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{
"id": "mp-976447",
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{
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"spacegroup": 73
},
{
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"structure_string": "Al2 Tl4 F10\n1.0\n4.290830 -4.801765 0.000000\n4.290830 4.801765 0.000000\n0.000000 0.000000 7.517869\nAl Tl F\n2 4 10\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.523130 0.934785 0.250000 Tl\n0.476870 0.065215 0.750000 Tl\n0.934785 0.523130 0.750000 Tl\n0.065215 0.476870 0.250000 Tl\n0.211591 0.211591 0.500000 F\n0.788409 0.788409 0.000000 F\n0.788409 0.788409 0.500000 F\n0.211591 0.211591 0.000000 F\n0.030676 0.969324 0.250000 F\n0.969324 0.030676 0.750000 F\n0.186866 0.813134 0.537911 F\n0.813134 0.186866 0.037911 F\n0.813134 0.186866 0.462089 F\n0.186866 0.813134 0.962089 F\n",
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"formula_full": "Al2 Tl4 F10",
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},
{
"id": "mp-767566",
"created_at": "2022-09-04T14:39:09.278735Z",
"structure_string": "Na4 Tm2 P2 C2 O14\n1.0\n6.936226 0.000000 0.000000\n0.000000 5.332835 0.000000\n0.000000 0.171493 9.191700\nNa Tm P C O\n4 2 2 2 14\ndirect\n0.495649 0.234149 0.776254 Na\n0.004351 0.234149 0.776254 Na\n0.504351 0.765851 0.223746 Na\n0.995649 0.765851 0.223746 Na\n0.750000 0.772996 0.641315 Tm\n0.250000 0.227004 0.358685 Tm\n0.250000 0.709132 0.581103 P\n0.750000 0.290868 0.418897 P\n0.750000 0.731190 0.932810 C\n0.250000 0.268810 0.067190 C\n0.250000 0.292242 0.931332 O\n0.750000 0.950987 0.864205 O\n0.750000 0.535084 0.844464 O\n0.066641 0.796868 0.660197 O\n0.433359 0.796868 0.660197 O\n0.750000 0.182040 0.579312 O\n0.250000 0.416420 0.571793 O\n0.750000 0.583580 0.428207 O\n0.250000 0.817960 0.420688 O\n0.566641 0.203132 0.339803 O\n0.933359 0.203132 0.339803 O\n0.250000 0.464916 0.155536 O\n0.250000 0.049013 0.135795 O\n0.750000 0.707758 0.068668 O\n",
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},
{
"id": "mp-756299",
"created_at": "2022-09-04T14:42:04.966988Z",
"structure_string": "Li8 Hf2 O8\n1.0\n3.747283 -4.122225 0.000000\n3.747283 4.122225 0.000000\n0.000000 0.000000 6.396346\nLi Hf O\n8 2 8\ndirect\n0.843478 0.156522 0.500000 Li\n0.843478 0.156522 0.000000 Li\n0.879924 0.597137 0.250000 Li\n0.402863 0.120076 0.750000 Li\n0.597137 0.879924 0.250000 Li\n0.120076 0.402863 0.750000 Li\n0.156522 0.843478 0.000000 Li\n0.156522 0.843478 0.500000 Li\n0.345550 0.345550 0.250000 Hf\n0.654450 0.654450 0.750000 Hf\n0.685584 0.273981 0.250000 O\n0.726019 0.314416 0.750000 O\n0.202175 0.202175 0.508083 O\n0.202175 0.202175 0.991917 O\n0.797825 0.797825 0.491917 O\n0.797825 0.797825 0.008083 O\n0.314416 0.726019 0.750000 O\n0.273981 0.685584 0.250000 O\n",
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"formula_full": "Li8 Hf2 O8",
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{
"id": "mp-686748",
"created_at": "2022-09-04T14:47:27.038245Z",
"structure_string": "Ca8 Al8 Si4 H8 O32\n1.0\n4.469895 -6.297930 0.000000\n4.469895 6.297930 0.000000\n0.000000 0.000000 12.586729\nCa Al Si H O\n8 8 4 8 32\ndirect\n0.861048 0.856412 0.856953 Ca\n0.284205 0.998473 0.000619 Ca\n0.361048 0.356412 0.643047 Ca\n0.856412 0.861048 0.143047 Ca\n0.498473 0.784205 0.500619 Ca\n0.784205 0.498473 0.499381 Ca\n0.998473 0.284205 0.999381 Ca\n0.356412 0.361048 0.356953 Ca\n0.999786 0.500416 0.752648 Al\n0.624397 0.375197 0.878982 Al\n0.875197 0.124397 0.378982 Al\n0.500416 0.999786 0.247352 Al\n0.499786 0.000416 0.747352 Al\n0.124397 0.875197 0.621018 Al\n0.375197 0.624397 0.121018 Al\n0.000416 0.499786 0.252648 Al\n0.376378 0.624472 0.872246 Si\n0.876378 0.124472 0.627754 Si\n0.124472 0.876378 0.372246 Si\n0.624472 0.376378 0.127754 Si\n0.690530 0.674359 0.673839 H\n0.190530 0.174359 0.826161 H\n0.491243 0.143324 0.506990 H\n0.674359 0.690530 0.326161 H\n0.991243 0.643324 0.993010 H\n0.143324 0.491243 0.493010 H\n0.174359 0.190530 0.173839 H\n0.643324 0.991243 0.006990 H\n0.419100 0.846822 0.857210 O\n0.229820 0.507038 0.781617 O\n0.612998 0.614101 0.614980 O\n0.919100 0.346822 0.642790 O\n0.571881 0.583108 0.861573 O\n0.926313 0.363196 0.366661 O\n0.784902 0.060459 0.509765 O\n0.346822 0.919100 0.357210 O\n0.863196 0.426313 0.866661 O\n0.501112 0.270948 0.498117 O\n0.716474 0.991473 0.286079 O\n0.729820 0.007038 0.718383 O\n0.112998 0.114101 0.885020 O\n0.114101 0.112998 0.114980 O\n0.491473 0.216474 0.786079 O\n0.071881 0.083108 0.638427 O\n0.083108 0.071881 0.361573 O\n0.426313 0.863196 0.133339 O\n0.363196 0.926313 0.633339 O\n0.284902 0.560459 0.990235 O\n0.001112 0.770948 0.001883 O\n0.060459 0.784902 0.490235 O\n0.216474 0.491473 0.213921 O\n0.614101 0.612998 0.385020 O\n0.007038 0.729820 0.281617 O\n0.991473 0.716474 0.713921 O\n0.583108 0.571881 0.138427 O\n0.846822 0.419100 0.142790 O\n0.560459 0.284902 0.009765 O\n0.270948 0.501112 0.501883 O\n0.507038 0.229820 0.218383 O\n0.770948 0.001112 0.998117 O\n",
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"formula_full": "Ca8 Al8 Si4 H8 O32",
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"spacegroup": 41
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{
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"created_at": "2022-09-04T14:45:36.219322Z",
"structure_string": "Ga8 W12 O48\n1.0\n9.394285 0.000000 0.000000\n0.000000 9.472235 0.000000\n0.000000 0.000000 13.053583\nGa W O\n8 12 48\ndirect\n0.249390 0.036956 0.621822 Ga\n0.749390 0.036956 0.878178 Ga\n0.749390 0.463044 0.121822 Ga\n0.249390 0.463044 0.378178 Ga\n0.250610 0.536956 0.878178 Ga\n0.750610 0.536956 0.621822 Ga\n0.250610 0.963044 0.121822 Ga\n0.750610 0.963044 0.378178 Ga\n0.396965 0.113914 0.355631 W\n0.896965 0.113914 0.144369 W\n0.469648 0.250000 0.000000 W\n0.969648 0.250000 0.500000 W\n0.396965 0.386086 0.644369 W\n0.896965 0.386086 0.855631 W\n0.103035 0.613914 0.144369 W\n0.603035 0.613914 0.355631 W\n0.530352 0.750000 0.000000 W\n0.030352 0.750000 0.500000 W\n0.103035 0.886086 0.855631 W\n0.603035 0.886086 0.644369 W\n0.181619 0.001777 0.760898 O\n0.681619 0.001777 0.739102 O\n0.825628 0.071467 0.019822 O\n0.325628 0.071467 0.480178 O\n0.088327 0.091080 0.145329 O\n0.588327 0.091080 0.354671 O\n0.360247 0.124503 0.068301 O\n0.860247 0.124503 0.431699 O\n0.582366 0.160138 0.908411 O\n0.082366 0.160138 0.591589 O\n0.857929 0.202421 0.828435 O\n0.357929 0.202421 0.671565 O\n0.857929 0.297579 0.171565 O\n0.357929 0.297579 0.328435 O\n0.582366 0.339862 0.091589 O\n0.082366 0.339862 0.408411 O\n0.860247 0.375497 0.568301 O\n0.360247 0.375497 0.931699 O\n0.588327 0.408920 0.645329 O\n0.088327 0.408920 0.854671 O\n0.325628 0.428533 0.519822 O\n0.825628 0.428533 0.980178 O\n0.681619 0.498223 0.260898 O\n0.181619 0.498223 0.239102 O\n0.318381 0.501777 0.739102 O\n0.818381 0.501777 0.760898 O\n0.174372 0.571467 0.019822 O\n0.674372 0.571467 0.480178 O\n0.411673 0.591080 0.354671 O\n0.911673 0.591080 0.145329 O\n0.639753 0.624503 0.068301 O\n0.139753 0.624503 0.431699 O\n0.417634 0.660138 0.908411 O\n0.917634 0.660138 0.591589 O\n0.642071 0.702421 0.671565 O\n0.142071 0.702421 0.828435 O\n0.142071 0.797579 0.171565 O\n0.642071 0.797579 0.328435 O\n0.917634 0.839862 0.408411 O\n0.417634 0.839862 0.091589 O\n0.639753 0.875497 0.931699 O\n0.139753 0.875497 0.568301 O\n0.911673 0.908920 0.854671 O\n0.411673 0.908920 0.645329 O\n0.174372 0.928533 0.980178 O\n0.674372 0.928533 0.519822 O\n0.818381 0.998223 0.239102 O\n0.318381 0.998223 0.260898 O\n",
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{
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"structure_string": "Rb2 Na1 Al1 Cl6\n1.0\n0.000000 5.138222 5.138222\n5.138222 0.000000 5.138222\n5.138222 5.138222 0.000000\nRb Na Al Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Al\n0.771186 0.228814 0.228814 Cl\n0.228814 0.228814 0.771186 Cl\n0.228814 0.771186 0.771186 Cl\n0.228814 0.771186 0.228814 Cl\n0.771186 0.228814 0.771186 Cl\n0.771186 0.771186 0.228814 Cl\n",
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