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{
"id": "mp-1189635",
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"structure_string": "Zn3 Sn3 Se9 N1 O4\n1.0\n7.636847 0.000000 0.000000\n-0.778007 7.805969 0.000000\n-3.259793 -3.078324 9.199136\nZn Sn Se N O\n3 3 9 1 4\ndirect\n0.289307 0.766752 0.310603 Zn\n0.901516 0.814449 0.945224 Zn\n0.119557 0.283628 0.598036 Zn\n0.601724 0.516826 0.545672 Sn\n0.320535 0.202371 0.085120 Sn\n0.724634 0.577025 0.200234 Sn\n0.978268 0.829845 0.207368 Se\n0.414149 0.176862 0.414061 Se\n0.712730 0.507953 0.809909 Se\n0.240149 0.847609 0.942438 Se\n0.918072 0.594618 0.489407 Se\n0.394121 0.748881 0.549727 Se\n0.667473 0.241360 0.053765 Se\n0.992594 0.287595 0.828832 Se\n0.472332 0.804082 0.160216 Se\n0.867978 0.044403 0.912971 N\n0.303662 0.167878 0.541656 O\n0.925478 0.134875 0.659553 O\n0.971990 0.379189 0.450627 O\n0.177860 0.417860 0.812200 O\n",
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{
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{
"id": "mp-771658",
"created_at": "2022-09-04T14:48:06.164943Z",
"structure_string": "Li4 Ni2 H24 S4 O28\n1.0\n11.840401 0.000000 0.000000\n0.000000 5.850366 0.000000\n0.000000 1.658817 8.439528\nLi Ni H S O\n4 2 24 4 28\ndirect\n0.378526 0.654420 0.164094 Li\n0.878526 0.345580 0.335906 Li\n0.121474 0.654420 0.664094 Li\n0.621474 0.345580 0.835906 Li\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.805551 0.029157 0.139866 H\n0.848435 0.651872 0.032760 H\n0.060062 0.348806 0.106740 H\n0.394166 0.075090 0.228131 H\n0.629665 0.088554 0.245465 H\n0.087128 0.676476 0.212973 H\n0.587128 0.323524 0.287027 H\n0.129665 0.911446 0.254535 H\n0.894166 0.924910 0.271869 H\n0.560062 0.651194 0.393260 H\n0.348435 0.348128 0.467240 H\n0.305551 0.970843 0.360134 H\n0.694449 0.029157 0.639866 H\n0.651565 0.651872 0.532760 H\n0.439938 0.348806 0.606740 H\n0.105834 0.075090 0.728131 H\n0.870335 0.088554 0.745465 H\n0.412872 0.676476 0.712973 H\n0.912872 0.323524 0.787027 H\n0.370335 0.911446 0.754535 H\n0.605834 0.924910 0.771869 H\n0.939938 0.651194 0.893260 H\n0.151565 0.348128 0.967240 H\n0.194449 0.970843 0.860134 H\n0.632742 0.719077 0.077299 S\n0.132742 0.280923 0.422701 S\n0.867258 0.719077 0.577299 S\n0.367258 0.280923 0.922701 S\n0.408213 0.302634 0.082780 O\n0.927968 0.691030 0.998442 O\n0.880992 0.059634 0.181919 O\n0.731622 0.563938 0.122018 O\n0.662413 0.967612 0.078884 O\n0.115042 0.832137 0.164485 O\n0.540893 0.641282 0.196309 O\n0.040893 0.358718 0.303691 O\n0.615042 0.167863 0.335515 O\n0.162413 0.032388 0.421116 O\n0.231622 0.436062 0.377982 O\n0.380992 0.940366 0.318081 O\n0.427968 0.308970 0.501558 O\n0.908213 0.697366 0.417220 O\n0.091787 0.302634 0.582780 O\n0.572032 0.691030 0.498442 O\n0.619008 0.059634 0.681919 O\n0.768378 0.563938 0.622018 O\n0.837587 0.967612 0.578884 O\n0.384958 0.832137 0.664485 O\n0.959107 0.641282 0.696309 O\n0.459107 0.358718 0.803691 O\n0.884958 0.167863 0.835515 O\n0.337587 0.032388 0.921116 O\n0.268378 0.436062 0.877982 O\n0.119008 0.940366 0.818081 O\n0.072032 0.308970 0.001558 O\n0.591787 0.697366 0.917220 O\n",
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"formula_full": "Li4 Ni2 H24 S4 O28",
"formula_reduced": "Li2NiH12(SO7)2",
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"spacegroup": 14
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{
"id": "mp-758859",
"created_at": "2022-09-04T14:48:06.172596Z",
"structure_string": "Co4 O4 F4\n1.0\n4.480373 0.000000 0.000000\n0.000000 4.480373 0.000000\n0.000000 0.000000 6.085983\nCo O F\n4 4 4\ndirect\n0.471936 0.471936 0.000000 Co\n0.528064 0.528064 0.500000 Co\n0.028064 0.971936 0.250000 Co\n0.971936 0.028064 0.750000 Co\n0.680043 0.319957 0.750000 O\n0.819957 0.819957 0.500000 O\n0.180043 0.180043 0.000000 O\n0.319957 0.680043 0.250000 O\n0.721670 0.278330 0.250000 F\n0.778330 0.778330 0.000000 F\n0.221670 0.221670 0.500000 F\n0.278330 0.721670 0.750000 F\n",
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"formula_full": "Co4 O4 F4",
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{
"id": "mp-1245911",
"created_at": "2022-09-04T14:48:06.230225Z",
"structure_string": "Sr8 Ca4 N8\n1.0\n7.027855 0.900953 0.000000\n12.140329 5.806569 0.000000\n0.000000 0.000000 18.678414\nSr Ca N\n8 4 8\ndirect\n0.000000 0.528409 0.858245 Sr\n0.000000 0.471591 0.141755 Sr\n0.000000 0.971591 0.358245 Sr\n0.000000 0.028409 0.641755 Sr\n0.000000 0.142578 0.983756 Sr\n0.000000 0.857422 0.016244 Sr\n0.000000 0.357422 0.483756 Sr\n0.000000 0.642578 0.516244 Sr\n0.000000 0.305089 0.658409 Ca\n0.000000 0.694911 0.341591 Ca\n0.000000 0.194911 0.158409 Ca\n0.000000 0.805089 0.841591 Ca\n0.000000 0.454920 0.607671 N\n0.000000 0.545080 0.392329 N\n0.000000 0.045080 0.107671 N\n0.000000 0.954920 0.892329 N\n0.000000 0.189443 0.575862 N\n0.000000 0.810557 0.424138 N\n0.000000 0.310557 0.075862 N\n0.000000 0.689443 0.924138 N\n",
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{
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"structure_string": "Tb8 Si20 Os12\n1.0\n10.747545 0.000000 0.000000\n0.000000 10.747545 0.000000\n0.000000 0.000000 5.699528\nTb Si Os\n8 20 12\ndirect\n0.764506 0.929504 0.500000 Tb\n0.429504 0.264506 0.000000 Tb\n0.264506 0.570496 0.000000 Tb\n0.570496 0.735494 0.000000 Tb\n0.235494 0.070496 0.500000 Tb\n0.070496 0.764506 0.500000 Tb\n0.735494 0.429504 0.000000 Tb\n0.929504 0.235494 0.500000 Tb\n0.500000 0.500000 0.743199 Si\n0.973776 0.320076 0.000000 Si\n0.026224 0.679924 0.000000 Si\n0.672839 0.172839 0.250000 Si\n0.672839 0.172839 0.750000 Si\n0.327161 0.827161 0.750000 Si\n0.327161 0.827161 0.250000 Si\n0.320076 0.026224 0.000000 Si\n0.000000 0.000000 0.756801 Si\n0.500000 0.500000 0.256801 Si\n0.179924 0.526224 0.500000 Si\n0.526224 0.820076 0.500000 Si\n0.172839 0.327161 0.250000 Si\n0.679924 0.973776 0.000000 Si\n0.000000 0.000000 0.243199 Si\n0.473776 0.179924 0.500000 Si\n0.827161 0.672839 0.250000 Si\n0.820076 0.473776 0.500000 Si\n0.172839 0.327161 0.750000 Si\n0.827161 0.672839 0.750000 Si\n0.353443 0.374398 0.500000 Os\n0.500000 0.000000 0.750000 Os\n0.853443 0.125602 0.000000 Os\n0.874398 0.853443 0.000000 Os\n0.000000 0.500000 0.250000 Os\n0.125602 0.146557 0.000000 Os\n0.646557 0.625602 0.500000 Os\n0.146557 0.874398 0.000000 Os\n0.374398 0.646557 0.500000 Os\n0.500000 0.000000 0.250000 Os\n0.625602 0.353443 0.500000 Os\n0.000000 0.500000 0.750000 Os\n",
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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": "Ba10 Bi2 Pb8 O30\n1.0\n3.072617 21.922340 0.000000\n-3.072617 21.922340 0.000000\n0.000000 0.880625 6.158883\nBa Bi Pb O\n10 2 8 30\ndirect\n0.351279 0.351279 0.145000 Ba\n0.549628 0.549628 0.943498 Ba\n0.950333 0.950333 0.543003 Ba\n0.750063 0.750063 0.748325 Ba\n0.148754 0.148754 0.349593 Ba\n0.450372 0.450372 0.056502 Ba\n0.648721 0.648721 0.855000 Ba\n0.049667 0.049667 0.456997 Ba\n0.851246 0.851246 0.650407 Ba\n0.249937 0.249937 0.251675 Ba\n0.300022 0.300022 0.698828 Bi\n0.699978 0.699978 0.301172 Bi\n0.099642 0.099642 0.902179 Pb\n0.500000 0.500000 0.500000 Pb\n0.900358 0.900358 0.097821 Pb\n0.400559 0.400559 0.600972 Pb\n0.800363 0.800363 0.200388 Pb\n0.199637 0.199637 0.799612 Pb\n0.599441 0.599441 0.399028 Pb\n0.000000 0.000000 0.000000 Pb\n0.142274 0.641900 0.857329 O\n0.344032 0.843594 0.656148 O\n0.742145 0.242240 0.257942 O\n0.540116 0.044403 0.460501 O\n0.942236 0.445908 0.059735 O\n0.156406 0.655968 0.343852 O\n0.358100 0.857726 0.142671 O\n0.757760 0.257855 0.742058 O\n0.554092 0.057764 0.940265 O\n0.955597 0.459884 0.539499 O\n0.641900 0.142274 0.857329 O\n0.843594 0.344032 0.656148 O\n0.242240 0.742145 0.257942 O\n0.044403 0.540116 0.460501 O\n0.445908 0.942236 0.059735 O\n0.655968 0.156406 0.343852 O\n0.857726 0.358100 0.142671 O\n0.257855 0.757760 0.742058 O\n0.057764 0.554092 0.940265 O\n0.459884 0.955597 0.539499 O\n0.349177 0.349177 0.588609 O\n0.749752 0.749752 0.190447 O\n0.150297 0.150297 0.786986 O\n0.549884 0.549884 0.379445 O\n0.949998 0.949998 0.980152 O\n0.250248 0.250248 0.809553 O\n0.650823 0.650823 0.411391 O\n0.050002 0.050002 0.019848 O\n0.450116 0.450116 0.620555 O\n0.849703 0.849703 0.213014 O\n",
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{
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}