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{
"id": "mp-768845",
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"structure_string": "Rb4 Fe4 O8\n1.0\n-2.950863 0.000019 4.326741\n0.000056 10.021181 0.000082\n-4.912389 -0.000063 -4.446244\nRb Fe O\n4 4 8\ndirect\n0.749999 0.347269 0.000000 Rb\n0.249999 0.847254 0.500001 Rb\n0.250000 0.652722 0.000000 Rb\n0.749999 0.152724 0.500001 Rb\n0.250029 0.485126 0.500003 Fe\n0.249995 0.014842 0.000000 Fe\n0.750007 0.985145 0.999999 Fe\n0.749974 0.514912 0.499994 Fe\n0.991515 0.594383 0.344986 O\n0.491502 0.094379 0.845019 O\n0.491512 0.405629 0.345044 O\n0.991504 0.905616 0.845015 O\n0.508492 0.594381 0.655009 O\n0.008497 0.094376 0.154979 O\n0.008477 0.405626 0.654964 O\n0.508498 0.905615 0.154987 O\n",
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{
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"structure_string": "Sr1 Ca1 Ce1 Ti1 O6\n1.0\n0.000000 -4.162594 -4.162594\n4.162594 -0.000000 -4.162594\n4.162594 -4.162594 -0.000000\nSr Ca Ce Ti O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 -0.000000 Ce\n0.500000 0.500000 0.500000 Ti\n0.735682 0.264318 0.264318 O\n0.264318 0.735682 0.735682 O\n0.735682 0.264318 0.735682 O\n0.264318 0.735682 0.264318 O\n0.735682 0.735682 0.264318 O\n0.264318 0.264318 0.735682 O\n",
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},
{
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"created_at": "2022-09-04T14:39:23.042672Z",
"structure_string": "Al4 O6\n1.0\n1.336959 -4.477065 0.000000\n1.336959 4.477065 0.000000\n0.000000 0.000000 7.045032\nAl O\n4 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.246019 0.753981 0.250000 Al\n0.753981 0.246019 0.750000 Al\n0.000000 0.000000 0.500000 Al\n0.633200 0.366800 0.419938 O\n0.892661 0.107339 0.250000 O\n0.366800 0.633200 0.580062 O\n0.366800 0.633200 0.919938 O\n0.107339 0.892661 0.750000 O\n0.633200 0.366800 0.080062 O\n",
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"formula_full": "Al4 O6",
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"spacegroup": 63
},
{
"id": "mp-1025933",
"created_at": "2022-09-04T14:39:39.084704Z",
"structure_string": "Te2 Mo2 W1 Se2 S2\n1.0\n1.674834 -2.900897 0.000000\n1.674834 2.900897 0.000000\n0.000000 0.000000 31.037961\nTe Mo W Se S\n2 2 1 2 2\ndirect\n0.666667 0.333333 0.517295 Te\n0.666667 0.333333 0.639466 Te\n0.333333 0.666667 0.115651 Mo\n0.333333 0.666667 0.578401 Mo\n0.666667 0.333333 0.346902 W\n0.333333 0.666667 0.400831 Se\n0.333333 0.666667 0.292990 Se\n0.666667 0.333333 0.066839 S\n0.666667 0.333333 0.164466 S\n",
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"spacegroup": 156
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{
"id": "mp-14977",
"created_at": "2022-09-04T14:39:26.376193Z",
"structure_string": "Na12 Y4 Si24 O60\n1.0\n7.449713 -8.978111 0.000000\n7.449713 8.978111 0.000000\n0.000000 0.000000 10.625743\nNa Y Si O\n12 4 24 60\ndirect\n0.028667 0.471333 0.750000 Na\n0.471333 0.028667 0.250000 Na\n0.971333 0.528667 0.250000 Na\n0.528667 0.971333 0.750000 Na\n0.761105 0.761105 0.000000 Na\n0.738895 0.738895 0.500000 Na\n0.238895 0.238895 0.000000 Na\n0.261105 0.261105 0.500000 Na\n0.072023 0.927977 0.750240 Na\n0.427977 0.572023 0.250240 Na\n0.927977 0.072023 0.249760 Na\n0.572023 0.427977 0.749760 Na\n0.159089 0.340911 0.250000 Y\n0.340911 0.159089 0.750000 Y\n0.840911 0.659089 0.750000 Y\n0.659089 0.840911 0.250000 Y\n0.529336 0.260328 0.019849 Si\n0.970664 0.239672 0.519849 Si\n0.260328 0.529336 0.980151 Si\n0.239672 0.970664 0.480151 Si\n0.470664 0.739672 0.980151 Si\n0.029336 0.760328 0.480151 Si\n0.739672 0.470664 0.019849 Si\n0.760328 0.029336 0.519849 Si\n0.584978 0.205003 0.535199 Si\n0.915022 0.294997 0.035199 Si\n0.205003 0.584978 0.464801 Si\n0.294997 0.915022 0.964801 Si\n0.415022 0.794997 0.464801 Si\n0.084978 0.705003 0.964801 Si\n0.794997 0.415022 0.535199 Si\n0.705003 0.084978 0.035199 Si\n0.472289 0.309915 0.300286 Si\n0.027711 0.190085 0.800286 Si\n0.309915 0.472289 0.699714 Si\n0.190085 0.027711 0.199714 Si\n0.527711 0.690085 0.699714 Si\n0.972289 0.809915 0.199714 Si\n0.690085 0.527711 0.300286 Si\n0.809915 0.972289 0.800286 Si\n0.656634 0.011724 0.157275 O\n0.843366 0.488276 0.657275 O\n0.011724 0.656634 0.842725 O\n0.488276 0.843366 0.342725 O\n0.343366 0.988276 0.842725 O\n0.156634 0.511724 0.342725 O\n0.988276 0.343366 0.157275 O\n0.511724 0.156634 0.657275 O\n0.487226 0.237240 0.168942 O\n0.012774 0.262760 0.668942 O\n0.237240 0.487226 0.831058 O\n0.262760 0.012774 0.331058 O\n0.512774 0.762760 0.831058 O\n0.987226 0.737240 0.331058 O\n0.762760 0.512774 0.168942 O\n0.737240 0.987226 0.668942 O\n0.667168 0.114511 0.486434 O\n0.832832 0.385489 0.986434 O\n0.114511 0.667168 0.513566 O\n0.385489 0.832832 0.013566 O\n0.332832 0.885489 0.513566 O\n0.167168 0.614511 0.013566 O\n0.885489 0.332832 0.486434 O\n0.614511 0.167168 0.986434 O\n0.334494 0.665506 0.432219 O\n0.747614 0.922068 0.424878 O\n0.922068 0.747614 0.575122 O\n0.577932 0.752386 0.075122 O\n0.252386 0.077932 0.575122 O\n0.247614 0.422068 0.075122 O\n0.077932 0.252386 0.424878 O\n0.422068 0.247614 0.924878 O\n0.656664 0.653745 0.318728 O\n0.843336 0.846255 0.818728 O\n0.653745 0.656664 0.681272 O\n0.846255 0.843336 0.181272 O\n0.343336 0.346255 0.681272 O\n0.156664 0.153745 0.181272 O\n0.346255 0.343336 0.318728 O\n0.153745 0.156664 0.818728 O\n0.931707 0.068293 0.798654 O\n0.568293 0.431707 0.298654 O\n0.068293 0.931707 0.201346 O\n0.431707 0.568293 0.701346 O\n0.892881 0.107119 0.505686 O\n0.607119 0.392881 0.005686 O\n0.107119 0.892881 0.494314 O\n0.392881 0.607119 0.994314 O\n0.498220 0.778021 0.587456 O\n0.001780 0.721979 0.087456 O\n0.778021 0.498220 0.412544 O\n0.721979 0.001780 0.912544 O\n0.501780 0.221979 0.412544 O\n0.998220 0.278021 0.912544 O\n0.221979 0.501780 0.587456 O\n0.278021 0.998220 0.087456 O\n0.834494 0.165506 0.067781 O\n0.665506 0.334494 0.567781 O\n0.165506 0.834494 0.932219 O\n0.752386 0.577932 0.924878 O\n",
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],
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"density": 2.6466867095919056,
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"volume": 1421.391832577484,
"volume_molar": 8.559821690895962,
"formula_full": "Na12 Y4 Si24 O60",
"formula_reduced": "Na3Y(Si2O5)3",
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"energy": -785.0885627600001,
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"spacegroup": 64
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{
"id": "mp-551092",
"created_at": "2022-09-04T14:39:19.397136Z",
"structure_string": "K2 Li2 Zn2 O4\n1.0\n1.693534 5.482382 0.000000\n-1.693534 5.482382 0.000000\n0.000000 4.176528 7.213087\nK Li Zn O\n2 2 2 4\ndirect\n0.836515 0.836515 0.629932 K\n0.163485 0.163485 0.370068 K\n0.341120 0.341120 0.945007 Li\n0.658880 0.658880 0.054993 Li\n0.044117 0.044117 0.817541 Zn\n0.955883 0.955883 0.182459 Zn\n0.461437 0.461437 0.306645 O\n0.538563 0.538563 0.693355 O\n0.837993 0.837993 0.062149 O\n0.162007 0.162007 0.937851 O\n",
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{
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"structure_string": "Mn4 H4 O8\n1.0\n4.498826 0.000002 0.000253\n0.000002 5.393471 0.000002\n0.000328 0.000002 5.845362\nMn H O\n4 4 8\ndirect\n0.476506 0.513588 0.751520 Mn\n0.023494 0.013591 0.498480 Mn\n0.476751 0.513667 0.251270 Mn\n0.023249 0.013666 0.998725 Mn\n0.558800 0.024647 0.248882 H\n0.558810 0.024643 0.748864 H\n0.941200 0.524648 0.001119 H\n0.941190 0.524643 0.501137 H\n0.754757 0.127883 0.248966 O\n0.754751 0.127887 0.748929 O\n0.745242 0.627883 0.001034 O\n0.745249 0.627887 0.501071 O\n0.263555 0.887724 0.248519 O\n0.263564 0.887720 0.748560 O\n0.236445 0.387724 0.001481 O\n0.236436 0.387720 0.501440 O\n",
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{
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"structure_string": "Ba8 Sm4 Bi4 O24\n1.0\n8.810118 -0.000000 0.000000\n0.000000 8.810118 0.000000\n0.000000 0.000000 8.810118\nBa Sm Bi O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Sm\n0.250000 0.750000 0.750000 Sm\n0.750000 0.250000 0.750000 Sm\n0.750000 0.750000 0.250000 Sm\n0.750000 0.750000 0.750000 Bi\n0.750000 0.250000 0.250000 Bi\n0.250000 0.750000 0.250000 Bi\n0.250000 0.250000 0.750000 Bi\n0.228213 0.273415 0.508949 O\n0.228213 0.726585 0.491051 O\n0.771787 0.273415 0.491051 O\n0.771787 0.726585 0.508949 O\n0.273415 0.508949 0.228213 O\n0.726585 0.491051 0.228213 O\n0.273415 0.491051 0.771787 O\n0.726585 0.508949 0.771787 O\n0.508949 0.228213 0.273415 O\n0.491051 0.228213 0.726585 O\n0.491051 0.771787 0.273415 O\n0.508949 0.771787 0.726585 O\n0.271787 0.226585 0.991051 O\n0.271787 0.773415 0.008949 O\n0.728213 0.226585 0.008949 O\n0.728213 0.773415 0.991051 O\n0.226585 0.991051 0.271787 O\n0.773415 0.008949 0.271787 O\n0.226585 0.008949 0.728213 O\n0.773415 0.991051 0.728213 O\n0.991051 0.271787 0.226585 O\n0.008949 0.271787 0.773415 O\n0.008949 0.728213 0.226585 O\n0.991051 0.728213 0.773415 O\n",
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{
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