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{
"id": "mp-759330",
"created_at": "2022-09-04T14:47:44.125164Z",
"structure_string": "Rb16 Ge36 H60 N20\n1.0\n15.330133 0.000000 0.000000\n0.000000 9.180257 0.000000\n0.000000 0.581481 17.285263\nRb Ge H N\n16 36 60 20\ndirect\n0.279331 0.813283 0.907335 Rb\n0.220669 0.813283 0.407335 Rb\n0.550829 0.746914 0.753224 Rb\n0.949171 0.746914 0.253224 Rb\n0.226928 0.723314 0.647243 Rb\n0.273072 0.723314 0.147243 Rb\n0.647562 0.550563 0.550186 Rb\n0.852438 0.550563 0.050186 Rb\n0.147562 0.449437 0.949814 Rb\n0.352438 0.449437 0.449814 Rb\n0.726928 0.276686 0.852757 Rb\n0.773072 0.276686 0.352757 Rb\n0.050829 0.253086 0.746776 Rb\n0.449171 0.253086 0.246776 Rb\n0.779331 0.186717 0.592665 Rb\n0.720669 0.186717 0.092665 Rb\n0.845055 0.959555 0.764719 Ge\n0.654945 0.959555 0.264719 Ge\n0.990858 0.896491 0.690394 Ge\n0.509142 0.896491 0.190394 Ge\n0.920271 0.817045 0.880229 Ge\n0.579729 0.817045 0.380229 Ge\n0.841492 0.775661 0.652453 Ge\n0.658508 0.775661 0.152453 Ge\n0.057193 0.727617 0.801685 Ge\n0.782036 0.704593 0.810536 Ge\n0.442807 0.727617 0.301685 Ge\n0.717964 0.704593 0.310536 Ge\n0.992882 0.615965 0.674539 Ge\n0.507118 0.615965 0.174539 Ge\n0.931616 0.546235 0.839093 Ge\n0.568384 0.546235 0.339093 Ge\n0.839474 0.512421 0.713313 Ge\n0.339474 0.487579 0.786687 Ge\n0.660526 0.512421 0.213313 Ge\n0.160526 0.487579 0.286687 Ge\n0.431616 0.453765 0.660907 Ge\n0.068384 0.453765 0.160907 Ge\n0.492882 0.384035 0.825461 Ge\n0.007118 0.384035 0.325461 Ge\n0.282036 0.295407 0.689464 Ge\n0.557193 0.272383 0.698315 Ge\n0.217964 0.295407 0.189464 Ge\n0.942807 0.272383 0.198315 Ge\n0.341492 0.224339 0.847547 Ge\n0.158508 0.224339 0.347547 Ge\n0.420271 0.182955 0.619771 Ge\n0.079729 0.182955 0.119771 Ge\n0.490858 0.103509 0.809606 Ge\n0.009142 0.103509 0.309606 Ge\n0.345055 0.040445 0.735281 Ge\n0.154945 0.040445 0.235281 Ge\n0.134167 0.995544 0.585520 H\n0.580269 0.977526 0.607463 H\n0.365833 0.995544 0.085520 H\n0.919731 0.977526 0.107463 H\n0.659492 0.925994 0.997812 H\n0.728279 0.920485 0.925846 H\n0.840508 0.925994 0.497812 H\n0.771721 0.920485 0.425846 H\n0.671115 0.879212 0.609405 H\n0.377253 0.878622 0.546998 H\n0.828885 0.879212 0.109405 H\n0.500181 0.834062 0.998674 H\n0.595940 0.855151 0.541906 H\n0.122747 0.878622 0.046998 H\n0.478920 0.838692 0.905857 H\n0.999819 0.834062 0.498674 H\n0.904060 0.855151 0.041906 H\n0.021080 0.838692 0.405857 H\n0.074974 0.796188 0.976264 H\n0.425026 0.796188 0.476264 H\n0.413928 0.711665 0.560578 H\n0.510479 0.684979 0.950468 H\n0.086072 0.711665 0.060578 H\n0.989521 0.684979 0.450468 H\n0.660932 0.574965 0.945326 H\n0.839068 0.574965 0.445326 H\n0.111391 0.573133 0.520634 H\n0.388609 0.573133 0.020634 H\n0.845865 0.540934 0.539089 H\n0.654135 0.540934 0.039089 H\n0.345865 0.459066 0.960911 H\n0.154135 0.459066 0.460911 H\n0.611391 0.426867 0.979366 H\n0.888609 0.426867 0.479366 H\n0.160932 0.425035 0.554674 H\n0.339068 0.425035 0.054674 H\n0.010479 0.315021 0.549532 H\n0.913928 0.288335 0.939422 H\n0.489521 0.315021 0.049532 H\n0.586072 0.288335 0.439422 H\n0.574974 0.203812 0.523736 H\n0.925026 0.203812 0.023736 H\n0.978920 0.161308 0.594143 H\n0.095940 0.144849 0.958094 H\n0.000181 0.165938 0.501326 H\n0.521080 0.161308 0.094143 H\n0.877253 0.121378 0.953002 H\n0.404060 0.144849 0.458094 H\n0.499819 0.165938 0.001326 H\n0.171115 0.120788 0.890595 H\n0.622747 0.121378 0.453002 H\n0.328885 0.120788 0.390595 H\n0.228279 0.079515 0.574154 H\n0.159492 0.074006 0.502188 H\n0.271721 0.079515 0.074154 H\n0.340508 0.074006 0.002188 H\n0.080269 0.022474 0.892537 H\n0.634167 0.004456 0.914480 H\n0.419731 0.022474 0.392537 H\n0.865833 0.004456 0.414480 H\n0.685091 0.987968 0.952666 N\n0.814909 0.987968 0.452666 N\n0.604976 0.874938 0.599746 N\n0.895024 0.874938 0.099746 N\n0.472213 0.775405 0.955789 N\n0.381875 0.779508 0.521099 N\n0.027787 0.775405 0.455789 N\n0.118125 0.779508 0.021099 N\n0.664497 0.492632 0.986806 N\n0.164497 0.507368 0.513194 N\n0.835503 0.492632 0.486806 N\n0.335503 0.507368 0.013194 N\n0.881875 0.220492 0.978901 N\n0.972213 0.224595 0.544211 N\n0.618125 0.220492 0.478901 N\n0.527787 0.224595 0.044211 N\n0.104976 0.125062 0.900254 N\n0.395024 0.125062 0.400254 N\n0.185091 0.012032 0.547334 N\n0.314909 0.012032 0.047334 N\n",
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"elements": [
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],
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"density": 2.951013262037641,
"density_atomic": 0.05426217245364357,
"volume": 2432.633896344055,
"volume_molar": 11.09823010706905,
"formula_full": "Rb16 Ge36 H60 N20",
"formula_reduced": "Rb4Ge9(H3N)5",
"formula_anonymous": "A4B5C9D15",
"energy": -602.23819139,
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"updated_at": "2021-11-28T01:38:22.966000Z",
"spacegroup": 14
},
{
"id": "mp-16000",
"created_at": "2022-09-04T14:43:39.543586Z",
"structure_string": "Cs10 Ti12 Ag2 Se54\n1.0\n7.058542 -12.225754 0.000000\n7.058542 12.225754 0.000000\n0.000000 0.000000 14.089580\nCs Ti Ag Se\n10 12 2 54\ndirect\n0.653707 0.031165 0.752855 Cs\n0.333333 0.666667 0.449695 Cs\n0.666667 0.333333 0.583435 Cs\n0.333333 0.666667 0.083435 Cs\n0.666667 0.333333 0.949695 Cs\n0.968835 0.622542 0.752855 Cs\n0.377458 0.346293 0.752855 Cs\n0.031165 0.653707 0.252855 Cs\n0.622542 0.968835 0.252855 Cs\n0.346293 0.377458 0.252855 Cs\n0.016050 0.337596 0.393027 Ti\n0.985668 0.311542 0.633751 Ti\n0.688458 0.674127 0.633751 Ti\n0.325873 0.014332 0.633751 Ti\n0.311542 0.985668 0.133751 Ti\n0.674127 0.688458 0.133751 Ti\n0.014332 0.325873 0.133751 Ti\n0.983950 0.321546 0.893027 Ti\n0.678454 0.662404 0.893027 Ti\n0.337596 0.016050 0.893027 Ti\n0.321546 0.983950 0.393027 Ti\n0.662404 0.678454 0.393027 Ti\n0.000000 0.000000 0.506606 Ag\n0.000000 0.000000 0.006606 Ag\n0.155005 0.350680 0.009270 Se\n0.478158 0.178631 0.175851 Se\n0.821369 0.299528 0.175851 Se\n0.700472 0.521842 0.175851 Se\n0.178631 0.478158 0.675851 Se\n0.299528 0.821369 0.675851 Se\n0.521842 0.700472 0.675851 Se\n0.525410 0.125049 0.398503 Se\n0.874951 0.400361 0.398503 Se\n0.599639 0.474590 0.398503 Se\n0.125049 0.525410 0.898503 Se\n0.400361 0.874951 0.898503 Se\n0.987286 0.461319 0.019941 Se\n0.538681 0.525967 0.019941 Se\n0.474033 0.012714 0.019941 Se\n0.461319 0.987286 0.519941 Se\n0.525967 0.538681 0.519941 Se\n0.012714 0.474033 0.519941 Se\n0.095111 0.201663 0.117705 Se\n0.798337 0.893448 0.117705 Se\n0.106552 0.904889 0.117705 Se\n0.201663 0.095111 0.617705 Se\n0.893448 0.798337 0.617705 Se\n0.904889 0.106552 0.617705 Se\n0.074750 0.190715 0.388083 Se\n0.809285 0.884035 0.388083 Se\n0.115965 0.925250 0.388083 Se\n0.190715 0.074750 0.888083 Se\n0.884035 0.809285 0.888083 Se\n0.925250 0.115965 0.888083 Se\n0.134339 0.461992 0.260326 Se\n0.538008 0.672347 0.260326 Se\n0.327653 0.865661 0.260326 Se\n0.461992 0.134339 0.760326 Se\n0.672347 0.538008 0.760326 Se\n0.865661 0.327653 0.760326 Se\n0.474590 0.599639 0.898503 Se\n0.649320 0.804325 0.009270 Se\n0.195675 0.844995 0.009270 Se\n0.350680 0.155005 0.509270 Se\n0.804325 0.649320 0.509270 Se\n0.844995 0.195675 0.509270 Se\n0.309569 0.109130 0.264651 Se\n0.890870 0.200439 0.264651 Se\n0.799561 0.690431 0.264651 Se\n0.109130 0.309569 0.764651 Se\n0.669672 0.818549 0.509080 Se\n0.690431 0.799561 0.764651 Se\n0.330328 0.148877 0.009080 Se\n0.851123 0.181451 0.009080 Se\n0.818549 0.669672 0.009080 Se\n0.148877 0.330328 0.509080 Se\n0.181451 0.851123 0.509080 Se\n0.200439 0.890870 0.764651 Se\n",
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"elements": [
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"Ag",
"Se"
],
"chemical_system": "Ag-Cs-Se-Ti",
"density": 4.3587064250401975,
"density_atomic": 0.03207568232496455,
"volume": 2431.7487375566284,
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"formula_full": "Cs10 Ti12 Ag2 Se54",
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"energy": -389.55440406,
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"updated_at": "2021-11-28T01:36:16.208000Z",
"spacegroup": 159
},
{
"id": "mp-1245310",
"created_at": "2022-09-04T14:40:28.843547Z",
"structure_string": "Zn50 S50\n1.0\n13.982088 0.015185 -0.867798\n-0.022259 13.301776 -0.722770\n-0.885770 -0.767465 13.168028\nZn S\n50 50\ndirect\n0.275771 0.794467 0.350225 Zn\n0.460328 0.579947 0.494687 Zn\n0.018864 0.908707 0.743159 Zn\n0.575897 0.438499 0.255478 Zn\n0.254316 0.846644 0.548572 Zn\n0.488618 0.969207 0.231909 Zn\n0.775748 0.835810 0.369497 Zn\n0.312018 0.116274 0.302696 Zn\n0.471480 0.490940 0.970954 Zn\n0.847076 0.790443 0.110421 Zn\n0.672626 0.389527 0.794472 Zn\n0.565646 0.987547 0.978598 Zn\n0.213435 0.188140 0.530117 Zn\n0.646736 0.095862 0.830709 Zn\n0.773555 0.851058 0.750080 Zn\n0.659745 0.685194 0.157882 Zn\n0.220242 0.702831 0.804076 Zn\n0.056527 0.049119 0.658792 Zn\n0.244422 0.246645 0.905182 Zn\n0.930261 0.444686 0.877968 Zn\n0.346797 0.075838 0.002779 Zn\n0.197469 0.994816 0.802387 Zn\n0.581688 0.461289 0.562797 Zn\n0.423757 0.812510 0.782416 Zn\n0.733945 0.616111 0.493987 Zn\n0.105712 0.821762 0.008871 Zn\n0.549813 0.262249 0.026171 Zn\n0.889704 0.270175 0.311702 Zn\n0.002722 0.360640 0.623489 Zn\n0.437132 0.202624 0.732875 Zn\n0.821927 0.578493 0.659334 Zn\n0.400508 0.910745 0.477036 Zn\n0.950879 0.047303 0.155446 Zn\n0.445265 0.254883 0.159934 Zn\n0.499957 0.589063 0.695445 Zn\n0.515932 0.740684 0.925835 Zn\n0.553238 0.908575 0.606245 Zn\n0.318190 0.530261 0.349716 Zn\n0.171331 0.518494 0.909284 Zn\n0.002563 0.024526 0.421310 Zn\n0.721865 0.615200 0.897861 Zn\n0.569457 0.829707 0.420341 Zn\n0.279892 0.388731 0.104949 Zn\n0.981590 0.775888 0.324871 Zn\n0.286058 0.598907 0.532249 Zn\n0.130259 0.344915 0.277261 Zn\n0.001277 0.006932 0.940716 Zn\n0.005773 0.298912 0.068796 Zn\n0.783130 0.422253 0.525796 Zn\n0.441634 0.269588 0.427352 Zn\n0.439665 0.946524 0.053201 S\n0.720207 0.247563 0.082630 S\n0.129993 0.700694 0.344425 S\n0.107116 0.202027 0.773887 S\n0.198725 0.477663 0.217648 S\n0.165047 0.977644 0.970929 S\n0.995562 0.870781 0.132968 S\n0.827098 0.700073 0.246684 S\n0.711403 0.003762 0.687556 S\n0.909105 0.138288 0.653347 S\n0.924949 0.858234 0.855125 S\n0.541022 0.945765 0.791271 S\n0.261290 0.845325 0.733500 S\n0.561875 0.540260 0.124121 S\n0.721891 0.687204 0.746975 S\n0.972394 0.371501 0.221452 S\n0.707541 0.070500 0.000429 S\n0.784296 0.457870 0.931296 S\n0.456838 0.731020 0.623387 S\n0.071394 0.391070 0.956592 S\n0.504208 0.668037 0.362812 S\n0.558787 0.526597 0.841462 S\n0.340639 0.943982 0.301126 S\n0.929462 0.879263 0.453053 S\n0.268423 0.208483 0.089088 S\n0.148490 0.025586 0.524003 S\n0.372641 0.673148 0.268964 S\n0.476912 0.146337 0.291727 S\n0.704370 0.479541 0.373985 S\n0.153559 0.542841 0.728424 S\n0.695860 0.758344 0.013178 S\n0.153026 0.292151 0.668431 S\n0.337345 0.115915 0.830620 S\n0.897832 0.096236 0.305707 S\n0.384360 0.209975 0.565184 S\n0.187772 0.208329 0.353807 S\n0.714203 0.785540 0.516321 S\n0.622305 0.866142 0.266141 S\n0.680975 0.340499 0.621518 S\n0.305069 0.566897 0.705443 S\n0.317881 0.419481 0.945286 S\n0.146342 0.701472 0.505845 S\n0.958316 0.501680 0.729879 S\n0.203936 0.690170 0.974402 S\n0.712610 0.290110 0.231301 S\n0.787573 0.066577 0.579252 S\n0.433236 0.390159 0.312063 S\n0.922490 0.370143 0.469120 S\n0.573288 0.253534 0.840639 S\n0.936878 0.141149 0.019639 S\n",
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},
{
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{
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{
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{
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"structure_string": "Zn50 S50\n1.0\n13.846688 -0.450528 -0.239406\n-0.429982 12.375967 0.422482\n-0.221103 0.448969 14.188749\nZn S\n50 50\ndirect\n0.562784 0.944524 0.553803 Zn\n0.385545 0.540310 0.934753 Zn\n0.852482 0.255483 0.795886 Zn\n0.640473 0.353954 0.940541 Zn\n0.017713 0.094449 0.427205 Zn\n0.577843 0.210109 0.463931 Zn\n0.850090 0.826084 0.524737 Zn\n0.624217 0.868027 0.110013 Zn\n0.424605 0.265544 0.634527 Zn\n0.760541 0.032995 0.949915 Zn\n0.664007 0.417655 0.636436 Zn\n0.629546 0.087002 0.041438 Zn\n0.822317 0.508533 0.117807 Zn\n0.957735 0.972526 0.742188 Zn\n0.441241 0.488925 0.779203 Zn\n0.627754 0.597544 0.245851 Zn\n0.040936 0.863274 0.553156 Zn\n0.141901 0.844315 0.065363 Zn\n0.083628 0.159427 0.135359 Zn\n0.350493 0.830914 0.466184 Zn\n0.032438 0.204498 0.911200 Zn\n0.624150 0.163550 0.754997 Zn\n0.703645 0.416754 0.401724 Zn\n0.732774 0.911777 0.726276 Zn\n0.325130 0.986758 0.908919 Zn\n0.142363 0.666912 0.909210 Zn\n0.812628 0.634621 0.551446 Zn\n0.399732 0.550826 0.208812 Zn\n0.793069 0.077035 0.435450 Zn\n0.389917 0.281365 0.926612 Zn\n0.128891 0.968137 0.258975 Zn\n0.019639 0.571451 0.545999 Zn\n0.168622 0.521892 0.394935 Zn\n0.193316 0.299403 0.055939 Zn\n0.072326 0.503832 0.128569 Zn\n0.354756 0.966238 0.074961 Zn\n0.551485 0.016918 0.303401 Zn\n0.894614 0.543523 0.882202 Zn\n0.249240 0.042866 0.621032 Zn\n0.154170 0.306826 0.235984 Zn\n0.485459 0.534339 0.456276 Zn\n0.594933 0.593855 0.025490 Zn\n0.205620 0.294411 0.653528 Zn\n0.947738 0.534708 0.300665 Zn\n0.967758 0.211873 0.586362 Zn\n0.285129 0.798988 0.705004 Zn\n0.853927 0.859998 0.257176 Zn\n0.953946 0.697242 0.965841 Zn\n0.134178 0.528192 0.710172 Zn\n0.944717 0.787850 0.694471 Zn\n0.515877 0.991872 0.146619 S\n0.160728 0.131118 0.983638 S\n0.542530 0.375233 0.397326 S\n0.952091 0.362435 0.956265 S\n0.090328 0.328957 0.765784 S\n0.900522 0.092844 0.857348 S\n0.088254 0.444424 0.976012 S\n0.730692 0.501930 0.978712 S\n0.736778 0.957090 0.567771 S\n0.975171 0.602806 0.697037 S\n0.756073 0.743888 0.801709 S\n0.421961 0.697856 0.647115 S\n0.340640 0.382866 0.035770 S\n0.753223 0.786842 0.936920 S\n0.042973 0.642623 0.396043 S\n0.666628 0.145045 0.346561 S\n0.602114 0.771992 0.969711 S\n0.350776 0.660296 0.063289 S\n0.362507 0.650118 0.517063 S\n0.647529 0.000781 0.823822 S\n0.777545 0.504397 0.275628 S\n0.706554 0.328521 0.781530 S\n0.060341 0.068253 0.620225 S\n-0.000032 0.382936 0.238785 S\n0.257106 0.458759 0.282213 S\n0.218521 0.869664 0.555736 S\n0.495914 0.651374 0.322272 S\n0.790663 0.447214 0.540487 S\n0.539567 0.206655 0.939015 S\n0.958180 0.341857 0.689664 S\n0.243586 0.633715 0.793812 S\n0.068841 0.832295 0.918675 S\n0.506885 0.450261 0.626538 S\n0.939972 0.054427 0.137270 S\n0.895296 0.941662 0.392063 S\n0.149837 0.455118 0.557688 S\n0.454167 0.973240 0.427520 S\n0.720041 0.770397 0.205891 S\n0.343601 0.310137 0.770854 S\n0.152932 0.111821 0.343705 S\n0.539189 0.482676 0.142505 S\n0.200480 0.650492 0.067530 S\n0.247327 0.891091 0.185028 S\n0.334813 0.967419 0.753594 S\n0.556314 0.771810 0.630029 S\n0.952963 0.634891 0.126096 S\n0.286795 0.209067 0.547505 S\n0.906451 0.223925 0.440190 S\n0.542185 0.138210 0.612438 S\n0.993482 0.900435 0.168213 S\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.3365784248245878,
"density_atomic": 0.04122811198476839,
"volume": 2425.529455167501,
"volume_molar": 14.606879796544801,
"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -330.62365955,
"energy_per_atom": -3.3062365955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -305.47365955,
"band_gap": 0.8603999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.687000Z",
"spacegroup": 1
},
{
"id": "mp-1244980",
"created_at": "2022-09-04T14:41:28.190632Z",
"structure_string": "Zn50 S50\n1.0\n13.523108 0.512789 -0.311606\n0.611428 13.237389 0.027604\n-0.379339 0.062859 13.579824\nZn S\n50 50\ndirect\n0.920983 0.450821 0.978882 Zn\n0.432946 0.209336 0.142651 Zn\n0.351017 0.000173 0.949870 Zn\n0.939384 0.708109 0.986125 Zn\n0.299028 0.132261 0.719589 Zn\n0.688827 0.752883 0.926780 Zn\n0.850720 0.230635 0.194601 Zn\n0.524335 0.523391 0.376210 Zn\n0.906176 0.637232 0.811140 Zn\n0.152914 0.783530 0.157450 Zn\n0.289193 0.783104 0.282072 Zn\n0.068177 0.147810 0.038118 Zn\n0.343458 0.375195 0.679517 Zn\n0.823229 0.484781 0.371449 Zn\n0.882524 0.261800 0.902124 Zn\n0.413420 0.271685 0.900908 Zn\n0.502590 0.487724 0.044937 Zn\n0.567672 0.172260 0.770092 Zn\n0.993327 0.039605 0.278965 Zn\n0.642446 0.281035 0.011965 Zn\n0.207854 0.063126 0.410296 Zn\n0.006465 0.881025 0.504607 Zn\n0.633565 0.642370 0.130513 Zn\n0.747100 0.010880 0.389837 Zn\n0.614900 0.762970 0.350435 Zn\n0.816072 0.243570 0.439112 Zn\n0.098175 0.959724 0.003933 Zn\n0.946938 0.417693 0.585022 Zn\n0.006671 0.665757 0.495234 Zn\n0.874023 0.151720 0.631596 Zn\n0.245257 0.525674 0.410604 Zn\n0.474642 0.000235 0.365615 Zn\n0.827680 0.753345 0.264903 Zn\n0.159510 0.284102 0.260174 Zn\n0.779378 0.703373 0.547559 Zn\n0.327079 0.748670 0.097222 Zn\n0.548043 0.633015 0.837085 Zn\n0.048729 0.559986 0.152380 Zn\n0.279941 0.793505 0.497023 Zn\n0.376263 0.262097 0.355041 Zn\n0.311542 0.609760 0.663244 Zn\n0.303153 0.810855 0.763071 Zn\n0.119940 0.315065 0.822198 Zn\n0.047259 0.748463 0.790811 Zn\n0.532444 0.928941 0.801458 Zn\n0.822992 0.969325 0.852232 Zn\n0.058354 0.075151 0.849637 Zn\n0.311967 0.545067 0.887555 Zn\n0.292539 0.446785 0.172710 Zn\n0.860468 0.885278 0.157626 Zn\n0.497549 0.760465 0.164240 S\n0.360759 0.971969 0.774366 S\n0.642408 0.557343 0.988518 S\n0.439767 0.528966 0.773778 S\n0.543084 0.343157 0.130948 S\n0.768655 0.339453 0.304553 S\n0.521945 0.795303 0.907045 S\n0.048615 0.025969 0.441874 S\n0.026929 0.192683 0.201513 S\n0.345838 0.566794 0.057817 S\n0.422972 0.214529 0.660570 S\n0.275402 0.376951 0.842662 S\n0.072600 0.764318 0.615694 S\n0.569901 0.316268 0.858966 S\n0.186472 0.700834 0.393237 S\n0.039875 0.314849 0.967958 S\n0.034302 0.916744 0.156773 S\n0.449116 0.121883 0.990565 S\n0.797094 0.207408 0.032208 S\n0.958036 0.255572 0.539416 S\n0.240225 0.482977 0.578412 S\n0.134951 0.166672 0.734122 S\n0.324067 0.930566 0.386057 S\n0.228065 0.230632 0.416498 S\n0.270703 0.280828 0.130756 S\n0.976280 0.458690 0.749270 S\n0.103312 0.671053 0.042568 S\n0.870581 0.789200 0.438639 S\n0.214110 0.677133 0.804826 S\n0.387977 0.440959 0.333419 S\n0.386346 0.754045 0.622100 S\n0.885966 0.566261 0.091257 S\n0.618923 0.909880 0.425339 S\n0.818022 0.044718 0.245687 S\n0.145048 0.468621 0.265386 S\n0.744066 0.119246 0.521894 S\n0.007644 0.906487 0.855752 S\n0.711275 0.627196 0.285339 S\n0.978803 0.508468 0.447775 S\n0.462620 0.700140 0.303518 S\n0.812042 0.846525 0.984252 S\n0.724251 0.655302 0.780293 S\n0.500161 0.153344 0.301711 S\n0.258286 0.874028 0.983628 S\n0.845585 0.425062 0.818583 S\n0.727251 0.780537 0.685902 S\n0.657642 0.019631 0.767647 S\n0.886265 0.124797 0.797423 S\n0.596791 0.524061 0.529129 S\n0.750154 0.532529 0.525132 S\n",
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"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.337210928998438,
"density_atomic": 0.04123592746205983,
"volume": 2425.069742689977,
"volume_molar": 14.604111343296022,
"formula_full": "Zn50 S50",
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"updated_at": "2021-11-28T01:35:24.614000Z",
"spacegroup": 1
}
]
}