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{
"id": "mp-720222",
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"structure_string": "Na6 Ca2 Al6 Si6 S2 O32\n1.0\n7.828680 0.000000 0.000000\n2.622961 7.402703 0.000000\n0.025454 0.018861 12.815827\nNa Ca Al Si S O\n6 2 6 6 2 32\ndirect\n0.194873 0.805242 0.821361 Na\n0.704032 0.297701 0.294374 Na\n0.182303 0.812194 0.173243 Na\n0.101300 0.503878 0.498704 Na\n0.003408 0.374940 0.001714 Na\n0.629621 0.995174 0.001039 Na\n0.678892 0.328834 0.699547 Ca\n0.495951 0.860251 0.500412 Ca\n0.628621 0.628015 0.874713 Al\n0.375365 0.369518 0.873762 Al\n0.116963 0.130490 0.629412 Al\n0.498686 0.997670 0.248585 Al\n0.871283 0.878943 0.630024 Al\n0.003124 0.499235 0.249767 Al\n0.007676 0.505076 0.750014 Si\n0.124703 0.119052 0.377243 Si\n0.493483 0.993871 0.749704 Si\n0.877294 0.872586 0.378014 Si\n0.628082 0.621157 0.123209 Si\n0.380484 0.372164 0.122770 Si\n0.509525 0.500285 0.503668 S\n0.990130 0.010340 0.995639 S\n0.553880 0.861093 0.849733 O\n0.005408 0.701914 0.707830 O\n0.805424 0.511985 0.788244 O\n0.412692 0.606514 0.596856 O\n0.700272 0.503889 0.509250 O\n0.062644 0.362524 0.652124 O\n0.465914 0.534711 0.838804 O\n0.055935 0.333723 0.349955 O\n0.491246 0.209240 0.201725 O\n0.657710 0.939661 0.353574 O\n0.198195 0.083348 0.498272 O\n0.142347 0.442114 0.849447 O\n0.508391 0.312554 0.509580 O\n0.293963 0.996593 0.306154 O\n0.885558 0.113414 0.904583 O\n0.903607 0.096112 0.095368 O\n0.181493 0.009860 0.991309 O\n0.550873 0.836491 0.149641 O\n0.492259 0.194734 0.784720 O\n0.948556 0.047929 0.359547 O\n0.920533 0.076882 0.649692 O\n0.634102 0.928636 0.649331 O\n0.701463 0.593331 0.004135 O\n0.991125 0.818996 0.992176 O\n0.900690 0.806042 0.498854 O\n0.298606 0.993762 0.704519 O\n0.421649 0.598557 0.407632 O\n0.995552 0.708169 0.303651 O\n0.456817 0.543607 0.141795 O\n0.164486 0.450155 0.149615 O\n0.791221 0.509103 0.201080 O\n0.411590 0.297739 0.003881 O\n",
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"formula_full": "Na6 Ca2 Al6 Si6 S2 O32",
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},
{
"id": "mp-1173736",
"created_at": "2022-09-04T14:44:25.486677Z",
"structure_string": "Na6 Ca2 Al6 Si6 S2 O32\n1.0\n6.436327 -6.416089 0.000000\n6.436327 6.416089 0.000000\n0.040412 0.000000 9.087953\nNa Ca Al Si S O\n6 2 6 6 2 32\ndirect\n0.793685 0.203296 0.205399 Na\n0.203296 0.205399 0.793685 Na\n0.703296 0.293685 0.705399 Na\n0.705399 0.703296 0.293685 Na\n0.293685 0.705399 0.703296 Na\n0.205399 0.793685 0.203296 Na\n0.320126 0.320126 0.320126 Ca\n0.820126 0.820126 0.820126 Ca\n0.997431 0.251437 0.501441 Al\n0.751437 0.497431 0.001441 Al\n0.251437 0.501441 0.997431 Al\n0.001441 0.751437 0.497431 Al\n0.501441 0.997431 0.251437 Al\n0.497431 0.001441 0.751437 Al\n0.249633 0.002233 0.500036 Si\n0.500036 0.249633 0.002233 Si\n0.000036 0.502233 0.749633 Si\n0.002233 0.500036 0.249633 Si\n0.502233 0.749633 0.000036 Si\n0.749633 0.000036 0.502233 Si\n0.994408 0.994408 0.994408 S\n0.494408 0.494408 0.494408 S\n0.350763 0.057940 0.359267 O\n0.653318 0.046870 0.647305 O\n0.087583 0.087583 0.087583 O\n0.898026 0.083665 0.892790 O\n0.848460 0.141187 0.451792 O\n0.153318 0.147305 0.546870 O\n0.546870 0.153318 0.147305 O\n0.447984 0.151129 0.862796 O\n0.359267 0.350763 0.057940 O\n0.641187 0.348460 0.951792 O\n0.057940 0.359267 0.350763 O\n0.947984 0.362796 0.651129 O\n0.583665 0.398026 0.392790 O\n0.398026 0.392790 0.583665 O\n0.862796 0.447984 0.151129 O\n0.141187 0.451792 0.848460 O\n0.147305 0.546870 0.153318 O\n0.859267 0.557940 0.850763 O\n0.392790 0.583665 0.398026 O\n0.587583 0.587583 0.587583 O\n0.951792 0.641187 0.348460 O\n0.046870 0.647305 0.653318 O\n0.647305 0.653318 0.046870 O\n0.362796 0.651129 0.947984 O\n0.451792 0.848460 0.141187 O\n0.557940 0.850763 0.859267 O\n0.850763 0.859267 0.557940 O\n0.151129 0.862796 0.447984 O\n0.892790 0.898026 0.083665 O\n0.083665 0.892790 0.898026 O\n0.651129 0.947984 0.362796 O\n0.348460 0.951792 0.641187 O\n",
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"chemical_system": "Al-Ca-Na-O-S-Si",
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"volume": 750.5930659917069,
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"formula_full": "Na6 Ca2 Al6 Si6 S2 O32",
"formula_reduced": "Na3CaAl3Si3SO16",
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"updated_at": "2021-11-28T01:36:37.956000Z",
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},
{
"id": "mp-1368522",
"created_at": "2022-09-04T14:48:18.001703Z",
"structure_string": "Na3 Ca1 Al3 Si3 S1 O16\n1.0\n7.811006 0.000000 0.000000\n-2.562966 7.392653 0.000000\n-2.465156 -3.805457 6.394156\nNa Ca Al Si S O\n3 1 3 3 1 16\ndirect\n0.009517 0.002077 0.362014 Na\n0.627457 0.998746 0.997777 Na\n0.005118 0.626620 0.999515 Na\n0.346338 0.379205 0.651585 Ca\n0.249635 0.751805 0.497249 Al\n0.493752 0.748929 0.757912 Al\n0.506853 0.251389 0.245880 Al\n0.243579 0.491347 0.255082 Si\n0.746824 0.251447 0.504981 Si\n0.755379 0.506291 0.747873 Si\n0.006047 0.001425 0.993143 S\n0.003440 0.018665 0.798358 O\n0.209252 0.011452 0.968250 O\n0.009762 0.190823 0.005766 O\n0.821674 0.808943 0.181556 O\n0.695228 0.011810 0.596502 O\n0.294756 0.302073 0.288670 O\n0.989358 0.703548 0.582003 O\n0.421234 0.000488 0.291350 O\n0.392601 0.689612 0.020734 O\n0.716939 0.310016 0.695375 O\n0.290719 0.675044 0.706962 O\n0.715045 0.423142 0.983844 O\n0.994419 0.403141 0.309248 O\n0.594641 0.299701 0.419593 O\n0.587052 0.576644 0.719189 O\n0.273380 0.565617 0.419588 O\n",
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"formula_full": "Na3 Ca1 Al3 Si3 S1 O16",
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},
{
"id": "mp-1221308",
"created_at": "2022-09-04T14:46:01.621479Z",
"structure_string": "Na3 Ca1 Al3 Si3 S1 O16\n1.0\n-4.431406 4.569326 -4.527220\n4.438845 -4.573383 -4.538825\n-4.451307 -4.592793 -4.531650\nNa Ca Al Si S O\n3 1 3 3 1 16\ndirect\n0.628468 0.635908 0.362014 Na\n0.374766 0.003477 0.997777 Na\n0.995367 0.373866 0.999515 Na\n0.002077 0.969210 0.651585 Ca\n0.253117 0.750947 0.497249 Al\n0.748336 0.493158 0.757912 Al\n0.247267 0.502731 0.245880 Al\n0.501339 0.253571 0.255082 Si\n0.748195 0.243572 0.504981 Si\n0.496748 0.745836 0.747873 Si\n0.000810 0.005432 0.993143 S\n0.198202 0.182976 0.798358 O\n0.822498 0.020298 0.968250 O\n0.984472 0.803411 0.005766 O\n0.996769 0.009501 0.181556 O\n0.708269 0.391688 0.596502 O\n0.416574 0.409257 0.288670 O\n0.428639 0.714449 0.582003 O\n0.287415 0.708162 0.291350 O\n0.586665 0.289654 0.020734 O\n0.587685 0.994609 0.695375 O\n0.002320 0.617994 0.706962 O\n0.301111 0.593014 0.983844 O\n0.696333 0.287612 0.309248 O\n0.985766 0.280706 0.419593 O\n0.693759 0.704167 0.719189 O\n0.307032 0.014795 0.419588 O\n",
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"volume": 369.2245309561817,
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"formula_full": "Na3 Ca1 Al3 Si3 S1 O16",
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{
"id": "mp-1204300",
"created_at": "2022-09-04T14:45:59.269577Z",
"structure_string": "Na4 Ca4 Al12 Si18 H32 O76\n1.0\n-0.000000 -0.000000 6.604197\n9.329241 -0.000000 3.302099\n-0.000000 28.658410 3.302099\nNa Ca Al Si H O\n4 4 12 18 32 76\ndirect\n0.174490 0.433130 0.977979 Na\n0.585599 0.566870 0.022021 Na\n0.357620 0.066870 0.477979 Na\n0.902469 0.933130 0.522021 Na\n0.228516 0.954851 0.845525 Ca\n0.028892 0.045149 0.154475 Ca\n0.933367 0.545149 0.345525 Ca\n0.824041 0.454851 0.654475 Ca\n0.353607 0.074841 0.939610 Al\n0.368059 0.925159 0.060390 Al\n0.178448 0.425159 0.439610 Al\n0.043218 0.574841 0.560390 Al\n0.552005 0.402061 0.775781 Al\n0.729847 0.597939 0.224219 Al\n0.704066 0.097939 0.275781 Al\n0.077786 0.902061 0.724219 Al\n0.406942 0.573143 0.895453 Al\n0.875538 0.426857 0.104547 Al\n0.730085 0.926857 0.395453 Al\n0.052395 0.073143 0.604547 Al\n0.748565 0.000000 1.000000 Si\n0.498565 0.500000 0.500000 Si\n0.853132 0.509487 0.836206 Si\n0.198826 0.490513 0.163794 Si\n0.112620 0.990513 0.336206 Si\n0.439339 0.009487 0.663794 Si\n0.229950 0.810927 0.970954 Si\n0.011831 0.189073 0.029046 Si\n0.790877 0.689073 0.470954 Si\n0.950904 0.310927 0.529046 Si\n0.161634 0.674283 0.805840 Si\n0.641756 0.325717 0.194160 Si\n0.585917 0.825717 0.305840 Si\n0.717473 0.174283 0.694160 Si\n0.315353 0.304974 0.860659 Si\n0.480986 0.695026 0.139341 Si\n0.370327 0.195026 0.360659 Si\n0.926012 0.804974 0.639341 Si\n0.777221 0.056868 0.900643 H\n0.734731 0.943132 0.099357 H\n0.584088 0.443132 0.400643 H\n0.427863 0.556868 0.599357 H\n0.758644 0.131728 0.851182 H\n0.741554 0.868272 0.148818 H\n0.640372 0.368272 0.351182 H\n0.359826 0.631728 0.648818 H\n0.707832 0.810613 0.812324 H\n0.330770 0.189387 0.187676 H\n0.268445 0.689387 0.312324 H\n0.270157 0.310613 0.687676 H\n0.638121 0.958418 0.785993 H\n0.382532 0.041582 0.214007 H\n0.346539 0.541582 0.285993 H\n0.174114 0.458418 0.714007 H\n0.790448 0.591205 0.932244 H\n0.313897 0.408795 0.067756 H\n0.131653 0.908795 0.432244 H\n0.472692 0.091205 0.567756 H\n0.862348 0.695699 0.962565 H\n0.520613 0.304301 0.037435 H\n0.308047 0.804301 0.462565 H\n0.574913 0.195699 0.537435 H\n0.084623 0.234140 0.792060 H\n0.110823 0.765860 0.207940 H\n0.068763 0.265860 0.292060 H\n0.626683 0.734140 0.707940 H\n0.195086 0.107601 0.754353 H\n0.057039 0.892399 0.245647 H\n0.052686 0.392399 0.254353 H\n0.699438 0.607601 0.745647 H\n0.688079 0.543759 0.884301 O\n0.116139 0.456241 0.115699 O\n0.981838 0.956241 0.384301 O\n0.322380 0.043759 0.615699 O\n0.740092 0.476995 0.793003 O\n0.010089 0.523005 0.206997 O\n0.967086 0.023005 0.293003 O\n0.283094 0.976995 0.706997 O\n0.618490 0.036701 0.954002 O\n0.609193 0.963299 0.045998 O\n0.405191 0.463299 0.454002 O\n0.322492 0.536701 0.545998 O\n0.326073 0.150141 0.883879 O\n0.360092 0.849859 0.116121 O\n0.226213 0.349859 0.383879 O\n0.959951 0.650141 0.616121 O\n0.115073 0.829777 0.780529 O\n0.725379 0.170223 0.219471 O\n0.694849 0.670223 0.280529 O\n0.645602 0.329777 0.719471 O\n0.313363 0.647181 0.951635 O\n0.912179 0.352819 0.048365 O\n0.710544 0.852819 0.451635 O\n0.014998 0.147181 0.548365 O\n0.273236 0.692722 0.852518 O\n0.818476 0.307278 0.147482 O\n0.715958 0.807278 0.352518 O\n0.875754 0.192722 0.647482 O\n0.507720 0.278324 0.817821 O\n0.603864 0.721676 0.182179 O\n0.536043 0.221676 0.317821 O\n0.075541 0.778324 0.682179 O\n0.179217 0.187141 0.983005 O\n0.349363 0.812859 0.016995 O\n0.116358 0.312859 0.483005 O\n0.912221 0.687141 0.516995 O\n0.282273 0.920224 0.930587 O\n0.133084 0.079776 0.069413 O\n0.952497 0.579776 0.430587 O\n0.962860 0.420224 0.569413 O\n0.303650 0.540445 0.772868 O\n0.616964 0.459555 0.227132 O\n0.594096 0.959555 0.272868 O\n0.826519 0.040445 0.727132 O\n0.339133 0.414845 0.899056 O\n0.653034 0.585155 0.100944 O\n0.503978 0.085155 0.399056 O\n0.988189 0.914845 0.600944 O\n0.072383 0.373440 0.842336 O\n0.288158 0.626560 0.157664 O\n0.195823 0.126560 0.342336 O\n0.664718 0.873440 0.657664 O\n0.923293 0.654020 0.823246 O\n0.400559 0.345980 0.176754 O\n0.327313 0.845980 0.323246 O\n0.496539 0.154020 0.676754 O\n0.965619 0.859989 0.985829 O\n0.811437 0.140011 0.014171 O\n0.575608 0.640011 0.485829 O\n0.701448 0.359989 0.514171 O\n0.861643 0.066750 0.870797 O\n0.799190 0.933250 0.129203 O\n0.678393 0.433250 0.370797 O\n0.482440 0.566750 0.629203 O\n0.580628 0.892523 0.804974 O\n0.278124 0.107477 0.195026 O\n0.223150 0.607477 0.304974 O\n0.135601 0.392523 0.695026 O\n0.840698 0.602469 0.962774 O\n0.405941 0.397531 0.037226 O\n0.193167 0.897531 0.462774 O\n0.553472 0.102469 0.537226 O\n0.143340 0.130654 0.787529 O\n0.061524 0.869346 0.212471 O\n0.023994 0.369346 0.287529 O\n0.680870 0.630654 0.712471 O\n",
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"formula_full": "Na4 Ca4 Al12 Si18 H32 O76",
"formula_reduced": "Na2Ca2Al6Si9(H8O19)2",
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},
{
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{
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"structure_string": "Na4 Ca4 Al4 Fe4 Si16 O48\n1.0\n5.024677 0.000000 -1.831848\n0.000000 8.891685 0.000000\n1.941187 0.000000 19.137976\nNa Ca Al Fe Si O\n4 4 4 4 16 48\ndirect\n0.000000 0.454875 0.375000 Na\n0.501334 0.955679 0.623178 Na\n0.500000 0.046226 0.375000 Na\n0.498666 0.955679 0.126822 Na\n0.993317 0.545221 0.126938 Ca\n0.500000 0.049903 0.875000 Ca\n0.000000 0.455341 0.875000 Ca\n0.006683 0.545221 0.623062 Ca\n0.996697 0.149315 0.620585 Al\n0.003303 0.149315 0.129415 Al\n0.500000 0.651031 0.375000 Al\n0.000000 0.849656 0.375000 Al\n0.500000 0.657780 0.875000 Fe\n0.498034 0.339838 0.620198 Fe\n0.501966 0.339838 0.129802 Fe\n0.000000 0.842197 0.875000 Fe\n0.197909 0.155001 0.985443 Si\n0.196134 0.849338 0.726531 Si\n0.292957 0.336919 0.765168 Si\n0.185197 0.154636 0.477475 Si\n0.304159 0.665202 0.515603 Si\n0.195735 0.846413 0.232548 Si\n0.305268 0.338944 0.273219 Si\n0.707043 0.336919 0.984832 Si\n0.304989 0.661758 0.022366 Si\n0.695011 0.661758 0.727634 Si\n0.802091 0.155001 0.764557 Si\n0.694732 0.338944 0.476781 Si\n0.804265 0.846413 0.517452 Si\n0.695841 0.665202 0.234397 Si\n0.814803 0.154636 0.272525 Si\n0.803866 0.849338 0.023469 Si\n0.090589 0.234379 0.801991 O\n0.220166 0.997012 0.948421 O\n0.225850 0.659391 0.935253 O\n0.086641 0.760804 0.548294 O\n0.278651 0.848468 0.813745 O\n0.184840 0.010058 0.686950 O\n0.196851 0.320926 0.678201 O\n0.284073 0.499631 0.800110 O\n0.413911 0.261401 0.955201 O\n0.090010 0.245083 0.306085 O\n0.248468 0.161879 0.565566 O\n0.175811 0.989519 0.441384 O\n0.232469 0.682275 0.427304 O\n0.289399 0.501489 0.548903 O\n0.409866 0.744330 0.696410 O\n0.083282 0.758009 0.053320 O\n0.268594 0.824566 0.320657 O\n0.193674 0.009341 0.195923 O\n0.202666 0.327399 0.185363 O\n0.327402 0.506105 0.308472 O\n0.417285 0.247960 0.451697 O\n0.586089 0.261401 0.794799 O\n0.715927 0.499631 0.949890 O\n0.252728 0.164702 0.072515 O\n0.721349 0.848468 0.936255 O\n0.303110 0.499194 0.059762 O\n0.409336 0.744309 0.201839 O\n0.590664 0.744309 0.548161 O\n0.696890 0.499194 0.690238 O\n0.774150 0.659391 0.814747 O\n0.779834 0.997012 0.801579 O\n0.747272 0.164702 0.677485 O\n0.909411 0.234379 0.948009 O\n0.582715 0.247960 0.298303 O\n0.672598 0.506105 0.441528 O\n0.797334 0.327399 0.564637 O\n0.806326 0.009341 0.554077 O\n0.731406 0.824566 0.429343 O\n0.916718 0.758009 0.696680 O\n0.590134 0.744330 0.053590 O\n0.710601 0.501489 0.201097 O\n0.767531 0.682275 0.322696 O\n0.824189 0.989519 0.308616 O\n0.751532 0.161879 0.184434 O\n0.909990 0.245083 0.443915 O\n0.803149 0.320926 0.071799 O\n0.815160 0.010058 0.063050 O\n0.913359 0.760804 0.201706 O\n",
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]
}