 O\n0.525526 0.846617 0.241282 O\n0.025526 0.153383 0.258718 O\n0.474474 0.153383 0.758718 O\n",
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