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{
"id": "mp-24440",
"created_at": "2022-09-04T14:45:25.858594Z",
"structure_string": "Na12 Sb4 H72 S16 O36\n1.0\n12.014881 0.000000 0.000000\n0.000000 12.014881 0.000000\n0.000000 0.000000 12.014881\nNa Sb H S O\n12 4 72 16 36\ndirect\n0.291991 0.291991 0.291991 Na\n0.950349 0.049651 0.549651 Na\n0.549651 0.950349 0.049651 Na\n0.605147 0.605147 0.605147 Na\n0.894853 0.394853 0.105147 Na\n0.105147 0.894853 0.394853 Na\n0.394853 0.105147 0.894853 Na\n0.708009 0.791991 0.208009 Na\n0.791991 0.208009 0.708009 Na\n0.208009 0.708009 0.791991 Na\n0.450349 0.450349 0.450349 Na\n0.049651 0.549651 0.950349 Na\n0.037687 0.037687 0.037687 Sb\n0.462313 0.962313 0.537687 Sb\n0.537687 0.462313 0.962313 Sb\n0.962313 0.537687 0.462313 Sb\n0.442276 0.695600 0.873663 H\n0.942276 0.804400 0.126337 H\n0.557724 0.195600 0.626337 H\n0.804400 0.126337 0.942276 H\n0.626337 0.557724 0.195600 H\n0.126337 0.942276 0.804400 H\n0.695600 0.873663 0.442276 H\n0.873663 0.442276 0.695600 H\n0.195600 0.626337 0.557724 H\n0.304400 0.373663 0.057724 H\n0.373663 0.057724 0.304400 H\n0.057724 0.304400 0.373663 H\n0.453370 0.779136 0.773982 H\n0.953370 0.720864 0.226018 H\n0.546630 0.279136 0.726018 H\n0.720864 0.226018 0.953370 H\n0.726018 0.546630 0.279136 H\n0.226018 0.953370 0.720864 H\n0.779136 0.773982 0.453370 H\n0.773982 0.453370 0.779136 H\n0.279136 0.726018 0.546630 H\n0.220864 0.273982 0.046630 H\n0.273982 0.046630 0.220864 H\n0.046630 0.220864 0.273982 H\n0.327081 0.239804 0.541715 H\n0.827081 0.260196 0.458285 H\n0.672919 0.739804 0.958285 H\n0.260196 0.458285 0.827081 H\n0.958285 0.672919 0.739804 H\n0.458285 0.827081 0.260196 H\n0.239804 0.541715 0.327081 H\n0.541715 0.327081 0.239804 H\n0.739804 0.958285 0.672919 H\n0.760196 0.041715 0.172919 H\n0.200109 0.082464 0.520800 H\n0.041715 0.172919 0.760196 H\n0.244609 0.340114 0.522187 H\n0.744609 0.159886 0.477813 H\n0.755391 0.840114 0.977813 H\n0.159886 0.477813 0.744609 H\n0.977813 0.755391 0.840114 H\n0.477813 0.744609 0.159886 H\n0.340114 0.522187 0.244609 H\n0.522187 0.244609 0.340114 H\n0.840114 0.977813 0.755391 H\n0.659886 0.022187 0.255391 H\n0.022187 0.255391 0.659886 H\n0.255391 0.659886 0.022187 H\n0.577039 0.631556 0.359713 H\n0.077039 0.868444 0.640287 H\n0.422961 0.131556 0.140287 H\n0.868444 0.640287 0.077039 H\n0.140287 0.422961 0.131556 H\n0.640287 0.077039 0.868444 H\n0.631556 0.359713 0.577039 H\n0.359713 0.577039 0.631556 H\n0.131556 0.140287 0.422961 H\n0.368444 0.859713 0.922961 H\n0.859713 0.922961 0.368444 H\n0.922961 0.368444 0.859713 H\n0.479200 0.700109 0.417536 H\n0.979200 0.799891 0.582464 H\n0.520800 0.200109 0.082464 H\n0.799891 0.582464 0.979200 H\n0.082464 0.520800 0.200109 H\n0.582464 0.979200 0.799891 H\n0.700109 0.417536 0.479200 H\n0.417536 0.479200 0.700109 H\n0.020800 0.299891 0.917536 H\n0.917536 0.020800 0.299891 H\n0.299891 0.917536 0.020800 H\n0.172919 0.760196 0.041715 H\n0.076121 0.423879 0.576121 S\n0.146145 0.153904 0.921210 S\n0.576121 0.076121 0.423879 S\n0.923879 0.923879 0.923879 S\n0.921210 0.146145 0.153904 S\n0.153904 0.921210 0.146145 S\n0.346096 0.078790 0.646145 S\n0.421210 0.353855 0.846096 S\n0.846096 0.421210 0.353855 S\n0.578790 0.853855 0.653904 S\n0.078790 0.646145 0.346096 S\n0.653904 0.578790 0.853855 S\n0.646145 0.346096 0.078790 S\n0.853855 0.653904 0.578790 S\n0.423879 0.576121 0.076121 S\n0.353855 0.846096 0.421210 S\n0.400051 0.750360 0.830373 O\n0.900051 0.749640 0.169627 O\n0.599949 0.250360 0.669627 O\n0.749640 0.169627 0.900051 O\n0.669627 0.599949 0.250360 O\n0.169627 0.900051 0.749640 O\n0.750360 0.830373 0.400051 O\n0.830373 0.400051 0.750360 O\n0.250360 0.669627 0.599949 O\n0.249640 0.330373 0.099949 O\n0.330373 0.099949 0.249640 O\n0.099949 0.249640 0.330373 O\n0.313413 0.305357 0.493782 O\n0.813413 0.194643 0.506218 O\n0.686587 0.805357 0.006218 O\n0.194643 0.506218 0.813413 O\n0.006218 0.686587 0.805357 O\n0.506218 0.813413 0.194643 O\n0.305357 0.493782 0.313413 O\n0.493782 0.313413 0.305357 O\n0.805357 0.006218 0.686587 O\n0.694643 0.993782 0.186587 O\n0.993782 0.186587 0.694643 O\n0.186587 0.694643 0.993782 O\n0.527724 0.634387 0.425950 O\n0.027724 0.865613 0.574050 O\n0.472276 0.134387 0.074050 O\n0.865613 0.574050 0.027724 O\n0.074050 0.472276 0.134387 O\n0.574050 0.027724 0.865613 O\n0.634387 0.425950 0.527724 O\n0.425950 0.527724 0.634387 O\n0.134387 0.074050 0.472276 O\n0.365613 0.925950 0.972276 O\n0.925950 0.972276 0.365613 O\n0.972276 0.365613 0.925950 O\n",
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"density_atomic": 0.08071785537774975,
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"volume_molar": 7.460729391058661,
"formula_full": "Na12 Sb4 H72 S16 O36",
"formula_reduced": "Na3SbH18S4O9",
"formula_anonymous": "AB3C4D9E18",
"energy": -691.12312936,
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"updated_at": "2021-11-28T01:36:54.666000Z",
"spacegroup": 198
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{
"id": "mp-774631",
"created_at": "2022-09-04T14:45:26.102517Z",
"structure_string": "Li8 Ti4 V12 O32\n1.0\n8.356350 0.001222 0.002827\n0.001238 8.351248 -0.000870\n0.002842 -0.000865 8.358600\nLi Ti V O\n8 4 12 32\ndirect\n0.999110 0.000346 0.000879 Li\n0.245867 0.248739 0.247121 Li\n0.254133 0.751491 0.747128 Li\n0.500942 0.999460 0.500900 Li\n0.499028 0.499607 0.999401 Li\n0.745924 0.251448 0.752770 Li\n0.753942 0.748686 0.252750 Li\n0.001050 0.500355 0.499280 Li\n0.128953 0.870445 0.371113 Ti\n0.370952 0.129473 0.870967 Ti\n0.629078 0.629482 0.628978 Ti\n0.871006 0.370502 0.129014 Ti\n0.117665 0.125253 0.621041 V\n0.120332 0.381700 0.873769 V\n0.125564 0.620763 0.116803 V\n0.374511 0.379279 0.616934 V\n0.379748 0.618378 0.373679 V\n0.382367 0.874681 0.121058 V\n0.617599 0.374733 0.378919 V\n0.620152 0.118247 0.126279 V\n0.625621 0.879259 0.883137 V\n0.874312 0.120658 0.383111 V\n0.879773 0.881685 0.626273 V\n0.882324 0.625357 0.878940 V\n0.112717 0.112271 0.385527 O\n0.115102 0.886788 0.612784 O\n0.119526 0.619066 0.880187 O\n0.136249 0.138924 0.863109 O\n0.111974 0.385275 0.111645 O\n0.136934 0.363216 0.636470 O\n0.137364 0.636429 0.359688 O\n0.139391 0.862868 0.136352 O\n0.360718 0.137104 0.636394 O\n0.362641 0.363516 0.859734 O\n0.363134 0.636724 0.136429 O\n0.388073 0.614808 0.611709 O\n0.363769 0.861063 0.363043 O\n0.380587 0.380965 0.380204 O\n0.384812 0.113229 0.112835 O\n0.387261 0.887650 0.885517 O\n0.612831 0.387681 0.614409 O\n0.615176 0.613144 0.387124 O\n0.619276 0.880929 0.119803 O\n0.636151 0.361082 0.137008 O\n0.612096 0.114733 0.888289 O\n0.636696 0.136876 0.363526 O\n0.637574 0.863650 0.640279 O\n0.639245 0.637250 0.863549 O\n0.860672 0.362807 0.363600 O\n0.862391 0.136386 0.140185 O\n0.863176 0.863196 0.863631 O\n0.887941 0.885251 0.388324 O\n0.863841 0.638965 0.636945 O\n0.880614 0.119049 0.619893 O\n0.884959 0.386878 0.887197 O\n0.887154 0.612340 0.114509 O\n",
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"elements": [
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],
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"formula_full": "Li8 Ti4 V12 O32",
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},
{
"id": "mp-1191636",
"created_at": "2022-09-04T14:45:27.099421Z",
"structure_string": "Cs4 Cd4 B4 O12\n1.0\n7.641782 0.000000 0.000000\n0.000000 7.641782 0.000000\n0.000000 0.000000 7.641782\nCs Cd B O\n4 4 4 12\ndirect\n0.639240 0.139240 0.360760 Cs\n0.139240 0.360760 0.639240 Cs\n0.360760 0.639240 0.139240 Cs\n0.860760 0.860760 0.860760 Cs\n0.645294 0.354706 0.854706 Cd\n0.145294 0.145294 0.145294 Cd\n0.854706 0.645294 0.354706 Cd\n0.354706 0.854706 0.645294 Cd\n0.598793 0.598793 0.598793 B\n0.401207 0.098793 0.901207 B\n0.098793 0.901207 0.401207 B\n0.901207 0.401207 0.098793 B\n0.523044 0.088821 0.765798 O\n0.234202 0.023044 0.411179 O\n0.588821 0.734202 0.476956 O\n0.023044 0.411179 0.234202 O\n0.734202 0.476956 0.588821 O\n0.088821 0.765798 0.523044 O\n0.476956 0.588821 0.734202 O\n0.765798 0.523044 0.088821 O\n0.411179 0.234202 0.023044 O\n0.976956 0.911179 0.265798 O\n0.265798 0.976956 0.911179 O\n0.911179 0.265798 0.976956 O\n",
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"formula_full": "Cs4 Cd4 B4 O12",
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{
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"structure_string": "Sr8 Zr8 O24\n1.0\n8.396673 0.000000 0.000000\n0.000000 8.396673 0.000000\n0.000000 0.000000 8.396673\nSr Zr O\n8 8 24\ndirect\n0.754704 0.745296 0.254704 Sr\n0.230995 0.769005 0.269005 Sr\n0.269005 0.230995 0.769005 Sr\n0.745296 0.254704 0.754704 Sr\n0.769005 0.269005 0.230995 Sr\n0.730995 0.730995 0.730995 Sr\n0.245296 0.245296 0.245296 Sr\n0.254704 0.754704 0.745296 Sr\n0.496553 0.996553 0.503447 Zr\n0.996553 0.503447 0.496553 Zr\n0.003447 0.003447 0.003447 Zr\n0.006324 0.506324 0.993676 Zr\n0.503447 0.496553 0.996553 Zr\n0.993676 0.006324 0.506324 Zr\n0.493676 0.493676 0.493676 Zr\n0.506324 0.993676 0.006324 Zr\n0.489337 0.743799 0.512494 O\n0.512494 0.489337 0.743799 O\n0.979245 0.255938 0.490558 O\n0.244062 0.509442 0.479245 O\n0.755938 0.009442 0.020755 O\n0.744062 0.990558 0.520755 O\n0.743799 0.512494 0.489337 O\n0.256201 0.012494 0.010663 O\n0.509442 0.479245 0.244062 O\n0.989337 0.756201 0.487506 O\n0.990558 0.520755 0.744062 O\n0.479245 0.244062 0.509442 O\n0.010663 0.256201 0.012494 O\n0.487506 0.989337 0.756201 O\n0.490558 0.979245 0.255938 O\n0.020755 0.755938 0.009442 O\n0.520755 0.744062 0.990558 O\n0.009442 0.020755 0.755938 O\n0.243799 0.987506 0.510663 O\n0.012494 0.010663 0.256201 O\n0.255938 0.490558 0.979245 O\n0.987506 0.510663 0.243799 O\n0.510663 0.243799 0.987506 O\n0.756201 0.487506 0.989337 O\n",
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"formula_full": "Sr8 Zr8 O24",
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{
"id": "mp-1103210",
"created_at": "2022-09-04T14:45:29.143894Z",
"structure_string": "Eu4 Mg4 Ni4\n1.0\n6.803490 0.000000 0.000000\n0.000000 6.803490 0.000000\n0.000000 0.000000 6.803490\nEu Mg Ni\n4 4 4\ndirect\n0.179408 0.679408 0.820592 Eu\n0.679408 0.820592 0.179408 Eu\n0.820592 0.179408 0.679408 Eu\n0.320592 0.320592 0.320592 Eu\n0.845731 0.345731 0.154269 Mg\n0.345731 0.154269 0.845731 Mg\n0.154269 0.845731 0.345731 Mg\n0.654269 0.654269 0.654269 Mg\n0.454649 0.954649 0.545351 Ni\n0.954649 0.545351 0.454649 Ni\n0.545351 0.454649 0.954649 Ni\n0.045351 0.045351 0.045351 Ni\n",
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"formula_full": "Eu4 Mg4 Ni4",
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{
"id": "mp-1210504",
"created_at": "2022-09-04T14:45:31.659889Z",
"structure_string": "Na12 Mn4 O16\n1.0\n7.894564 0.000000 0.000000\n0.000000 7.894564 0.000000\n0.000000 0.000000 7.894564\nNa Mn O\n12 4 16\ndirect\n0.006015 0.006015 0.006015 Na\n0.493985 0.993985 0.506015 Na\n0.993985 0.506015 0.493985 Na\n0.506015 0.493985 0.993985 Na\n0.216163 0.216163 0.216163 Na\n0.283837 0.783837 0.716163 Na\n0.783837 0.716163 0.283837 Na\n0.716163 0.283837 0.783837 Na\n0.742611 0.742611 0.742611 Na\n0.757389 0.257389 0.242611 Na\n0.257389 0.242611 0.757389 Na\n0.242611 0.757389 0.257389 Na\n0.498275 0.498275 0.498275 Mn\n0.001725 0.501725 0.998275 Mn\n0.501725 0.998275 0.001725 Mn\n0.998275 0.001725 0.501725 Mn\n0.374550 0.374550 0.374550 O\n0.125450 0.625450 0.874550 O\n0.625450 0.874550 0.125450 O\n0.874550 0.125450 0.625450 O\n0.973570 0.059596 0.292105 O\n0.526430 0.940404 0.792105 O\n0.026430 0.559596 0.207895 O\n0.292105 0.973570 0.059596 O\n0.473570 0.440404 0.707895 O\n0.792105 0.526430 0.940404 O\n0.207895 0.026430 0.559596 O\n0.707895 0.473570 0.440404 O\n0.059596 0.292105 0.973570 O\n0.559596 0.207895 0.026430 O\n0.440404 0.707895 0.473570 O\n0.940404 0.792105 0.526430 O\n",
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"formula_full": "Na12 Mn4 O16",
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},
{
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"structure_string": "Rb8 Mn8 Be12 F48\n1.0\n10.424288 0.000000 0.000000\n0.000000 10.424288 0.000000\n0.000000 0.000000 10.424288\nRb Mn Be F\n8 8 12 48\ndirect\n0.048794 0.048794 0.048794 Rb\n0.451206 0.951206 0.548794 Rb\n0.951206 0.548794 0.451206 Rb\n0.548794 0.451206 0.951206 Rb\n0.816015 0.816015 0.816015 Rb\n0.683985 0.183985 0.316015 Rb\n0.183985 0.316015 0.683985 Rb\n0.316015 0.683985 0.183985 Rb\n0.334458 0.334458 0.334458 Mn\n0.165542 0.665542 0.834458 Mn\n0.665542 0.834458 0.165542 Mn\n0.834458 0.165542 0.665542 Mn\n0.597721 0.597721 0.597721 Mn\n0.902279 0.402279 0.097721 Mn\n0.402279 0.097721 0.902279 Mn\n0.097721 0.902279 0.402279 Mn\n0.019039 0.215321 0.375703 Be\n0.480961 0.784679 0.875703 Be\n0.980961 0.715321 0.124297 Be\n0.375703 0.019039 0.215321 Be\n0.519039 0.284679 0.624297 Be\n0.875703 0.480961 0.784679 Be\n0.124297 0.980961 0.715321 Be\n0.624297 0.519039 0.284679 Be\n0.215321 0.375703 0.019039 Be\n0.715321 0.124297 0.980961 Be\n0.284679 0.624297 0.519039 Be\n0.784679 0.875703 0.480961 Be\n0.011222 0.072914 0.329199 F\n0.488778 0.927086 0.829199 F\n0.988778 0.572914 0.170801 F\n0.329199 0.011222 0.072914 F\n0.511222 0.427086 0.670801 F\n0.829199 0.488778 0.927086 F\n0.170801 0.988778 0.572914 F\n0.670801 0.511222 0.427086 F\n0.072914 0.329199 0.011222 F\n0.572914 0.170801 0.988778 F\n0.427086 0.670801 0.511222 F\n0.927086 0.829199 0.488778 F\n0.265662 0.498174 0.439294 F\n0.234338 0.501826 0.939294 F\n0.734338 0.998174 0.060706 F\n0.439294 0.265662 0.498174 F\n0.765662 0.001826 0.560706 F\n0.939294 0.234338 0.501826 F\n0.060706 0.734338 0.998174 F\n0.560706 0.765662 0.001826 F\n0.498174 0.439294 0.265662 F\n0.998174 0.060706 0.734338 F\n0.001826 0.560706 0.765662 F\n0.501826 0.939294 0.234338 F\n0.044472 0.804829 0.227665 F\n0.455528 0.195171 0.727665 F\n0.955528 0.304829 0.272335 F\n0.227665 0.044472 0.804829 F\n0.544472 0.695171 0.772335 F\n0.727665 0.455528 0.195171 F\n0.272335 0.955528 0.304829 F\n0.772335 0.544472 0.695171 F\n0.804829 0.227665 0.044472 F\n0.304829 0.272335 0.955528 F\n0.695171 0.772335 0.544472 F\n0.195171 0.727665 0.455528 F\n0.159944 0.255247 0.402635 F\n0.340056 0.744753 0.902635 F\n0.840056 0.755247 0.097365 F\n0.402635 0.159944 0.255247 F\n0.659944 0.244753 0.597365 F\n0.902635 0.340056 0.744753 F\n0.097365 0.840056 0.755247 F\n0.597365 0.659944 0.244753 F\n0.255247 0.402635 0.159944 F\n0.755247 0.097365 0.840056 F\n0.244753 0.597365 0.659944 F\n0.744753 0.902635 0.340056 F\n",
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]
}