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{
"id": "mp-1212565",
"created_at": "2022-09-04T14:42:58.803476Z",
"structure_string": "Na4 Ca2 Zr4 Si20 H2 O52\n1.0\n7.932407 5.212962 0.000000\n-7.932407 5.212962 0.000000\n0.000000 4.822511 18.278178\nNa Ca Zr Si H O\n4 2 4 20 2 52\ndirect\n0.036968 0.102920 0.806236 Na\n0.102920 0.036968 0.306236 Na\n0.321490 0.260478 0.983243 Na\n0.260478 0.321490 0.483243 Na\n0.496214 0.725555 0.895841 Ca\n0.725555 0.496214 0.395841 Ca\n0.106411 0.604698 0.886103 Zr\n0.604698 0.106411 0.386103 Zr\n0.146313 0.633544 0.385783 Zr\n0.633544 0.146313 0.885783 Zr\n0.394602 0.974092 0.771540 Si\n0.974092 0.394602 0.271540 Si\n0.874299 0.269106 0.001976 Si\n0.269106 0.874299 0.501976 Si\n0.822328 0.421297 0.629797 Si\n0.421297 0.822328 0.129797 Si\n0.882927 0.277295 0.492468 Si\n0.277295 0.882927 0.992468 Si\n0.930371 0.732385 0.512801 Si\n0.732385 0.930371 0.012801 Si\n0.738279 0.935093 0.508670 Si\n0.935093 0.738279 0.008670 Si\n0.975312 0.385254 0.765779 Si\n0.385254 0.975312 0.265779 Si\n0.425447 0.830848 0.631687 Si\n0.830848 0.425447 0.131687 Si\n0.321605 0.523862 0.751319 Si\n0.523862 0.321605 0.251319 Si\n0.319145 0.519504 0.251366 Si\n0.519504 0.319145 0.751366 Si\n0.593094 0.500955 0.948740 H\n0.500955 0.593094 0.448740 H\n0.887323 0.604327 0.588679 O\n0.604327 0.887323 0.088679 O\n0.269167 0.751086 0.942950 O\n0.751086 0.269167 0.442950 O\n0.826919 0.313202 0.571116 O\n0.313202 0.826919 0.071116 O\n0.436950 0.943695 0.690069 O\n0.943695 0.436950 0.190069 O\n0.141231 0.370695 0.260708 O\n0.370695 0.141231 0.760708 O\n0.795374 0.795949 0.515572 O\n0.795949 0.795374 0.015572 O\n0.976959 0.525951 0.318389 O\n0.525951 0.976959 0.818389 O\n0.298604 0.841180 0.584602 O\n0.841180 0.298604 0.084602 O\n0.603601 0.316011 0.819493 O\n0.316011 0.603601 0.319493 O\n0.597635 0.892781 0.579149 O\n0.892781 0.597635 0.079149 O\n0.885217 0.102052 0.509804 O\n0.102052 0.885217 0.009804 O\n0.935156 0.409999 0.685269 O\n0.409999 0.935156 0.185269 O\n0.857917 0.212346 0.815930 O\n0.212346 0.857917 0.315930 O\n0.952745 0.683266 0.931392 O\n0.683266 0.952745 0.431392 O\n0.150874 0.376281 0.753834 O\n0.376281 0.150874 0.253834 O\n0.046906 0.402168 0.955534 O\n0.402168 0.046906 0.455534 O\n0.883513 0.097589 0.009587 O\n0.097589 0.883513 0.509587 O\n0.735638 0.265944 0.960217 O\n0.265944 0.735638 0.460217 O\n0.368414 0.650460 0.674716 O\n0.650460 0.368414 0.174716 O\n0.657835 0.939088 0.940401 O\n0.939088 0.657835 0.440401 O\n0.358181 0.640135 0.173350 O\n0.640135 0.358181 0.673350 O\n0.508138 0.493343 0.450751 O\n0.493343 0.508138 0.950751 O\n0.315980 0.605433 0.821841 O\n0.605433 0.315980 0.321841 O\n0.998385 0.534283 0.803692 O\n0.534283 0.998385 0.303692 O\n0.447989 0.448384 0.750020 O\n0.448384 0.447989 0.250020 O\n0.060940 0.403074 0.452585 O\n0.403074 0.060940 0.952585 O\n",
"nsites": 84,
"nelements": 6,
"elements": [
"Na",
"Ca",
"Zr",
"Si",
"H",
"O"
],
"chemical_system": "Ca-H-Na-O-Si-Zr",
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"density_atomic": 0.05556826534900832,
"volume": 1511.6541693792333,
"volume_molar": 10.837374033860268,
"formula_full": "Na4 Ca2 Zr4 Si20 H2 O52",
"formula_reduced": "Na2CaZr2Si10HO26",
"formula_anonymous": "ABC2D2E10F26",
"energy": -676.23447197,
"energy_per_atom": -8.050410380595238,
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"updated_at": "2021-11-28T01:35:59.352000Z",
"spacegroup": 9
},
{
"id": "mp-667200",
"created_at": "2022-09-04T14:47:26.054864Z",
"structure_string": "Na4 Ca8 Ti4 Si8 O32 F4\n1.0\n-5.803613 0.000000 0.000000\n-0.006480 -7.631872 0.000000\n0.109371 3.808756 19.067321\nNa Ca Ti Si O F\n4 8 4 8 32 4\ndirect\n0.737020 0.995795 0.508126 Na\n0.020644 0.004913 0.003515 Na\n0.020268 0.498670 0.003379 Na\n0.733213 0.519565 0.508979 Na\n0.909199 0.334462 0.669359 Ca\n0.538206 0.659313 0.326091 Ca\n0.217433 0.663144 0.823600 Ca\n0.530193 0.160354 0.322871 Ca\n0.808167 0.835434 0.177057 Ca\n0.225102 0.157391 0.822288 Ca\n0.820881 0.339799 0.176855 Ca\n0.942971 0.836000 0.673786 Ca\n0.257892 0.262531 0.516550 Ti\n0.463640 0.262191 0.025614 Ti\n0.595569 0.735550 0.971780 Ti\n0.181245 0.733747 0.474327 Ti\n0.713198 0.943324 0.847585 Si\n0.422149 0.100122 0.647846 Si\n0.311275 0.057935 0.153199 Si\n0.312909 0.594737 0.151843 Si\n0.043506 0.936321 0.347115 Si\n0.044001 0.402853 0.349547 Si\n0.425497 0.549466 0.648954 Si\n0.713615 0.404915 0.844367 Si\n0.296488 0.722792 0.950176 O\n0.290048 0.904118 0.311394 O\n0.335703 0.481532 0.072645 O\n0.322654 0.221060 0.942175 O\n0.328030 0.096407 0.074531 O\n0.763927 0.273695 0.047181 O\n0.685825 0.608191 0.665910 O\n0.938213 0.400566 0.795808 O\n0.481306 0.725284 0.453501 O\n0.388326 0.480386 0.565331 O\n0.390184 0.092337 0.564551 O\n0.680103 0.054298 0.666142 O\n0.948646 0.896814 0.804867 O\n0.031348 0.514571 0.429595 O\n0.196602 0.085019 0.693155 O\n0.732806 0.911453 0.927158 O\n0.544241 0.100132 0.197978 O\n0.751457 0.527802 0.921214 O\n0.465042 0.908304 0.812719 O\n0.289441 0.403557 0.313619 O\n0.056378 0.090528 0.183303 O\n0.959604 0.273452 0.545336 O\n0.201947 0.611403 0.694858 O\n0.055418 0.589303 0.179316 O\n0.403559 0.217949 0.435459 O\n0.028450 0.898896 0.426207 O\n0.808051 0.409639 0.306137 O\n0.057608 0.781705 0.558555 O\n0.541519 0.596542 0.198463 O\n0.458581 0.404038 0.814112 O\n0.806514 0.889015 0.304186 O\n0.729042 0.774515 0.056080 O\n0.314934 0.816977 0.132201 F\n0.998264 0.178195 0.366454 F\n0.748043 0.186507 0.866571 F\n0.456908 0.337490 0.674481 F\n",
"nsites": 60,
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"elements": [
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"Ca",
"Ti",
"Si",
"O",
"F"
],
"chemical_system": "Ca-F-Na-O-Si-Ti",
"density": 2.7855483416246014,
"density_atomic": 0.07104475970070159,
"volume": 844.5380103017997,
"volume_molar": 8.47654462534628,
"formula_full": "Na4 Ca8 Ti4 Si8 O32 F4",
"formula_reduced": "NaCa2TiSi2O8F",
"formula_anonymous": "ABCD2E2F8",
"energy": -454.44892231,
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"total_magnetization": 1.91e-05,
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"updated_at": "2021-11-28T01:38:12.485000Z",
"spacegroup": 1
},
{
"id": "mp-1263670",
"created_at": "2022-09-04T14:43:40.956976Z",
"structure_string": "Na4 Ca8 Ti4 Si8 O32 F4\n1.0\n5.815076 0.025324 0.112108\n0.003661 7.418829 -1.493783\n0.374231 0.014809 19.298549\nNa Ca Ti Si O F\n4 8 4 8 32 4\ndirect\n0.283787 0.710075 0.500387 Na\n0.960666 0.990115 0.998195 Na\n0.985677 0.482790 0.993054 Na\n0.288229 0.199952 0.499978 Na\n0.023633 0.654108 0.324829 Ca\n0.546736 0.318771 0.679328 Ca\n0.731089 0.825973 0.177458 Ca\n0.542838 0.831447 0.673573 Ca\n0.214613 0.642122 0.818662 Ca\n0.724757 0.323568 0.181460 Ca\n0.205454 0.147851 0.822145 Ca\n0.015202 0.140129 0.322713 Ca\n0.788644 0.937105 0.499639 Ti\n0.526377 0.228099 0.976392 Ti\n0.396702 0.750482 0.025313 Ti\n0.788864 0.362890 0.501626 Ti\n0.243587 0.080097 0.152598 Si\n0.516093 0.426680 0.359956 Si\n0.713018 0.895250 0.844367 Si\n0.705760 0.436486 0.853717 Si\n0.030139 0.566600 0.643188 Si\n0.038096 0.041170 0.647406 Si\n0.515096 0.895935 0.354238 Si\n0.244485 0.545612 0.154150 Si\n0.690267 0.770062 0.048322 O\n0.778379 0.576916 0.679670 O\n0.659434 0.413213 0.934506 O\n0.649278 0.258979 0.060748 O\n0.681035 0.022935 0.921711 O\n0.231619 0.212219 0.952754 O\n0.267881 0.906369 0.322655 O\n0.002334 0.590368 0.197334 O\n0.630399 0.249929 0.558446 O\n0.536061 0.982378 0.436834 O\n0.545649 0.427898 0.443758 O\n0.262925 0.384463 0.332397 O\n0.000500 0.078080 0.195161 O\n0.049381 0.037937 0.563701 O\n0.744869 0.379267 0.310147 O\n0.239734 0.964504 0.072828 O\n0.487999 0.883645 0.798278 O\n0.244534 0.584452 0.074715 O\n0.481639 0.082020 0.189920 O\n0.794290 0.076268 0.688249 O\n0.971136 0.892973 0.813320 O\n0.948882 0.762901 0.443015 O\n0.745336 0.889172 0.304772 O\n0.965169 0.395680 0.825690 O\n0.620683 0.822096 0.555882 O\n0.042914 0.481739 0.558452 O\n0.266008 0.096446 0.691184 O\n0.940336 0.188266 0.444879 O\n0.489469 0.388651 0.804832 O\n0.482522 0.578418 0.192073 O\n0.253107 0.543405 0.687298 O\n0.277346 0.709721 0.939962 O\n0.712569 0.678980 0.870163 F\n0.088479 0.795518 0.636495 F\n0.212399 0.303303 0.132305 F\n0.502900 0.664523 0.367172 F\n",
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"volume": 832.361199906215,
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"formula_full": "Na4 Ca8 Ti4 Si8 O32 F4",
"formula_reduced": "NaCa2TiSi2O8F",
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"energy": -455.67207557,
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"updated_at": "2021-11-28T01:36:23.690000Z",
"spacegroup": 1
},
{
"id": "mp-1221464",
"created_at": "2022-09-04T14:39:05.342729Z",
"structure_string": "Na2 Ca5 Ti1 Si4 O16 F2\n1.0\n-5.809622 0.000000 0.000000\n-0.005923 -7.440916 0.000000\n1.939382 1.875309 9.406853\nNa Ca Ti Si O F\n2 5 1 4 16 2\ndirect\n0.998457 0.499684 0.000865 Na\n0.778504 0.593326 0.366081 Na\n0.509030 0.763871 0.012528 Ca\n0.497338 0.235523 0.990636 Ca\n0.792899 0.088560 0.360701 Ca\n0.208325 0.909164 0.638770 Ca\n0.210567 0.410045 0.634895 Ca\n0.001829 0.999927 0.996769 Ti\n0.250864 0.352556 0.283059 Si\n0.749198 0.646965 0.716213 Si\n0.249967 0.786225 0.278339 Si\n0.746814 0.214474 0.721130 Si\n0.751427 0.031754 0.105632 O\n0.248437 0.967782 0.896000 O\n0.527901 0.845053 0.320753 O\n0.466823 0.163605 0.674068 O\n0.522809 0.326336 0.355906 O\n0.473622 0.664431 0.645887 O\n0.216977 0.559716 0.245008 O\n0.785605 0.441002 0.757908 O\n0.164450 0.828331 0.116234 O\n0.832326 0.168581 0.882278 O\n0.090086 0.870694 0.389450 O\n0.919609 0.139690 0.613881 O\n0.192703 0.221645 0.123101 O\n0.806312 0.780957 0.876053 O\n0.075184 0.327698 0.387763 O\n0.941606 0.665926 0.620554 O\n0.683669 0.518543 0.104912 F\n0.306661 0.477936 0.884623 F\n",
"nsites": 30,
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"elements": [
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],
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"formula_full": "Na2 Ca5 Ti1 Si4 O16 F2",
"formula_reduced": "Na2Ca5TiSi4(O8F)2",
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"energy": -222.22477457,
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"spacegroup": 1
},
{
"id": "mp-1211154",
"created_at": "2022-09-04T14:42:21.522773Z",
"structure_string": "Na6 Ca8 Ti2 Si8 O32 F4\n1.0\n5.689929 0.000000 0.000000\n0.000000 7.458434 0.000000\n0.000000 0.007251 18.819196\nNa Ca Ti Si O F\n6 8 2 8 32 4\ndirect\n0.348845 0.623102 0.249298 Na\n0.848845 0.376898 0.750702 Na\n0.847600 0.858760 0.245956 Na\n0.347600 0.141240 0.754044 Na\n0.340707 0.612300 0.752912 Na\n0.840707 0.387700 0.247088 Na\n0.182907 0.877026 0.552180 Ca\n0.682907 0.122974 0.447820 Ca\n0.000449 0.627914 0.061728 Ca\n0.500449 0.372086 0.938272 Ca\n0.199195 0.373913 0.565549 Ca\n0.699195 0.626087 0.434451 Ca\n0.500482 0.876077 0.939999 Ca\n0.000482 0.123923 0.060001 Ca\n0.310862 0.123103 0.236486 Ti\n0.810862 0.876897 0.763514 Ti\n0.495160 0.408707 0.108578 Si\n0.995160 0.591293 0.891422 Si\n0.199843 0.840463 0.387776 Si\n0.699843 0.159537 0.612224 Si\n0.202202 0.407702 0.391334 Si\n0.702202 0.592298 0.608666 Si\n0.495823 0.840766 0.110361 Si\n0.995823 0.159234 0.889639 Si\n0.488200 0.935784 0.188816 O\n0.988200 0.064216 0.811184 O\n0.739076 0.881806 0.067957 O\n0.239076 0.118194 0.932043 O\n0.737547 0.369106 0.065389 O\n0.237547 0.630894 0.934611 O\n0.485452 0.310182 0.186276 O\n0.985452 0.689818 0.813724 O\n0.077467 0.860526 0.679531 O\n0.577467 0.139474 0.320469 O\n0.222213 0.937039 0.309538 O\n0.722213 0.062961 0.690462 O\n0.492598 0.624164 0.130280 O\n0.992598 0.375836 0.869720 O\n0.242760 0.308772 0.313290 O\n0.742760 0.691228 0.686710 O\n0.446234 0.641058 0.575793 O\n0.946234 0.358942 0.424207 O\n0.045235 0.127934 0.190760 O\n0.545235 0.872066 0.809240 O\n0.269881 0.370164 0.057275 O\n0.769881 0.629836 0.942725 O\n0.953416 0.885948 0.427979 O\n0.453416 0.114052 0.572021 O\n0.413753 0.377536 0.448182 O\n0.913753 0.622464 0.551818 O\n0.419855 0.875248 0.441100 O\n0.919855 0.124752 0.558900 O\n0.197122 0.622742 0.367720 O\n0.697122 0.377258 0.632280 O\n0.270622 0.881732 0.059774 O\n0.770622 0.118268 0.940226 O\n0.689022 0.626069 0.313816 F\n0.189022 0.373931 0.686184 F\n0.006472 0.621484 0.183541 F\n0.506472 0.378516 0.816459 F\n",
"nsites": 60,
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"elements": [
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],
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"formula_full": "Na6 Ca8 Ti2 Si8 O32 F4",
"formula_reduced": "Na3Ca4TiSi4(O8F)2",
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"energy": -433.7820096,
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},
{
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"structure_string": "Na1 Ca9 Ti9 Nb1 Si10 O50\n1.0\n-5.510761 0.000000 0.000000\n2.261356 7.181033 0.000000\n-0.837918 -3.351884 -24.221954\nNa Ca Ti Nb Si O\n1 9 9 1 10 50\ndirect\n0.218328 0.394812 0.814784 Na\n0.811736 0.983964 0.614152 Ca\n0.409626 0.581157 0.415246 Ca\n0.389423 0.216328 0.984871 Ca\n0.009901 0.181207 0.215715 Ca\n0.980213 0.804296 0.787280 Ca\n0.609497 0.781390 0.016248 Ca\n0.591000 0.419379 0.583267 Ca\n0.190764 0.018751 0.383722 Ca\n0.791013 0.618685 0.184293 Ca\n0.295922 0.792614 0.900456 Ti\n0.908851 0.408614 0.697048 Ti\n0.501573 0.003129 0.497695 Ti\n0.206886 0.706301 0.597744 Ti\n0.100549 0.602058 0.298758 Ti\n0.805138 0.303752 0.398832 Ti\n0.699249 0.200694 0.099829 Ti\n0.403733 0.902443 0.199693 Ti\n0.001224 0.498510 0.000604 Ti\n0.605669 0.108455 0.800761 Nb\n0.894149 0.072760 0.916344 Si\n0.498293 0.677570 0.712269 Si\n0.702074 0.527039 0.888340 Si\n0.097843 0.278092 0.513205 Si\n0.304556 0.122275 0.684535 Si\n0.696970 0.877277 0.313927 Si\n0.902873 0.722620 0.485155 Si\n0.296311 0.476627 0.114729 Si\n0.502162 0.321813 0.286096 Si\n0.101410 0.920963 0.086769 Si\n0.523999 0.649292 0.870664 O\n0.243561 0.673410 0.964794 O\n0.123366 0.245961 0.668384 O\n0.036750 0.289544 0.945283 O\n0.878697 0.062865 0.848335 O\n0.986953 0.611177 0.862554 O\n0.850139 0.281415 0.763421 O\n0.720998 0.844209 0.467624 O\n0.650911 0.890214 0.743323 O\n0.605327 0.992258 0.941391 O\n0.493480 0.680768 0.644804 O\n0.709637 0.523960 0.955702 O\n0.592942 0.205289 0.659656 O\n0.562852 0.308708 0.859758 O\n0.448046 0.876498 0.562388 O\n0.319941 0.443406 0.268734 O\n0.344391 0.919747 0.837497 O\n0.244563 0.493437 0.542277 O\n0.206695 0.603315 0.735898 O\n0.089054 0.276226 0.445559 O\n0.313409 0.114465 0.751808 O\n0.190716 0.806114 0.459764 O\n0.156761 0.908611 0.654038 O\n0.045610 0.476835 0.363712 O\n0.919539 0.043324 0.069634 O\n0.078889 0.954545 0.934109 O\n0.954743 0.521553 0.634529 O\n0.842777 0.092794 0.343122 O\n0.809235 0.194671 0.538347 O\n0.688522 0.875726 0.246289 O\n0.913012 0.724596 0.552759 O\n0.790039 0.405359 0.260741 O\n0.756137 0.506609 0.456328 O\n0.644785 0.076470 0.164568 O\n0.676076 0.552599 0.729381 O\n0.552882 0.122770 0.435873 O\n0.442223 0.692355 0.143842 O\n0.408720 0.793752 0.339159 O\n0.287047 0.474695 0.047099 O\n0.511711 0.323817 0.353736 O\n0.389679 0.004970 0.061642 O\n0.355287 0.105896 0.257171 O\n0.278563 0.155652 0.530986 O\n0.152727 0.721951 0.236715 O\n0.008157 0.393251 0.140045 O\n0.110974 0.922871 0.154464 O\n0.955270 0.705546 0.057709 O\n0.878626 0.755551 0.331602 O\n0.750834 0.322303 0.037839 O\n0.477821 0.355082 0.132579 O\n",
"nsites": 80,
"nelements": 6,
"elements": [
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"O"
],
"chemical_system": "Ca-Na-Nb-O-Si-Ti",
"density": 3.4443494363447567,
"density_atomic": 0.08346075579772197,
"volume": 958.5343343150455,
"volume_molar": 7.215535855672629,
"formula_full": "Na1 Ca9 Ti9 Nb1 Si10 O50",
"formula_reduced": "NaCa9Ti9Nb(SiO5)10",
"formula_anonymous": "ABC9D9E10F50",
"energy": -683.2865398600001,
"energy_per_atom": -8.54108174825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -648.93653986,
"band_gap": 2.8416,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004095,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.117000Z",
"spacegroup": 1
},
{
"id": "mp-705502",
"created_at": "2022-09-04T14:47:27.263977Z",
"structure_string": "Na1 Ca9 Ta1 Ti9 Si10 O50\n1.0\n-5.509158 0.000000 0.000000\n2.261397 7.167357 0.000000\n-0.827162 -3.322181 -24.188438\nNa Ca Ta Ti Si O\n1 9 1 9 10 50\ndirect\n0.216844 0.393995 0.815022 Na\n0.812466 0.984437 0.614230 Ca\n0.409654 0.581229 0.415590 Ca\n0.387239 0.215429 0.984925 Ca\n0.010436 0.181656 0.215729 Ca\n0.978036 0.802334 0.787723 Ca\n0.610234 0.781555 0.015947 Ca\n0.590416 0.419291 0.583800 Ca\n0.190062 0.018575 0.383974 Ca\n0.790668 0.618904 0.184114 Ca\n0.602223 0.105937 0.800695 Ta\n0.296338 0.791523 0.900831 Ti\n0.202895 0.703735 0.598737 Ti\n0.908966 0.406283 0.698430 Ti\n0.801773 0.301187 0.399504 Ti\n0.500587 0.001382 0.498902 Ti\n0.400328 0.900020 0.200122 Ti\n0.099919 0.600314 0.299681 Ti\n0.997644 0.496092 0.000664 Ti\n0.698937 0.199052 0.100499 Ti\n0.893465 0.073353 0.915782 Si\n0.498129 0.677893 0.712514 Si\n0.703162 0.526762 0.887714 Si\n0.097675 0.278428 0.513386 Si\n0.305916 0.123087 0.684672 Si\n0.696742 0.877454 0.313832 Si\n0.903223 0.722725 0.485455 Si\n0.296165 0.476843 0.114353 Si\n0.502879 0.322156 0.286154 Si\n0.102084 0.921143 0.086547 Si\n0.526803 0.650785 0.870201 O\n0.244716 0.674419 0.964410 O\n0.126353 0.247486 0.668155 O\n0.037507 0.290200 0.944470 O\n0.875397 0.063603 0.847583 O\n0.988679 0.611127 0.862032 O\n0.852153 0.280692 0.762908 O\n0.721915 0.844821 0.467872 O\n0.648768 0.891400 0.743813 O\n0.604618 0.993497 0.941014 O\n0.493712 0.681436 0.645028 O\n0.709741 0.523373 0.955106 O\n0.594468 0.205454 0.659705 O\n0.565280 0.308865 0.858501 O\n0.448018 0.877428 0.562686 O\n0.321314 0.444320 0.268688 O\n0.344347 0.921546 0.837041 O\n0.244832 0.494269 0.542264 O\n0.206890 0.603623 0.736294 O\n0.088677 0.275964 0.445584 O\n0.316881 0.117031 0.752146 O\n0.191377 0.805982 0.460036 O\n0.157201 0.908844 0.654722 O\n0.046345 0.477505 0.363733 O\n0.921346 0.044316 0.069221 O\n0.077041 0.954089 0.933356 O\n0.955482 0.521853 0.634636 O\n0.842983 0.093377 0.342954 O\n0.809089 0.195080 0.538657 O\n0.688156 0.875563 0.246070 O\n0.912610 0.724817 0.553184 O\n0.791100 0.405343 0.260749 O\n0.756883 0.506488 0.456584 O\n0.646066 0.077029 0.164263 O\n0.676795 0.553556 0.729492 O\n0.553116 0.122789 0.435856 O\n0.442341 0.693030 0.143378 O\n0.408448 0.794294 0.339217 O\n0.286605 0.474370 0.046605 O\n0.511675 0.324096 0.353918 O\n0.390714 0.004639 0.061373 O\n0.356405 0.106180 0.257096 O\n0.277949 0.155471 0.531073 O\n0.153022 0.722105 0.236376 O\n0.007930 0.393824 0.139821 O\n0.111080 0.923431 0.154387 O\n0.955810 0.705584 0.057473 O\n0.878122 0.755276 0.331406 O\n0.750756 0.322121 0.037212 O\n0.477374 0.354837 0.132118 O\n",
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"elements": [
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],
"chemical_system": "Ca-Na-O-Si-Ta-Ti",
"density": 3.609776769709418,
"density_atomic": 0.08376023711362657,
"volume": 955.1071338477045,
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"formula_full": "Na1 Ca9 Ta1 Ti9 Si10 O50",
"formula_reduced": "NaCa9TaTi9(SiO5)10",
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"updated_at": "2021-11-28T01:38:07.633000Z",
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}
]
}