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{
"id": "mp-758407",
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"structure_string": "Li12 Mn8 C8 O40\n1.0\n9.630190 0.000000 0.000000\n0.000000 11.703868 0.000000\n0.000000 0.000000 5.793661\nLi Mn C O\n12 8 8 40\ndirect\n0.996832 0.001877 0.750000 Li\n0.001348 0.495555 0.997745 Li\n0.001348 0.495555 0.502255 Li\n0.001671 0.279380 0.250000 Li\n0.498329 0.779380 0.250000 Li\n0.503168 0.501877 0.750000 Li\n0.498652 0.995556 0.997745 Li\n0.498652 0.995556 0.502255 Li\n0.502486 0.219142 0.250000 Li\n0.505679 0.218845 0.750000 Li\n0.997514 0.719142 0.250000 Li\n0.994321 0.718845 0.750000 Li\n0.244641 0.111788 0.999128 Mn\n0.244641 0.111788 0.500872 Mn\n0.255359 0.611788 0.999128 Mn\n0.255359 0.611788 0.500872 Mn\n0.744228 0.388306 0.000398 Mn\n0.744228 0.388306 0.499602 Mn\n0.755772 0.888306 0.000398 Mn\n0.755772 0.888306 0.499602 Mn\n0.239056 0.862272 0.499267 C\n0.239056 0.862272 0.000733 C\n0.260944 0.362272 0.000733 C\n0.260944 0.362272 0.499267 C\n0.742038 0.638904 0.000010 C\n0.742038 0.638904 0.499990 C\n0.757962 0.138904 0.000010 C\n0.757962 0.138904 0.499990 C\n0.128128 0.148782 0.250000 O\n0.124983 0.143444 0.750000 O\n0.130235 0.576911 0.250000 O\n0.129762 0.577683 0.750000 O\n0.130711 0.361885 0.010540 O\n0.130711 0.361885 0.489460 O\n0.163284 0.955211 0.991898 O\n0.163284 0.955211 0.508102 O\n0.164825 0.766926 0.999006 O\n0.164825 0.766926 0.500994 O\n0.335175 0.266926 0.999006 O\n0.335175 0.266926 0.500994 O\n0.336716 0.455211 0.991898 O\n0.336716 0.455211 0.508102 O\n0.369289 0.861885 0.010540 O\n0.369289 0.861885 0.489460 O\n0.369765 0.076911 0.250000 O\n0.370238 0.077683 0.750000 O\n0.371872 0.648782 0.250000 O\n0.375017 0.643444 0.750000 O\n0.627807 0.351630 0.250000 O\n0.621402 0.355910 0.750000 O\n0.629595 0.922740 0.250000 O\n0.635379 0.926099 0.750000 O\n0.625677 0.137675 0.999957 O\n0.625677 0.137675 0.500043 O\n0.666359 0.546254 0.995461 O\n0.666359 0.546254 0.504539 O\n0.670205 0.733393 0.004616 O\n0.670205 0.733393 0.495384 O\n0.829795 0.233393 0.004616 O\n0.829795 0.233393 0.495384 O\n0.833641 0.046254 0.995461 O\n0.833641 0.046254 0.504539 O\n0.874323 0.637675 0.999957 O\n0.874323 0.637675 0.500043 O\n0.870405 0.422740 0.250000 O\n0.864621 0.426099 0.750000 O\n0.872193 0.851630 0.250000 O\n0.878598 0.855910 0.750000 O\n",
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"formula_full": "Li12 Mn8 C8 O40",
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"spacegroup": 26
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{
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"structure_string": "Li1 Eu2 Tl1\n1.0\n0.000000 3.975655 3.975655\n3.975655 0.000000 3.975655\n3.975655 3.975655 0.000000\nLi Eu Tl\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Eu\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 0.000000 Tl\n",
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{
"id": "mp-695389",
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"structure_string": "Ba18 Pr9 Sn4 Sb5 O54\n1.0\n3.079601 5.351019 0.000000\n-3.079601 5.351019 0.000000\n0.000000 0.213111 45.611087\nBa Pr Sn Sb O\n18 9 4 5 54\ndirect\n0.336757 0.336757 0.030204 Ba\n0.668527 0.668527 0.140485 Ba\n0.998427 0.998427 0.249742 Ba\n0.999827 0.999827 0.085404 Ba\n0.333123 0.333123 0.361235 Ba\n0.333156 0.333156 0.192529 Ba\n0.666453 0.666453 0.472455 Ba\n0.666611 0.666611 0.304708 Ba\n0.000077 0.000077 0.583071 Ba\n0.000119 0.000119 0.416283 Ba\n0.333584 0.333584 0.694161 Ba\n0.333147 0.333147 0.527363 Ba\n0.667027 0.667027 0.803946 Ba\n0.666873 0.666873 0.638473 Ba\n0.003191 0.003191 0.917830 Ba\n0.000289 0.000289 0.748208 Ba\n0.335004 0.335004 0.858620 Ba\n0.668162 0.668162 0.974682 Ba\n0.667170 0.667170 0.057833 Pr\n0.666080 0.666080 0.221831 Pr\n0.999950 0.999950 0.333156 Pr\n0.333334 0.333334 0.444367 Pr\n0.666543 0.666543 0.555208 Pr\n0.334125 0.334125 0.776909 Pr\n0.999901 0.999901 0.665242 Pr\n0.668445 0.668445 0.886975 Pr\n0.335823 0.335823 0.947282 Pr\n0.000276 0.000276 0.002813 Sn\n0.001991 0.001991 0.166401 Sn\n0.666475 0.666475 0.720859 Sn\n0.999183 0.999183 0.832204 Sn\n0.334634 0.334634 0.113131 Sb\n0.332934 0.332934 0.277592 Sb\n0.666630 0.666630 0.388736 Sb\n0.999990 0.999990 0.499802 Sb\n0.333660 0.333660 0.610136 Sb\n0.038826 0.499738 0.086324 O\n0.822744 0.300015 0.031436 O\n0.499061 0.499061 0.092261 O\n0.826030 0.826030 0.023205 O\n0.499738 0.038826 0.086324 O\n0.300015 0.822744 0.031436 O\n0.331711 0.851606 0.189065 O\n0.157855 0.643511 0.140933 O\n0.853252 0.853252 0.194925 O\n0.160779 0.160779 0.134603 O\n0.851606 0.331711 0.189065 O\n0.643511 0.157855 0.140933 O\n0.655489 0.191166 0.301092 O\n0.475041 0.010189 0.254716 O\n0.192669 0.192669 0.307891 O\n0.473568 0.473568 0.247926 O\n0.191166 0.655489 0.301092 O\n0.010189 0.475041 0.254716 O\n0.988638 0.524793 0.412149 O\n0.808626 0.344315 0.365679 O\n0.526112 0.526112 0.418835 O\n0.807422 0.807422 0.359006 O\n0.524793 0.988638 0.412149 O\n0.344315 0.808626 0.365679 O\n0.321803 0.858456 0.522905 O\n0.141905 0.677671 0.476458 O\n0.859460 0.859460 0.529590 O\n0.140860 0.140860 0.469787 O\n0.858456 0.321803 0.522905 O\n0.677671 0.141905 0.476458 O\n0.656133 0.192758 0.632718 O\n0.474195 0.011495 0.586797 O\n0.194069 0.194069 0.639932 O\n0.473179 0.473179 0.579792 O\n0.192758 0.656133 0.632718 O\n0.011495 0.474195 0.586797 O\n0.997207 0.525289 0.744617 O\n0.809430 0.334588 0.697413 O\n0.525935 0.525935 0.752616 O\n0.808626 0.808626 0.689557 O\n0.525289 0.997207 0.744617 O\n0.334588 0.809430 0.697413 O\n0.335469 0.864361 0.854739 O\n0.140498 0.665502 0.809737 O\n0.865616 0.865616 0.865773 O\n0.139787 0.139787 0.800732 O\n0.864361 0.335469 0.854739 O\n0.665502 0.140498 0.809737 O\n0.710150 0.178449 0.972413 O\n0.473890 0.970702 0.922006 O\n0.177331 0.177331 0.982933 O\n0.473892 0.473892 0.908495 O\n0.178449 0.710150 0.972413 O\n0.970702 0.473890 0.922006 O\n",
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{
"id": "mp-1206867",
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"structure_string": "Sc2 Ga8 Co1\n1.0\n4.143223 0.000000 0.000000\n0.000000 4.143223 0.000000\n0.000000 0.000000 10.718233\nSc Ga Co\n2 8 1\ndirect\n0.000000 0.000000 0.307945 Sc\n0.000000 0.000000 0.692055 Sc\n0.000000 0.500000 0.121406 Ga\n0.000000 0.500000 0.878594 Ga\n0.500000 0.000000 0.121406 Ga\n0.500000 0.000000 0.878594 Ga\n0.500000 0.500000 0.305372 Ga\n0.500000 0.500000 0.694628 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Co\n",
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{
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{
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{
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},
{
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"formula_full": "Sr1 Y1",
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{
"id": "mp-1520608",
"created_at": "2022-09-04T14:43:56.034879Z",
"structure_string": "Ba2 Sr2 Sm2 W2 O12\n1.0\n5.968259 -0.000000 0.000000\n-0.000000 5.968259 0.000000\n0.000000 0.000000 8.693705\nBa Sr Sm W O\n2 2 2 2 12\ndirect\n0.500000 0.500000 0.500000 Ba\n-0.000000 -0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Sr\n-0.000000 -0.000000 0.000000 Sr\n0.500000 -0.000000 0.751530 Sm\n0.000000 0.500000 0.248470 Sm\n0.500000 -0.000000 0.241515 W\n-0.000000 0.500000 0.758485 W\n0.500000 -0.000000 0.010952 O\n-0.000000 0.500000 0.989048 O\n0.500000 -0.000000 0.481234 O\n-0.000000 0.500000 0.518766 O\n0.714924 0.677466 0.759929 O\n0.285076 0.322534 0.759929 O\n0.822534 0.214924 0.759929 O\n0.177466 0.785076 0.759929 O\n0.785076 0.177466 0.240071 O\n0.214924 0.822534 0.240071 O\n0.677466 0.714924 0.240071 O\n0.322534 0.285076 0.240071 O\n",
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"formula_full": "Ba2 Sr2 Sm2 W2 O12",
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{
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"structure_string": "Ba1 Mg14 Cu1 O16\n1.0\n8.911922 0.000000 0.000000\n0.000000 8.633979 0.000000\n0.000000 0.000000 4.468901\nBa Mg Cu O\n1 14 1 16\ndirect\n-0.000000 0.500000 -0.000000 Ba\n0.500000 -0.000000 -0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n-0.000000 0.232126 0.500000 Mg\n-0.000000 0.767874 0.500000 Mg\n0.500000 0.246272 0.500000 Mg\n0.500000 0.753728 0.500000 Mg\n0.252941 -0.000000 0.500000 Mg\n0.268304 0.500000 0.500000 Mg\n0.747059 0.000000 0.500000 Mg\n0.731696 0.500000 0.500000 Mg\n0.261521 0.239518 0.000000 Mg\n0.261521 0.760482 0.000000 Mg\n0.738479 0.239518 0.000000 Mg\n0.738479 0.760482 -0.000000 Mg\n-0.000000 0.000000 -0.000000 Cu\n0.271977 -0.000000 -0.000000 O\n0.279702 0.500000 0.000000 O\n0.728024 0.000000 0.000000 O\n0.720298 0.500000 -0.000000 O\n0.248727 0.250251 0.500000 O\n0.248727 0.749749 0.500000 O\n0.751273 0.250251 0.500000 O\n0.751273 0.749749 0.500000 O\n-0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.216997 -0.000000 O\n-0.000000 0.783003 0.000000 O\n0.500000 0.247415 -0.000000 O\n0.500000 0.752585 0.000000 O\n",
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"formula_full": "Ba1 Mg14 Cu1 O16",
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}