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{
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"structure_string": "Lu6 Fe12 O24\n1.0\n-2.994087 -5.201923 0.349770\n-2.994087 5.201923 0.349770\n0.015102 0.000000 -16.906500\nLu Fe O\n6 12 24\ndirect\n0.745173 0.745173 0.239199 Lu\n0.254827 0.254827 0.760801 Lu\n0.085889 0.416300 0.253082 Lu\n0.416300 0.085889 0.253082 Lu\n0.914111 0.583700 0.746918 Lu\n0.583700 0.914111 0.746918 Lu\n0.690700 0.026061 0.070860 Fe\n0.026061 0.690700 0.070860 Fe\n0.309300 0.973939 0.929140 Fe\n0.973939 0.309300 0.929140 Fe\n0.138634 0.138634 0.426146 Fe\n0.861366 0.861366 0.573854 Fe\n0.354324 0.354324 0.070586 Fe\n0.645676 0.645676 0.929414 Fe\n0.478760 0.808839 0.428205 Fe\n0.808839 0.478760 0.428205 Fe\n0.521240 0.191161 0.571795 Fe\n0.191161 0.521240 0.571795 Fe\n0.202578 0.202578 0.552635 O\n0.797422 0.797422 0.447365 O\n0.387511 0.387511 0.190759 O\n0.612489 0.612489 0.809241 O\n0.694607 0.694607 0.065190 O\n0.305393 0.305393 0.934810 O\n0.014694 0.353314 0.055420 O\n0.353314 0.014694 0.055420 O\n0.985306 0.646686 0.944580 O\n0.646686 0.985306 0.944580 O\n0.769868 0.446581 0.310944 O\n0.446581 0.769868 0.310944 O\n0.230132 0.553419 0.689056 O\n0.553419 0.230132 0.689056 O\n0.090295 0.090295 0.308343 O\n0.909705 0.909705 0.691657 O\n0.144699 0.496770 0.440240 O\n0.496770 0.144699 0.440240 O\n0.855301 0.503230 0.559760 O\n0.503230 0.855301 0.559760 O\n0.073846 0.728399 0.188983 O\n0.728399 0.073846 0.188983 O\n0.926154 0.271601 0.811017 O\n0.271601 0.926154 0.811017 O\n",
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"formula_full": "Lu6 Fe12 O24",
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{
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"structure_string": "Li8 Cr2 P4 O18\n1.0\n3.384747 7.245277 0.000000\n-3.384747 7.245277 0.000000\n0.000000 0.030449 7.081591\nLi Cr P O\n8 2 4 18\ndirect\n0.902106 0.902106 0.738397 Li\n0.245953 0.754047 0.500000 Li\n0.754047 0.245953 0.500000 Li\n0.375089 0.375089 0.196256 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.624911 0.624911 0.803744 Li\n0.097894 0.097894 0.261603 Li\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.872870 0.872870 0.204411 P\n0.127130 0.127130 0.795589 P\n0.397637 0.397637 0.741859 P\n0.602363 0.602363 0.258141 P\n0.561706 0.178765 0.624513 O\n0.502591 0.502591 0.736306 O\n0.964796 0.964796 0.311513 O\n0.870543 0.870543 0.989722 O\n0.011036 0.623341 0.260864 O\n0.178765 0.561706 0.624513 O\n0.035204 0.035204 0.688487 O\n0.623341 0.011036 0.260864 O\n0.497409 0.497409 0.263694 O\n0.762090 0.762090 0.582105 O\n0.237910 0.237910 0.417895 O\n0.988964 0.376659 0.739136 O\n0.376658 0.988964 0.739136 O\n0.653267 0.653267 0.067961 O\n0.821235 0.438294 0.375487 O\n0.438294 0.821235 0.375487 O\n0.129457 0.129457 0.010278 O\n0.346733 0.346733 0.932039 O\n",
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"formula_full": "Li8 Cr2 P4 O18",
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"spacegroup": 12
},
{
"id": "mp-11037",
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"structure_string": "Lu1 Al8 Fe4\n1.0\n-4.326901 4.326901 2.506573\n4.326901 -4.326901 2.506573\n4.326901 4.326901 -2.506573\nLu Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.339167 0.339167 Al\n0.280644 0.500000 0.780644 Al\n0.500000 0.280644 0.780644 Al\n0.500000 0.719356 0.219356 Al\n0.719356 0.500000 0.219356 Al\n0.000000 0.660833 0.660833 Al\n0.339167 0.000000 0.339167 Al\n0.660833 0.000000 0.660833 Al\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n",
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"formula_full": "Lu1 Al8 Fe4",
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{
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"created_at": "2022-09-04T14:39:13.928361Z",
"structure_string": "Li4 V2 F12\n1.0\n2.715221 -4.848287 0.000000\n2.715221 4.848287 0.000000\n0.000000 0.000000 8.615227\nLi V F\n4 2 12\ndirect\n0.567928 0.432072 0.022637 Li\n0.730349 0.269651 0.530757 Li\n0.269651 0.730349 0.030757 Li\n0.432072 0.567928 0.522637 Li\n0.884189 0.115811 0.240338 V\n0.115811 0.884189 0.740338 V\n0.695980 0.304020 0.194118 F\n0.609148 0.921804 0.401012 F\n0.649652 0.834882 0.089735 F\n0.078196 0.390852 0.401012 F\n0.834882 0.649652 0.589735 F\n0.064245 0.935755 0.278516 F\n0.935755 0.064245 0.778516 F\n0.165118 0.350348 0.089735 F\n0.921804 0.609148 0.901012 F\n0.350348 0.165118 0.589735 F\n0.390852 0.078196 0.901012 F\n0.304020 0.695980 0.694118 F\n",
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"elements": [
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{
"id": "mp-766140",
"created_at": "2022-09-04T14:39:09.780519Z",
"structure_string": "K8 Li14 Mn4 O16\n1.0\n5.702699 0.000000 0.000000\n-0.001955 8.975290 0.000000\n-1.519305 -0.005684 10.821752\nK Li Mn O\n8 14 4 16\ndirect\n0.087092 0.005660 0.837067 K\n0.131559 0.756700 0.370340 K\n0.421831 0.501958 0.659762 K\n0.625646 0.747330 0.859756 K\n0.382240 0.252203 0.122656 K\n0.587216 0.500447 0.337200 K\n0.890258 0.252254 0.632964 K\n0.920007 0.003897 0.158430 K\n0.007131 0.507784 0.502096 Li\n0.096472 0.748152 0.693247 Li\n0.317715 0.482391 0.926504 Li\n0.190291 0.982832 0.572640 Li\n0.072840 0.478015 0.202257 Li\n0.414767 0.248951 0.808986 Li\n0.494751 0.989929 0.997238 Li\n0.576484 0.014635 0.696308 Li\n0.435453 0.980298 0.298286 Li\n0.597513 0.756082 0.193884 Li\n0.806599 0.012133 0.435501 Li\n0.932502 0.511385 0.804652 Li\n0.700944 0.511149 0.063724 Li\n0.912609 0.255641 0.307628 Li\n0.343667 0.209312 0.449294 Mn\n0.839437 0.279248 0.948753 Mn\n0.163513 0.707152 0.051407 Mn\n0.669142 0.781950 0.551708 Mn\n0.123878 0.318592 0.859185 O\n0.150326 0.688072 0.876936 O\n0.135981 0.055319 0.383691 O\n0.154310 0.410228 0.390986 O\n0.363941 0.188093 0.624302 O\n0.382192 0.819267 0.639685 O\n0.629948 0.455246 0.880731 O\n0.347976 0.905997 0.114140 O\n0.368281 0.550900 0.115268 O\n0.637596 0.083413 0.884426 O\n0.603038 0.182918 0.357384 O\n0.641676 0.818188 0.364405 O\n0.867337 0.587776 0.621870 O\n0.876283 0.959381 0.618672 O\n0.868236 0.317487 0.136323 O\n0.901314 0.681845 0.141730 O\n",
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"formula_full": "K8 Li14 Mn4 O16",
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{
"id": "mp-1203944",
"created_at": "2022-09-04T14:39:09.786267Z",
"structure_string": "Hg16 Cl8 O48\n1.0\n14.652319 0.000000 0.000000\n0.000000 7.388188 0.000000\n0.000000 2.175532 11.095634\nHg Cl O\n16 8 48\ndirect\n0.748545 0.525757 0.320522 Hg\n0.248545 0.974243 0.679478 Hg\n0.251455 0.474243 0.679478 Hg\n0.751455 0.025757 0.320522 Hg\n0.548821 0.300715 0.267190 Hg\n0.048821 0.199285 0.732810 Hg\n0.451179 0.699285 0.732810 Hg\n0.951179 0.800715 0.267190 Hg\n0.683352 0.592501 0.672972 Hg\n0.183352 0.907499 0.327028 Hg\n0.316648 0.407499 0.327028 Hg\n0.816648 0.092501 0.672972 Hg\n0.610533 0.663789 0.966614 Hg\n0.110533 0.836211 0.033386 Hg\n0.389467 0.336211 0.033386 Hg\n0.889467 0.163789 0.966614 Hg\n0.640923 0.149798 0.960117 Cl\n0.140923 0.350202 0.039883 Cl\n0.359077 0.850202 0.039883 Cl\n0.859077 0.649798 0.960117 Cl\n0.977289 0.258656 0.403372 Cl\n0.477289 0.241344 0.596628 Cl\n0.022711 0.741344 0.596628 Cl\n0.522711 0.758656 0.403372 Cl\n0.590298 0.282839 0.018324 O\n0.090298 0.217161 0.981676 O\n0.409702 0.717161 0.981676 O\n0.909702 0.782839 0.018324 O\n0.708413 0.254435 0.876711 O\n0.208413 0.245565 0.123289 O\n0.291587 0.745565 0.123289 O\n0.791587 0.754435 0.876711 O\n0.577844 0.055693 0.894352 O\n0.077844 0.444307 0.105648 O\n0.422156 0.944307 0.105648 O\n0.922156 0.555693 0.894352 O\n0.688650 0.018279 0.052342 O\n0.188650 0.481721 0.947658 O\n0.311350 0.981721 0.947658 O\n0.811350 0.518279 0.052342 O\n0.934628 0.397433 0.308695 O\n0.434628 0.102567 0.691305 O\n0.065372 0.602567 0.691305 O\n0.565372 0.897433 0.308695 O\n0.954400 0.303571 0.521173 O\n0.454400 0.196429 0.478827 O\n0.045600 0.696429 0.478827 O\n0.545600 0.803571 0.521173 O\n0.575149 0.244558 0.612988 O\n0.075149 0.255442 0.387012 O\n0.424851 0.755442 0.387012 O\n0.924851 0.744558 0.612988 O\n0.938120 0.077014 0.398434 O\n0.438120 0.422986 0.601566 O\n0.061880 0.922986 0.601566 O\n0.561880 0.577014 0.398434 O\n0.910300 0.194548 0.782057 O\n0.410300 0.305452 0.217943 O\n0.089700 0.805452 0.217943 O\n0.589700 0.694548 0.782057 O\n0.682871 0.270052 0.332501 O\n0.182871 0.229948 0.667499 O\n0.317129 0.729948 0.667499 O\n0.817129 0.770052 0.332501 O\n0.767167 0.462993 0.574687 O\n0.267167 0.037007 0.425313 O\n0.232833 0.537007 0.425313 O\n0.732833 0.962993 0.574687 O\n0.881781 0.111955 0.148292 O\n0.381781 0.388045 0.851708 O\n0.118219 0.888045 0.851708 O\n0.618219 0.611955 0.148292 O\n",
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"elements": [
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"volume": 1201.1477328828662,
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"formula_full": "Hg16 Cl8 O48",
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{
"id": "mp-766831",
"created_at": "2022-09-04T14:39:09.792536Z",
"structure_string": "Na8 Ti10 Mn8 O36\n1.0\n2.943375 0.000000 0.000000\n0.000000 9.426923 0.000000\n0.000000 0.000000 26.496395\nNa Ti Mn O\n8 10 8 36\ndirect\n0.000000 0.170285 0.993290 Na\n0.000000 0.210425 0.202816 Na\n0.000000 0.289575 0.702816 Na\n0.000000 0.329715 0.493290 Na\n0.000000 0.670285 0.506710 Na\n0.000000 0.710425 0.297184 Na\n0.000000 0.789575 0.797184 Na\n0.000000 0.829715 0.006710 Na\n0.000000 0.000000 0.500000 Ti\n0.000000 0.015132 0.104899 Ti\n0.500000 0.137464 0.809178 Ti\n0.500000 0.362536 0.309178 Ti\n0.000000 0.484868 0.604899 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.515132 0.395101 Ti\n0.500000 0.637464 0.690822 Ti\n0.500000 0.862536 0.190822 Ti\n0.000000 0.984868 0.895101 Ti\n0.000000 0.028946 0.307248 Mn\n0.500000 0.141398 0.590198 Mn\n0.500000 0.358602 0.090198 Mn\n0.000000 0.471054 0.807248 Mn\n0.000000 0.528946 0.192752 Mn\n0.500000 0.641398 0.909802 Mn\n0.500000 0.858602 0.409802 Mn\n0.000000 0.971054 0.692752 Mn\n0.000000 0.988753 0.423837 O\n0.000000 0.011247 0.576163 O\n0.500000 0.026132 0.940068 O\n0.500000 0.053159 0.157011 O\n0.500000 0.090810 0.669585 O\n0.000000 0.085755 0.765093 O\n0.500000 0.139078 0.500888 O\n0.500000 0.160301 0.287940 O\n0.000000 0.169645 0.858995 O\n0.000000 0.218566 0.091521 O\n0.000000 0.281434 0.591521 O\n0.000000 0.330355 0.358995 O\n0.500000 0.339699 0.787940 O\n0.500000 0.360922 0.000888 O\n0.000000 0.414245 0.265093 O\n0.500000 0.409190 0.169585 O\n0.500000 0.446841 0.657011 O\n0.500000 0.473868 0.440068 O\n0.000000 0.488753 0.076163 O\n0.000000 0.511247 0.923837 O\n0.500000 0.526132 0.559932 O\n0.500000 0.553159 0.342989 O\n0.500000 0.590810 0.830415 O\n0.000000 0.585755 0.734907 O\n0.500000 0.639078 0.999112 O\n0.500000 0.660301 0.212060 O\n0.000000 0.669645 0.641005 O\n0.000000 0.718566 0.408479 O\n0.000000 0.781434 0.908479 O\n0.000000 0.830355 0.141005 O\n0.500000 0.839699 0.712060 O\n0.500000 0.860922 0.499112 O\n0.000000 0.914245 0.234907 O\n0.500000 0.909190 0.330415 O\n0.500000 0.946841 0.842989 O\n0.500000 0.973868 0.059932 O\n",
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{
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