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{
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{
"id": "mp-752561",
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"structure_string": "Sb2 O4 F2\n1.0\n2.618205 4.382654 0.000000\n-2.618205 4.382654 0.000000\n0.000000 3.174650 4.561917\nSb O F\n2 4 2\ndirect\n0.311674 0.748384 0.149398 Sb\n0.748384 0.311674 0.649398 Sb\n0.904157 0.675559 0.410859 O\n0.538053 0.383255 0.401846 O\n0.675559 0.904157 0.910859 O\n0.383255 0.538053 0.901846 O\n0.155216 0.041272 0.401545 F\n0.041272 0.155216 0.901545 F\n",
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{
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"structure_string": "Li4 B12 O18 F4\n1.0\n8.169612 2.444480 0.000000\n-8.169612 2.444480 0.000000\n0.000000 0.381015 10.158188\nLi B O F\n4 12 18 4\ndirect\n0.080784 0.154023 0.621014 Li\n0.154023 0.080784 0.121014 Li\n0.938099 0.452955 0.451200 Li\n0.452955 0.938099 0.951200 Li\n0.525036 0.790949 0.516042 B\n0.790949 0.525036 0.016042 B\n0.829060 0.897009 0.355565 B\n0.897009 0.829060 0.855565 B\n0.745981 0.452162 0.777887 B\n0.452162 0.745981 0.277887 B\n0.601190 0.089083 0.658755 B\n0.089083 0.601190 0.158755 B\n0.627841 0.302327 0.243563 B\n0.302327 0.627841 0.743563 B\n0.213000 0.025347 0.412351 B\n0.025347 0.213000 0.912351 B\n0.343686 0.580332 0.629192 O\n0.580332 0.343686 0.129192 O\n0.755435 0.870686 0.483719 O\n0.870686 0.755435 0.983719 O\n0.849085 0.687410 0.752644 O\n0.687410 0.849085 0.252644 O\n0.731764 0.341005 0.671576 O\n0.341005 0.731764 0.171576 O\n0.667331 0.339375 0.903579 O\n0.339375 0.667331 0.403579 O\n0.670209 0.062835 0.549373 O\n0.062835 0.670209 0.049373 O\n0.412662 0.873345 0.754653 O\n0.873345 0.412662 0.254653 O\n0.459585 0.158659 0.352791 O\n0.158659 0.459585 0.852791 O\n0.048043 0.980438 0.318669 O\n0.980438 0.048043 0.818669 O\n0.300241 0.195930 0.518139 F\n0.195930 0.300241 0.018139 F\n0.037372 0.756725 0.469788 F\n0.756725 0.037372 0.969788 F\n",
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"formula_full": "Li4 B12 O18 F4",
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},
{
"id": "mp-755329",
"created_at": "2022-09-04T14:39:06.134729Z",
"structure_string": "Li12 Fe4 O8 F8\n1.0\n5.114130 0.000000 0.056360\n-1.699877 5.936895 4.818304\n-1.699876 -5.936894 4.818304\nLi Fe O F\n12 4 8 8\ndirect\n0.249998 0.308516 0.191485 Li\n0.250004 0.808515 0.691484 Li\n0.749997 0.691485 0.808516 Li\n0.750003 0.191484 0.308516 Li\n0.250001 0.569940 0.930059 Li\n0.250000 0.069941 0.430060 Li\n0.750001 0.430058 0.069940 Li\n0.750000 0.930059 0.569942 Li\n0.250000 0.186636 0.813363 Li\n0.250000 0.686634 0.313365 Li\n0.750000 0.313364 0.686635 Li\n0.750000 0.813366 0.186634 Li\n0.250001 0.951358 0.048642 Fe\n0.749998 0.548642 0.451361 Fe\n0.249994 0.451356 0.548644 Fe\n0.749998 0.048648 0.951353 Fe\n0.007100 0.554660 0.677769 O\n0.007093 0.054665 0.177765 O\n0.492908 0.822234 0.945334 O\n0.492899 0.322232 0.445340 O\n0.507101 0.177769 0.054660 O\n0.507093 0.677767 0.554666 O\n0.992906 0.445335 0.322233 O\n0.992900 0.945340 0.822231 O\n0.009073 0.688193 0.064690 F\n0.009083 0.188201 0.564692 F\n0.509073 0.564690 0.188194 F\n0.509083 0.064692 0.688202 F\n0.490918 0.435308 0.811798 F\n0.490928 0.935309 0.311807 F\n0.990918 0.311798 0.935307 F\n0.990928 0.811806 0.435310 F\n",
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"formula_full": "Li12 Fe4 O8 F8",
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{
"id": "mp-42264",
"created_at": "2022-09-04T14:39:33.442690Z",
"structure_string": "K8 Mn4 H16 Cl16 O8\n1.0\n6.201770 -0.020130 -2.565862\n2.764441 5.551617 2.565895\n6.820839 -11.056101 16.572463\nK Mn H Cl O\n8 4 16 16 8\ndirect\n0.999914 0.500047 0.625008 K\n0.999932 0.500092 0.125019 K\n0.499909 0.000106 0.875032 K\n0.499855 0.000011 0.374991 K\n0.000074 0.500096 0.374984 K\n0.999877 0.500014 0.875030 K\n0.499934 0.000057 0.625005 K\n0.499828 0.000112 0.125007 K\n0.000192 0.999815 0.499838 Mn\n0.500004 0.499981 0.750004 Mn\n0.999919 0.000050 0.999990 Mn\n0.500528 0.499791 0.250008 Mn\n0.738113 0.411826 0.499997 H\n0.738199 0.411723 0.000004 H\n0.238053 0.911894 0.750010 H\n0.238263 0.911653 0.250009 H\n0.336755 0.663231 0.537521 H\n0.336726 0.663255 0.037510 H\n0.836704 0.163274 0.787512 H\n0.836981 0.163021 0.287547 H\n0.336789 0.663200 0.462492 H\n0.336899 0.663077 0.962474 H\n0.836702 0.163279 0.712494 H\n0.836927 0.163074 0.212489 H\n0.588186 0.261871 0.499997 H\n0.588249 0.261799 0.000003 H\n0.088091 0.761930 0.750011 H\n0.088439 0.761669 0.250009 H\n0.491707 0.508318 0.371809 Cl\n0.491573 0.508408 0.871789 Cl\n0.991628 0.008355 0.621803 Cl\n0.991587 0.008377 0.121740 Cl\n0.764844 0.748166 0.500007 Cl\n0.764834 0.748131 0.999968 Cl\n0.264804 0.248181 0.750021 Cl\n0.264979 0.248207 0.250021 Cl\n0.251823 0.235142 0.500006 Cl\n0.251822 0.235118 0.999969 Cl\n0.751807 0.735173 0.750021 Cl\n0.751915 0.735174 0.250021 Cl\n0.491595 0.508392 0.628222 Cl\n0.491705 0.508337 0.128209 Cl\n0.991646 0.008322 0.878150 Cl\n0.991571 0.008402 0.378218 Cl\n0.266135 0.733851 0.499997 O\n0.266202 0.733792 0.999975 O\n0.766044 0.233937 0.750009 O\n0.766370 0.233626 0.250021 O\n0.733781 0.266215 0.500017 O\n0.733859 0.266111 0.999978 O\n0.233686 0.766299 0.750013 O\n0.234037 0.766019 0.250022 O\n",
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"elements": [
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],
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"formula_full": "K8 Mn4 H16 Cl16 O8",
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},
{
"id": "mp-722369",
"created_at": "2022-09-04T14:39:14.457147Z",
"structure_string": "Na12 B20 H8 O40\n1.0\n6.098524 0.000000 0.000000\n0.000000 11.229933 0.000000\n0.000000 0.000000 11.339001\nNa B H O\n12 20 8 40\ndirect\n0.918579 0.250098 0.861258 Na\n0.081421 0.750098 0.138742 Na\n0.918579 0.750098 0.638742 Na\n0.081421 0.250098 0.361258 Na\n0.474885 0.256095 0.065870 Na\n0.525115 0.756095 0.934130 Na\n0.474885 0.756095 0.434130 Na\n0.525115 0.256095 0.565870 Na\n0.651525 0.505267 0.743826 Na\n0.348475 0.005267 0.256174 Na\n0.651525 0.005267 0.756174 Na\n0.348475 0.505267 0.243826 Na\n0.862739 0.512820 0.247170 B\n0.137261 0.012820 0.752830 B\n0.862739 0.012820 0.252830 B\n0.137261 0.512820 0.747170 B\n0.722898 0.508546 0.458045 B\n0.277102 0.008546 0.541955 B\n0.722898 0.008546 0.041955 B\n0.277102 0.508546 0.958045 B\n0.961276 0.348748 0.104699 B\n0.038724 0.848748 0.895301 B\n0.961276 0.848748 0.395301 B\n0.038724 0.348748 0.604699 B\n0.063767 0.627409 0.411639 B\n0.936233 0.127409 0.588361 B\n0.063767 0.127409 0.088361 B\n0.936233 0.627409 0.911639 B\n0.672689 0.497148 0.039863 B\n0.327311 0.997148 0.960137 B\n0.672689 0.997148 0.460137 B\n0.327311 0.497148 0.539863 B\n0.415042 0.177653 0.819798 H\n0.584958 0.677653 0.180202 H\n0.415042 0.677653 0.680202 H\n0.584958 0.177653 0.319798 H\n0.412950 0.320459 0.815964 H\n0.587050 0.820459 0.184036 H\n0.412950 0.820459 0.684036 H\n0.587050 0.320459 0.315964 H\n0.001033 0.407569 0.208881 O\n0.998967 0.907569 0.791119 O\n0.001033 0.907569 0.291119 O\n0.998967 0.407569 0.708881 O\n0.003331 0.608331 0.288231 O\n0.996669 0.108331 0.711769 O\n0.003331 0.108331 0.211769 O\n0.996669 0.608331 0.788231 O\n0.722319 0.556427 0.152234 O\n0.277681 0.056427 0.847766 O\n0.722319 0.056427 0.347766 O\n0.277681 0.556427 0.652234 O\n0.715761 0.464358 0.344555 O\n0.284239 0.964358 0.655445 O\n0.715761 0.964358 0.155445 O\n0.284239 0.464358 0.844555 O\n0.570269 0.471225 0.540883 O\n0.429731 0.971225 0.459117 O\n0.570269 0.971225 0.959117 O\n0.429731 0.471225 0.040883 O\n0.880575 0.589237 0.492003 O\n0.119425 0.089237 0.507997 O\n0.880575 0.089237 0.007997 O\n0.119425 0.589237 0.992003 O\n0.098139 0.258100 0.067371 O\n0.901861 0.758100 0.932629 O\n0.098139 0.758100 0.432629 O\n0.901861 0.258100 0.567371 O\n0.787181 0.378478 0.032519 O\n0.212819 0.878478 0.967481 O\n0.787181 0.878478 0.467481 O\n0.212819 0.378478 0.532519 O\n0.723951 0.569945 0.937892 O\n0.276049 0.069945 0.062108 O\n0.723951 0.069945 0.562108 O\n0.276049 0.569945 0.437892 O\n0.507008 0.250385 0.799644 O\n0.492992 0.750385 0.200356 O\n0.507008 0.750385 0.700356 O\n0.492992 0.250385 0.299644 O\n",
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},
{
"id": "mp-1011374",
"created_at": "2022-09-04T14:40:13.507608Z",
"structure_string": "Ce1 Se2\n1.0\n6.494890 -2.042848 0.000000\n6.494890 2.042848 0.000000\n5.852350 0.000000 3.479486\nCe Se\n1 2\ndirect\n0.667142 0.667142 0.667142 Ce\n0.246401 0.246401 0.246401 Se\n0.422089 0.422089 0.422089 Se\n",
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{
"id": "mp-558267",
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"structure_string": "Na4 Li4 Si4 B12 H4 O32\n1.0\n14.010072 0.000000 0.000000\n0.000000 6.834142 0.000000\n0.000000 4.400295 6.423236\nNa Li Si B H O\n4 4 4 12 4 32\ndirect\n0.491893 0.974888 0.743461 Na\n0.008107 0.974888 0.243461 Na\n0.508107 0.025112 0.256539 Na\n0.991893 0.025112 0.756539 Na\n0.199015 0.538834 0.126795 Li\n0.800985 0.461166 0.873205 Li\n0.300985 0.538834 0.626795 Li\n0.699015 0.461166 0.373205 Li\n0.247380 0.041969 0.790850 Si\n0.752620 0.958031 0.209150 Si\n0.252620 0.041969 0.290850 Si\n0.747380 0.958031 0.709150 Si\n0.507030 0.463187 0.784113 B\n0.152772 0.765525 0.683259 B\n0.007030 0.536813 0.715887 B\n0.849003 0.682765 0.084346 B\n0.492970 0.536813 0.215887 B\n0.652772 0.234475 0.816741 B\n0.349003 0.317235 0.415654 B\n0.992970 0.463187 0.284113 B\n0.847228 0.234475 0.316741 B\n0.150997 0.317235 0.915654 B\n0.650997 0.682765 0.584346 B\n0.347228 0.765525 0.183259 B\n0.387666 0.305885 0.943868 H\n0.887666 0.694115 0.556132 H\n0.612334 0.694115 0.056132 H\n0.112334 0.305885 0.443868 H\n0.784886 0.728229 0.209546 O\n0.777496 0.187357 0.479645 O\n0.654251 0.031965 0.792118 O\n0.547644 0.680930 0.645284 O\n0.452356 0.319070 0.354716 O\n0.222504 0.812643 0.520355 O\n0.410365 0.463718 0.830650 O\n0.675045 0.455254 0.620274 O\n0.589635 0.536282 0.169350 O\n0.841194 0.875254 0.861278 O\n0.154251 0.968035 0.707882 O\n0.215114 0.271771 0.790454 O\n0.341194 0.124746 0.638722 O\n0.053242 0.751355 0.618440 O\n0.658806 0.875254 0.361278 O\n0.345749 0.968035 0.207882 O\n0.324955 0.544746 0.379726 O\n0.446758 0.751355 0.118440 O\n0.952356 0.680930 0.145284 O\n0.845749 0.031965 0.292118 O\n0.047644 0.319070 0.854716 O\n0.158806 0.124746 0.138722 O\n0.284886 0.271771 0.290454 O\n0.824955 0.455254 0.120274 O\n0.722504 0.187357 0.979645 O\n0.715114 0.728229 0.709546 O\n0.553242 0.248645 0.881560 O\n0.910365 0.536282 0.669350 O\n0.277496 0.812643 0.020355 O\n0.175045 0.544746 0.879726 O\n0.946758 0.248645 0.381560 O\n0.089635 0.463718 0.330650 O\n",
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{
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{
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}