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{
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"results": [
{
"id": "mp-7260",
"created_at": "2022-09-04T14:40:19.654975Z",
"structure_string": "P8 S10\n1.0\n12.257145 0.000000 0.000000\n0.000000 6.792241 0.000000\n0.000000 3.271570 6.372273\nP S\n8 10\ndirect\n0.750000 0.289027 0.641219 P\n0.250000 0.710973 0.358781 P\n0.750000 0.855620 0.228118 P\n0.250000 0.144380 0.771882 P\n0.845371 0.427959 0.153286 P\n0.345371 0.572041 0.846714 P\n0.154629 0.572041 0.846714 P\n0.654629 0.427959 0.153286 P\n0.750000 0.634550 0.557678 S\n0.250000 0.365450 0.442322 S\n0.880234 0.758858 0.090933 S\n0.380234 0.241142 0.909067 S\n0.119766 0.241142 0.909067 S\n0.619766 0.758858 0.090933 S\n0.880225 0.230753 0.476049 S\n0.380225 0.769247 0.523951 S\n0.119775 0.769247 0.523951 S\n0.619775 0.230753 0.476049 S\n",
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{
"id": "mp-39123",
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"structure_string": "Na6 Zr4 Si4 P2 O24\n1.0\n9.196952 0.000000 0.000000\n-4.588579 -7.976545 0.000000\n-4.574096 2.628436 -7.562823\nNa Zr Si P O\n6 4 4 2 24\ndirect\n0.613439 0.872091 0.205622 Na\n0.493643 0.977066 0.501934 Na\n0.005214 0.611030 0.257396 Na\n0.009351 0.390269 0.758011 Na\n0.382765 0.259601 0.291368 Na\n0.502608 0.486735 0.996615 Na\n0.212237 0.360258 0.561887 Zr\n0.207356 0.858329 0.057774 Zr\n0.783255 0.141660 0.937758 Zr\n0.799340 0.656110 0.441910 Zr\n0.283193 0.539088 0.235215 Si\n0.300106 0.753799 0.748526 Si\n0.712986 0.254945 0.261725 Si\n0.002502 0.961011 0.252524 Si\n0.000054 0.050499 0.749953 P\n0.703377 0.457948 0.750120 P\n0.862605 0.997610 0.081297 O\n0.882177 0.894118 0.582854 O\n0.487704 0.570872 0.260558 O\n0.082050 0.373813 0.053023 O\n0.267273 0.493696 0.401419 O\n0.297208 0.724685 0.232475 O\n0.161455 0.226872 0.752531 O\n0.485975 0.922752 0.750562 O\n0.307679 0.579041 0.749962 O\n0.158384 0.932996 0.239125 O\n0.915440 0.289182 0.442659 O\n0.729071 0.228144 0.095656 O\n0.304826 0.800042 0.924667 O\n0.080152 0.701374 0.573193 O\n0.842935 0.073226 0.747530 O\n0.693391 0.422751 0.267099 O\n0.511077 0.081620 0.239726 O\n0.838284 0.776532 0.259796 O\n0.698581 0.287139 0.749084 O\n0.691019 0.497168 0.581158 O\n0.908801 0.615602 0.916232 O\n0.526333 0.436511 0.750007 O\n0.143048 0.135163 0.424229 O\n0.113102 0.008648 0.916818 O\n",
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"elements": [
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"P",
"O"
],
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"formula_full": "Na6 Zr4 Si4 P2 O24",
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"spacegroup": 1
},
{
"id": "mp-1245184",
"created_at": "2022-09-04T14:42:04.342870Z",
"structure_string": "Zn100\n1.0\n11.791916 -0.590491 0.336102\n-0.574888 11.777260 -0.117554\n0.316093 -0.102528 11.574528\nZn\n100\ndirect\n0.051886 0.581296 0.492227 Zn\n0.300362 0.150346 0.167680 Zn\n0.918463 0.158247 0.362569 Zn\n0.299956 0.744170 0.255131 Zn\n0.239810 0.212089 0.578156 Zn\n0.439373 0.887671 0.668382 Zn\n0.719489 0.942140 0.164297 Zn\n0.198241 0.199390 0.803565 Zn\n0.279720 0.281848 0.994473 Zn\n0.602667 0.815108 0.524177 Zn\n0.584162 0.412190 0.367378 Zn\n0.467484 0.299634 0.207811 Zn\n0.141251 0.653685 0.881779 Zn\n0.082285 0.077066 0.225511 Zn\n0.609490 0.214037 0.933504 Zn\n0.786144 0.723961 0.623471 Zn\n0.052033 0.289380 0.960145 Zn\n0.195883 0.990116 0.044551 Zn\n0.266118 0.961275 0.302818 Zn\n0.741005 0.546245 0.265294 Zn\n0.777344 0.263861 0.530807 Zn\n0.569099 0.634638 0.961527 Zn\n0.189298 0.472189 0.021024 Zn\n0.071258 0.792514 0.032093 Zn\n0.199872 0.815988 0.679762 Zn\n0.910323 0.379986 0.721768 Zn\n0.917956 0.208379 0.134742 Zn\n0.593737 0.747089 0.743159 Zn\n0.131958 0.435066 0.804523 Zn\n0.311119 0.412289 0.671950 Zn\n0.629542 0.586866 0.514219 Zn\n0.693514 0.165071 0.150583 Zn\n0.978851 0.107355 0.836384 Zn\n0.084241 0.917936 0.854107 Zn\n0.953693 0.374859 0.429451 Zn\n0.128121 0.463089 0.309332 Zn\n0.754529 0.609868 0.814114 Zn\n0.413479 0.466062 0.985797 Zn\n0.638421 0.721162 0.157697 Zn\n0.779179 0.315965 0.298913 Zn\n0.832366 0.293874 0.933246 Zn\n0.379678 0.793821 0.466739 Zn\n0.504269 0.380726 0.579847 Zn\n0.794532 0.588188 0.039018 Zn\n0.163022 0.788464 0.451556 Zn\n0.786884 0.062576 0.963205 Zn\n0.942342 0.444826 0.157024 Zn\n0.138388 0.244681 0.387736 Zn\n0.389226 0.109726 0.947682 Zn\n0.270589 0.588647 0.430143 Zn\n0.199888 0.597699 0.653541 Zn\n0.975389 0.612397 0.712818 Zn\n0.478599 0.830327 0.924049 Zn\n0.490900 0.000843 0.457794 Zn\n0.686657 0.373622 0.101621 Zn\n0.496542 0.633891 0.344536 Zn\n0.355296 0.162453 0.389270 Zn\n0.075733 0.825388 0.251317 Zn\n0.970223 0.001836 0.047393 Zn\n0.865174 0.788505 0.129869 Zn\n0.943882 0.629069 0.291071 Zn\n0.907772 0.757522 0.892863 Zn\n0.342569 0.383996 0.417977 Zn\n0.123280 0.627807 0.153669 Zn\n0.423345 0.615608 0.588280 Zn\n0.326809 0.521798 0.209700 Zn\n0.527033 0.855527 0.289567 Zn\n0.497315 0.073602 0.237449 Zn\n0.893327 0.941266 0.298636 Zn\n0.744236 0.760475 0.358349 Zn\n0.698687 0.835184 0.958095 Zn\n0.709338 0.447000 0.662641 Zn\n0.570378 0.020496 0.806626 Zn\n0.320933 0.682687 0.030284 Zn\n0.979256 0.189086 0.588412 Zn\n0.790842 0.931739 0.766041 Zn\n0.278064 0.984276 0.534954 Zn\n0.646686 0.423840 0.887188 Zn\n0.836537 0.543156 0.494445 Zn\n0.403618 0.114087 0.681271 Zn\n0.495371 0.524467 0.769456 Zn\n0.071581 0.007223 0.443296 Zn\n0.109404 0.385634 0.587396 Zn\n0.303239 0.925926 0.848662 Zn\n0.946518 0.775824 0.458835 Zn\n0.797438 0.164693 0.743630 Zn\n0.606452 0.235585 0.693936 Zn\n0.431188 0.302116 0.819540 Zn\n0.541019 0.512275 0.160083 Zn\n0.975506 0.841306 0.677446 Zn\n0.576265 0.210092 0.449333 Zn\n0.379903 0.899372 0.112553 Zn\n0.664173 0.035905 0.598961 Zn\n0.849456 0.954569 0.534328 Zn\n0.564135 0.015749 0.030800 Zn\n0.707601 0.046537 0.367558 Zn\n0.350357 0.693055 0.798691 Zn\n0.135404 0.294960 0.170234 Zn\n0.105289 0.038112 0.664844 Zn\n0.958485 0.501857 0.926945 Zn\n",
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{
"id": "mp-1221016",
"created_at": "2022-09-04T14:41:56.548441Z",
"structure_string": "Na2 V6 Pb8 O24\n1.0\n5.144168 -8.909961 0.000000\n5.144168 8.909961 0.000000\n0.000000 0.000000 7.412865\nNa V Pb O\n2 6 8 24\ndirect\n0.333333 0.666667 0.009103 Na\n0.666667 0.333333 0.509103 Na\n0.603639 0.623295 0.751253 V\n0.019656 0.396361 0.751253 V\n0.376705 0.980344 0.751253 V\n0.396361 0.376705 0.251253 V\n0.980344 0.603639 0.251253 V\n0.623295 0.019656 0.251253 V\n0.005119 0.747066 0.749352 Pb\n0.741947 0.994881 0.749352 Pb\n0.252934 0.258053 0.749352 Pb\n0.994881 0.252934 0.249352 Pb\n0.258053 0.005119 0.249352 Pb\n0.747066 0.741947 0.249352 Pb\n0.666667 0.333333 0.978919 Pb\n0.333333 0.666667 0.478919 Pb\n0.258477 0.914939 0.564680 O\n0.656462 0.741523 0.564680 O\n0.085061 0.343538 0.564680 O\n0.741523 0.085061 0.064680 O\n0.343538 0.258477 0.064680 O\n0.914939 0.656462 0.064680 O\n0.743699 0.082911 0.435204 O\n0.339212 0.256301 0.435204 O\n0.917089 0.660788 0.435204 O\n0.256301 0.917089 0.935204 O\n0.660788 0.743699 0.935204 O\n0.082911 0.339212 0.935204 O\n0.104097 0.594244 0.751363 O\n0.490147 0.895903 0.751363 O\n0.405756 0.509853 0.751363 O\n0.895903 0.405756 0.251363 O\n0.509853 0.104097 0.251363 O\n0.594244 0.490147 0.251363 O\n0.692604 0.516693 0.752080 O\n0.824089 0.307396 0.752080 O\n0.483307 0.175911 0.752080 O\n0.307396 0.483307 0.252080 O\n0.175911 0.692604 0.252080 O\n0.516693 0.824089 0.252080 O\n",
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{
"id": "mp-505701",
"created_at": "2022-09-04T14:40:21.206296Z",
"structure_string": "Na4 P8 H20 O32\n1.0\n7.825230 0.000000 0.000000\n0.000000 8.687034 0.000000\n0.000000 0.036447 10.505603\nNa P H O\n4 8 20 32\ndirect\n0.587842 0.221076 0.662245 Na\n0.087842 0.778924 0.837755 Na\n0.412158 0.778924 0.337755 Na\n0.912158 0.221076 0.162245 Na\n0.012856 0.414157 0.692397 P\n0.512856 0.585843 0.807603 P\n0.987144 0.585843 0.307603 P\n0.487144 0.414157 0.192397 P\n0.740130 0.039127 0.928763 P\n0.240130 0.960873 0.571237 P\n0.259870 0.960873 0.071237 P\n0.759870 0.039127 0.428763 P\n0.847346 0.440135 0.521074 H\n0.347346 0.559865 0.978926 H\n0.152654 0.559865 0.478926 H\n0.652654 0.440135 0.021074 H\n0.836771 0.522719 0.834794 H\n0.336771 0.477281 0.665206 H\n0.163229 0.477281 0.165206 H\n0.663229 0.522719 0.334794 H\n0.963572 0.191280 0.856816 H\n0.463572 0.808720 0.643184 H\n0.036428 0.808720 0.143184 H\n0.536428 0.191280 0.356816 H\n0.706816 0.832069 0.810428 H\n0.206816 0.167931 0.689572 H\n0.293184 0.167931 0.189572 H\n0.793184 0.832069 0.310428 H\n0.596395 0.959530 0.099843 H\n0.096395 0.040470 0.400157 H\n0.403605 0.040470 0.900157 H\n0.903605 0.959530 0.599843 H\n0.156925 0.485297 0.614023 O\n0.656925 0.514703 0.885977 O\n0.843075 0.514703 0.385977 O\n0.343075 0.485297 0.114023 O\n0.062060 0.260183 0.754008 O\n0.562060 0.739817 0.745992 O\n0.937940 0.739817 0.245992 O\n0.437940 0.260183 0.254008 O\n0.847656 0.386124 0.608080 O\n0.347656 0.613876 0.891920 O\n0.152344 0.613876 0.391920 O\n0.652344 0.386124 0.108080 O\n0.959974 0.533384 0.799383 O\n0.459974 0.466616 0.700617 O\n0.040026 0.466616 0.200617 O\n0.540026 0.533384 0.299383 O\n0.582808 0.103787 0.864694 O\n0.082808 0.896213 0.635306 O\n0.417192 0.896213 0.135306 O\n0.917192 0.103787 0.364694 O\n0.896687 0.150119 0.937126 O\n0.396687 0.849881 0.562874 O\n0.103313 0.849881 0.062874 O\n0.603313 0.150119 0.437126 O\n0.803574 0.889078 0.857981 O\n0.303574 0.110922 0.642019 O\n0.196426 0.110922 0.142019 O\n0.696426 0.889078 0.357981 O\n0.713969 0.003446 0.074545 O\n0.213969 0.996554 0.425455 O\n0.286031 0.996554 0.925455 O\n0.786031 0.003446 0.574545 O\n",
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"formula_full": "Na4 P8 H20 O32",
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"spacegroup": 14
},
{
"id": "mp-761527",
"created_at": "2022-09-04T14:42:07.810510Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n1.396288 4.122712 -2.577131\n1.395111 4.120409 7.727599\n8.649359 -0.173464 -0.001034\nLi Mn P O\n4 4 4 16\ndirect\n0.713997 0.279852 0.503432 Li\n0.213971 0.780279 0.503417 Li\n0.527722 0.466371 0.003204 Li\n0.027769 0.966349 0.003265 Li\n0.906403 0.598191 0.247927 Mn\n0.600727 0.902995 0.748768 Mn\n0.404805 0.098512 0.248262 Mn\n0.102064 0.403759 0.747851 Mn\n0.963500 0.286553 0.125787 P\n0.464043 0.786669 0.125988 P\n0.162529 0.088233 0.626068 P\n0.663084 0.588191 0.625661 P\n0.067061 0.123062 0.150872 O\n0.567648 0.623216 0.151258 O\n0.969444 0.221811 0.651318 O\n0.469220 0.721517 0.651072 O\n0.676189 0.273169 0.092988 O\n0.177091 0.772986 0.092686 O\n0.499350 0.451146 0.592825 O\n0.998280 0.951249 0.593342 O\n0.946063 0.361133 0.279987 O\n0.445723 0.861536 0.280004 O\n0.266193 0.041980 0.779961 O\n0.766343 0.542168 0.779770 O\n0.419198 0.134605 0.479568 O\n0.919775 0.634794 0.479307 O\n0.161694 0.391924 0.979630 O\n0.662418 0.891877 0.979762 O\n",
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"formula_full": "Li4 Mn4 P4 O16",
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},
{
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H\n0.550515 0.818026 0.011215 H\n0.011215 0.120244 0.550515 H\n0.997849 0.925619 0.182253 H\n0.574381 0.317747 0.105721 H\n0.105721 0.502151 0.574381 H\n0.574381 0.105721 0.502151 H\n0.317747 0.502151 0.105721 H\n0.317747 0.105721 0.574381 H\n0.105721 0.317747 0.502151 H\n0.182253 0.997849 0.925619 H\n0.925619 0.182253 0.997849 H\n0.394278 0.997849 0.182253 H\n0.925619 0.394278 0.182253 H\n0.394278 0.925619 0.997849 H\n0.182253 0.925619 0.394278 H\n0.997849 0.182253 0.394278 H\n0.997849 0.394278 0.925619 H\n0.105721 0.574381 0.317747 H\n0.502151 0.105721 0.317747 H\n0.502151 0.574381 0.105721 H\n0.574381 0.502151 0.317747 H\n0.317747 0.574381 0.502151 H\n0.502151 0.317747 0.574381 H\n0.182253 0.394278 0.997849 H\n0.394278 0.182253 0.925619 H\n0.925619 0.997849 0.394278 H\n0.002151 0.074381 0.817747 H\n0.425619 0.682253 0.894278 H\n0.894278 0.497849 0.425619 H\n0.425619 0.894278 0.497849 H\n0.682253 0.497849 0.894278 H\n0.682253 0.894278 0.425619 H\n0.894278 0.682253 0.497849 H\n0.817747 0.002151 0.074381 H\n0.074381 0.817747 0.002151 H\n0.605722 0.002151 0.817747 H\n0.074381 0.605722 0.817747 H\n0.605722 0.074381 0.002151 H\n0.817747 0.074381 0.605722 H\n0.002151 0.817747 0.605722 H\n0.002151 0.605722 0.074381 H\n0.894278 0.425619 0.682253 H\n0.497849 0.894278 0.682253 H\n0.497849 0.425619 0.894278 H\n0.425619 0.497849 0.682253 H\n0.682253 0.425619 0.497849 H\n0.497849 0.682253 0.425619 H\n0.817747 0.605722 0.002151 H\n0.605722 0.817747 0.074381 H\n0.074381 0.002151 0.605722 H\n0.952748 0.991955 0.143173 N\n0.508045 0.356827 0.087875 N\n0.087875 0.547252 0.508045 N\n0.508045 0.087875 0.547252 N\n0.356827 0.547252 0.087875 N\n0.356827 0.087875 0.508045 N\n0.087875 0.356827 0.547252 N\n0.143173 0.952748 0.991955 N\n0.991955 0.143173 0.952748 N\n0.412125 0.952748 0.143173 N\n0.991955 0.412125 0.143173 N\n0.412125 0.991955 0.952748 N\n0.143173 0.991955 0.412125 N\n0.952748 0.143173 0.412125 N\n0.952748 0.412125 0.991955 N\n0.087875 0.508045 0.356827 N\n0.547252 0.087875 0.356827 N\n0.547252 0.508045 0.087875 N\n0.508045 0.547252 0.356827 N\n0.356827 0.508045 0.547252 N\n0.547252 0.356827 0.508045 N\n0.143173 0.412125 0.952748 N\n0.412125 0.143173 0.991955 N\n0.991955 0.952748 0.412125 N\n0.047252 0.008045 0.856827 N\n0.491955 0.643173 0.912125 N\n0.912125 0.452748 0.491955 N\n0.491955 0.912125 0.452748 N\n0.643173 0.452748 0.912125 N\n0.643173 0.912125 0.491955 N\n0.912125 0.643173 0.452748 N\n0.856827 0.047252 0.008045 N\n0.008045 0.856827 0.047252 N\n0.587875 0.047252 0.856827 N\n0.008045 0.587875 0.856827 N\n0.587875 0.008045 0.047252 N\n0.856827 0.008045 0.587875 N\n0.047252 0.856827 0.587875 N\n0.047252 0.587875 0.008045 N\n0.912125 0.491955 0.643173 N\n0.452748 0.912125 0.643173 N\n0.452748 0.491955 0.912125 N\n0.491955 0.452748 0.643173 N\n0.643173 0.491955 0.452748 N\n0.452748 0.643173 0.491955 N\n0.856827 0.587875 0.047252 N\n0.587875 0.856827 0.008045 N\n0.008045 0.047252 0.587875 N\n0.185284 0.185284 0.185284 Cl\n0.314716 0.314716 0.555852 Cl\n0.555852 0.314716 0.314716 Cl\n0.314716 0.555852 0.314716 Cl\n0.944148 0.185284 0.185284 Cl\n0.185284 0.944148 0.185284 Cl\n0.185284 0.185284 0.944148 Cl\n0.314716 0.314716 0.314716 Cl\n0.814716 0.814716 0.814716 Cl\n0.685284 0.685284 0.444148 Cl\n0.444148 0.685284 0.685284 Cl\n0.685284 0.444148 0.685284 Cl\n0.055852 0.814716 0.814716 Cl\n0.814716 0.055852 0.814716 Cl\n0.814716 0.814716 0.055852 Cl\n0.685284 0.685284 0.685284 Cl\n0.750000 0.085146 0.414854 Cl\n0.414854 0.085146 0.250000 Cl\n0.250000 0.750000 0.414854 Cl\n0.414854 0.250000 0.750000 Cl\n0.085146 0.750000 0.250000 Cl\n0.085146 0.250000 0.414854 Cl\n0.250000 0.085146 0.750000 Cl\n0.414854 0.750000 0.085146 Cl\n0.085146 0.414854 0.750000 Cl\n0.750000 0.414854 0.250000 Cl\n0.750000 0.250000 0.085146 Cl\n0.250000 0.414854 0.085146 Cl\n0.250000 0.914854 0.585146 Cl\n0.585146 0.914854 0.750000 Cl\n0.750000 0.250000 0.585146 Cl\n0.585146 0.750000 0.250000 Cl\n0.914854 0.250000 0.750000 Cl\n0.914854 0.750000 0.585146 Cl\n0.750000 0.914854 0.250000 Cl\n0.585146 0.250000 0.914854 Cl\n0.914854 0.585146 0.250000 Cl\n0.250000 0.585146 0.750000 Cl\n0.250000 0.750000 0.914854 Cl\n0.750000 0.585146 0.914854 Cl\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.250000 0.250000 0.250000 Cd\n0.250000 0.250000 0.750000 Cd\n0.750000 0.250000 0.250000 Cd\n0.250000 0.750000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.750000 0.750000 0.250000 Cd\n0.250000 0.750000 0.750000 Cd\n0.750000 0.250000 0.750000 Cd\n",
"nsites": 248,
"nelements": 5,
"elements": [
"H",
"N",
"Cl",
"Co",
"Cd"
],
"chemical_system": "Cd-Cl-Co-H-N",
"density": 2.048423802207481,
"density_atomic": 0.0848312577813171,
"volume": 2923.4507006757894,
"volume_molar": 7.09896436467348,
"formula_full": "Cd8 Co8 H144 N48 Cl40",
"formula_reduced": "CdCoH18N6Cl5",
"formula_anonymous": "ABC5D6E18",
"energy": -1210.87830207,
"energy_per_atom": -4.8825737986693545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1168.99030207,
"band_gap": 2.4999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.215000Z",
"spacegroup": 228
}
]
}