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{
"id": "mp-18814",
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"structure_string": "Mn2 C2 O6\n1.0\n1.106123 3.786504 2.798457\n-0.650509 -0.257651 4.785140\n5.076928 -0.680643 3.105719\nMn C O\n2 2 6\ndirect\n0.509942 0.509467 0.400431 Mn\n0.009400 0.010092 0.900421 Mn\n0.258936 0.261058 0.150429 C\n0.761105 0.758975 0.650436 C\n0.030108 0.758416 0.650695 O\n0.258420 0.529966 0.150689 O\n0.492298 0.027269 0.651874 O\n0.527263 0.992232 0.151824 O\n0.761656 0.490942 0.649114 O\n0.990875 0.261583 0.149087 O\n",
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{
"id": "mp-1029619",
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"structure_string": "Ba12 Re24 N48\n1.0\n11.111659 0.000000 0.000000\n0.000000 11.111659 0.000000\n0.000000 0.000000 11.111659\nBa Re N\n12 24 48\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.146207 0.853793 0.353793 Ba\n0.853793 0.353793 0.146207 Ba\n0.353793 0.146207 0.853793 Ba\n0.646207 0.646207 0.646207 Ba\n0.853793 0.146207 0.646207 Ba\n0.146207 0.646207 0.853793 Ba\n0.646207 0.853793 0.146207 Ba\n0.353793 0.353793 0.353793 Ba\n0.412589 0.673962 0.344976 Re\n0.587411 0.173962 0.155024 Re\n0.087411 0.326038 0.844976 Re\n0.912589 0.826038 0.655024 Re\n0.344976 0.412589 0.673962 Re\n0.155024 0.587411 0.173962 Re\n0.844976 0.087411 0.326038 Re\n0.655024 0.912589 0.826038 Re\n0.673962 0.344976 0.412589 Re\n0.173962 0.155024 0.587411 Re\n0.326038 0.844976 0.087411 Re\n0.826038 0.655024 0.912589 Re\n0.587411 0.326038 0.655024 Re\n0.412589 0.826038 0.844976 Re\n0.912589 0.673962 0.155024 Re\n0.087411 0.173962 0.344976 Re\n0.655024 0.587411 0.326038 Re\n0.844976 0.412589 0.826038 Re\n0.155024 0.912589 0.673962 Re\n0.344976 0.087411 0.173962 Re\n0.326038 0.655024 0.587411 Re\n0.826038 0.844976 0.412589 Re\n0.673962 0.155024 0.912589 Re\n0.173962 0.344976 0.087411 Re\n0.395218 0.805687 0.250772 N\n0.604782 0.305687 0.249228 N\n0.104782 0.194313 0.750772 N\n0.895218 0.694313 0.749228 N\n0.250772 0.395218 0.805687 N\n0.249228 0.604782 0.305687 N\n0.750772 0.104782 0.194313 N\n0.749228 0.895218 0.694313 N\n0.805687 0.250772 0.395218 N\n0.305687 0.249228 0.604782 N\n0.194313 0.750772 0.104782 N\n0.694313 0.749228 0.895218 N\n0.604782 0.194313 0.749228 N\n0.395218 0.694313 0.750772 N\n0.895218 0.805687 0.249228 N\n0.104782 0.305687 0.250772 N\n0.749228 0.604782 0.194313 N\n0.750772 0.395218 0.694313 N\n0.249228 0.895218 0.805687 N\n0.250772 0.104782 0.305687 N\n0.194313 0.749228 0.604782 N\n0.694313 0.750772 0.395218 N\n0.805687 0.249228 0.895218 N\n0.305687 0.250772 0.104782 N\n0.459931 0.727575 0.507008 N\n0.540069 0.227575 0.992992 N\n0.040069 0.272425 0.007008 N\n0.959931 0.772425 0.492992 N\n0.507008 0.459931 0.727575 N\n0.992992 0.540069 0.227575 N\n0.007008 0.040069 0.272425 N\n0.492992 0.959931 0.772425 N\n0.727575 0.507008 0.459931 N\n0.227575 0.992992 0.540069 N\n0.272425 0.007008 0.040069 N\n0.772425 0.492992 0.959931 N\n0.540069 0.272425 0.492992 N\n0.459931 0.772425 0.007008 N\n0.959931 0.727575 0.992992 N\n0.040069 0.227575 0.507008 N\n0.492992 0.540069 0.272425 N\n0.007008 0.459931 0.772425 N\n0.992992 0.959931 0.727575 N\n0.507008 0.040069 0.227575 N\n0.272425 0.492992 0.540069 N\n0.772425 0.007008 0.459931 N\n0.727575 0.992992 0.959931 N\n0.227575 0.507008 0.040069 N\n",
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{
"id": "mp-1217879",
"created_at": "2022-09-04T14:44:17.759355Z",
"structure_string": "Y2 Tc4 Cl16 O18\n1.0\n0.000000 0.354560 6.761913\n12.790241 0.000000 0.000000\n0.000000 11.850889 0.472783\nY Tc Cl O\n2 4 16 18\ndirect\n0.027563 0.071371 0.945967 Y\n0.972437 0.571371 0.554033 Y\n0.566942 0.986878 0.494752 Tc\n0.433058 0.486878 0.005248 Tc\n0.237298 0.969546 0.495441 Tc\n0.762702 0.469546 0.004559 Tc\n0.627076 0.900374 0.655156 Cl\n0.636061 0.089633 0.334322 Cl\n0.372924 0.400374 0.844844 Cl\n0.363939 0.589633 0.165678 Cl\n0.414197 0.643244 0.908019 Cl\n0.320648 0.348412 0.109296 Cl\n0.679352 0.848412 0.390704 Cl\n0.585803 0.143244 0.591981 Cl\n0.092718 0.102760 0.638862 Cl\n0.211717 0.852500 0.359855 Cl\n0.907282 0.602760 0.861138 Cl\n0.788283 0.352500 0.140145 Cl\n0.841282 0.615926 0.100087 Cl\n0.840551 0.358497 0.862397 Cl\n0.159449 0.858497 0.637603 Cl\n0.158718 0.115926 0.399913 Cl\n0.084484 0.219062 0.986846 O\n0.944958 0.859293 0.978196 O\n0.915516 0.719062 0.513154 O\n0.055042 0.359293 0.521804 O\n0.011016 0.005721 0.158885 O\n0.025117 0.060369 0.763708 O\n0.974883 0.560369 0.736292 O\n0.988984 0.505721 0.341115 O\n0.366328 0.014096 0.936053 O\n0.160722 0.065018 0.150135 O\n0.633672 0.514096 0.563947 O\n0.839278 0.565018 0.349865 O\n0.767873 0.833446 0.989754 O\n0.680028 0.050118 0.969498 O\n0.319972 0.550118 0.530502 O\n0.232127 0.333446 0.510246 O\n0.508281 0.088733 0.939396 O\n0.491719 0.588733 0.560604 O\n",
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"formula_full": "Y2 Tc4 Cl16 O18",
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{
"id": "mp-1190427",
"created_at": "2022-09-04T14:44:17.773150Z",
"structure_string": "La4 Sb4 O16\n1.0\n5.158752 0.000000 0.000000\n0.000000 5.439168 0.000000\n0.000000 4.512740 12.955120\nLa Sb O\n4 4 16\ndirect\n0.804340 0.657169 0.335463 La\n0.695660 0.657169 0.835463 La\n0.195660 0.342831 0.664537 La\n0.304340 0.342831 0.164537 La\n0.751654 0.917612 0.069299 Sb\n0.748346 0.917612 0.569299 Sb\n0.248346 0.082388 0.930701 Sb\n0.251654 0.082388 0.430701 Sb\n0.440052 0.752371 0.025414 O\n0.059948 0.752371 0.525414 O\n0.559948 0.247629 0.974586 O\n0.940052 0.247629 0.474586 O\n0.599214 0.987992 0.188272 O\n0.900786 0.987992 0.688272 O\n0.400786 0.012008 0.811728 O\n0.099214 0.012008 0.311728 O\n0.070003 0.139121 0.056152 O\n0.429997 0.139121 0.556152 O\n0.929997 0.860879 0.943848 O\n0.570003 0.860879 0.443848 O\n0.885223 0.588637 0.167944 O\n0.614777 0.588637 0.667944 O\n0.114777 0.411363 0.832056 O\n0.385223 0.411363 0.332056 O\n",
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{
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"structure_string": "Li1 Mg6 B1 O7\n1.0\n8.064760 -0.000000 0.000000\n0.000000 4.323166 0.000000\n0.000000 0.000000 4.323166\nLi Mg B O\n1 6 1 7\ndirect\n0.004046 -0.000000 -0.000000 Li\n0.002598 0.500000 0.500000 Mg\n0.496539 0.500000 0.500000 Mg\n0.253514 0.000000 0.500000 Mg\n0.745455 0.000000 0.500000 Mg\n0.253514 0.500000 -0.000000 Mg\n0.745455 0.500000 0.000000 Mg\n0.500607 -0.000000 0.000000 B\n0.324406 0.000000 0.000000 O\n0.677326 0.000000 -0.000000 O\n0.749296 0.500000 0.500000 O\n0.999263 -0.000000 0.500000 O\n0.499358 0.000000 0.500000 O\n0.999263 0.500000 0.000000 O\n0.499358 0.500000 0.000000 O\n",
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{
"id": "mp-1195181",
"created_at": "2022-09-04T14:44:17.827889Z",
"structure_string": "Co16 Se12 Cl8 O36\n1.0\n8.085771 0.000000 0.000000\n0.000000 9.834720 0.000000\n0.000000 0.000000 14.612497\nCo Se Cl O\n16 12 8 36\ndirect\n0.033290 0.265249 0.873018 Co\n0.533290 0.234751 0.626982 Co\n0.966710 0.734751 0.373018 Co\n0.466710 0.765249 0.126982 Co\n0.966710 0.734751 0.126982 Co\n0.466710 0.765249 0.373018 Co\n0.033290 0.265249 0.626982 Co\n0.533290 0.234751 0.873018 Co\n0.796275 0.498917 0.977614 Co\n0.296275 0.001083 0.522386 Co\n0.203725 0.501083 0.477614 Co\n0.703725 0.998917 0.022386 Co\n0.203725 0.501083 0.022386 Co\n0.703725 0.998917 0.477614 Co\n0.796275 0.498917 0.522386 Co\n0.296275 0.001083 0.977614 Co\n0.028151 0.212391 0.078107 Se\n0.528151 0.287609 0.421893 Se\n0.971849 0.787609 0.578107 Se\n0.471849 0.712391 0.921893 Se\n0.971849 0.787609 0.921893 Se\n0.471849 0.712391 0.578107 Se\n0.028151 0.212391 0.421893 Se\n0.528151 0.287609 0.078107 Se\n0.743419 0.457821 0.750000 Se\n0.243419 0.042179 0.750000 Se\n0.256581 0.542179 0.250000 Se\n0.756581 0.957821 0.250000 Se\n0.270109 0.413159 0.869547 Cl\n0.770109 0.086841 0.630453 Cl\n0.729891 0.586841 0.369547 Cl\n0.229891 0.913159 0.130453 Cl\n0.729891 0.586841 0.130453 Cl\n0.229891 0.913159 0.369547 Cl\n0.270109 0.413159 0.630453 Cl\n0.770109 0.086841 0.869547 Cl\n0.834938 0.146007 0.091294 O\n0.334938 0.353993 0.408706 O\n0.165062 0.853993 0.591294 O\n0.665062 0.646007 0.908706 O\n0.165062 0.853993 0.908706 O\n0.665062 0.646007 0.591294 O\n0.834938 0.146007 0.408706 O\n0.334938 0.353993 0.091294 O\n0.864701 0.412892 0.843393 O\n0.364701 0.087108 0.656607 O\n0.135299 0.587108 0.343393 O\n0.635299 0.912892 0.156607 O\n0.135299 0.587108 0.156607 O\n0.635299 0.912892 0.343393 O\n0.864701 0.412892 0.656607 O\n0.364701 0.087108 0.843393 O\n0.594897 0.326863 0.750000 O\n0.094897 0.173137 0.750000 O\n0.405103 0.673137 0.250000 O\n0.905103 0.826863 0.250000 O\n0.991465 0.367750 0.019956 O\n0.491465 0.132250 0.480044 O\n0.008535 0.632250 0.519956 O\n0.508535 0.867750 0.980044 O\n0.008535 0.632250 0.980044 O\n0.508535 0.867750 0.519956 O\n0.991465 0.367750 0.480044 O\n0.491465 0.132250 0.019956 O\n0.103819 0.135798 0.977700 O\n0.603819 0.364202 0.522300 O\n0.896181 0.864202 0.477700 O\n0.396181 0.635798 0.022300 O\n0.896181 0.864202 0.022300 O\n0.396181 0.635798 0.477700 O\n0.103819 0.135798 0.522300 O\n0.603819 0.364202 0.977700 O\n",
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{
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"structure_string": "Tm4 H8 Cl4 O8\n1.0\n0.000000 3.540802 0.000000\n0.000000 0.000000 6.320021\n13.119654 0.000000 0.000000\nTm H Cl O\n4 8 4 8\ndirect\n0.750000 0.249808 0.549492 Tm\n0.750000 0.250192 0.049492 Tm\n0.250000 0.750192 0.450508 Tm\n0.250000 0.749808 0.950508 Tm\n0.250000 0.541313 0.648950 H\n0.250000 0.958687 0.148950 H\n0.750000 0.458687 0.351050 H\n0.750000 0.041313 0.851050 H\n0.250000 0.179323 0.384420 H\n0.250000 0.320677 0.884420 H\n0.750000 0.820677 0.615580 H\n0.750000 0.679323 0.115581 H\n0.250000 0.119415 0.704042 Cl\n0.250000 0.380585 0.204042 Cl\n0.750000 0.880585 0.295958 Cl\n0.750000 0.619415 0.795958 Cl\n0.250000 0.498351 0.577142 O\n0.250000 0.001649 0.077142 O\n0.750000 0.501649 0.422858 O\n0.750000 0.998351 0.922858 O\n0.250000 0.128348 0.454871 O\n0.250000 0.371652 0.954871 O\n0.750000 0.871652 0.545129 O\n0.750000 0.628348 0.045129 O\n",
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{
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}