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{
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{
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{
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"structure_string": "Re3 Ir1\n1.0\n3.906077 0.000000 0.000000\n0.000000 3.906077 0.000000\n0.000000 0.000000 3.906077\nRe Ir\n3 1\ndirect\n0.000000 0.500000 0.500000 Re\n0.500000 0.000000 0.500000 Re\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.000000 Ir\n",
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{
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"structure_string": "Ir8 C16\n1.0\n3.146000 -4.097695 0.000000\n3.146000 4.097695 0.000000\n0.000000 0.000000 9.409346\nIr C\n8 16\ndirect\n0.744278 0.255722 0.500000 Ir\n0.244278 0.755722 0.000000 Ir\n0.255722 0.744278 0.500000 Ir\n0.755722 0.244278 0.000000 Ir\n0.303710 0.303710 0.706112 Ir\n0.696290 0.696290 0.293888 Ir\n0.196290 0.196290 0.206112 Ir\n0.803710 0.803710 0.793888 Ir\n0.671822 0.836951 0.515678 C\n0.163049 0.328178 0.484322 C\n0.663049 0.828178 0.015678 C\n0.171822 0.336951 0.984322 C\n0.328178 0.163049 0.484322 C\n0.836951 0.671822 0.515678 C\n0.336951 0.171822 0.984322 C\n0.828178 0.663049 0.015678 C\n0.620948 0.273491 0.216521 C\n0.726509 0.379052 0.783479 C\n0.226509 0.879052 0.716521 C\n0.120948 0.773491 0.283479 C\n0.379052 0.726509 0.783479 C\n0.273491 0.620948 0.216521 C\n0.773491 0.120948 0.283479 C\n0.879052 0.226509 0.716521 C\n",
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{
"id": "mp-756254",
"created_at": "2022-09-04T14:41:59.669658Z",
"structure_string": "Li4 Ni4 Sb4 O16\n1.0\n6.056587 0.000001 0.000000\n-0.000001 7.047164 4.983238\n-0.000001 -3.586352 5.071801\nLi Ni Sb O\n4 4 4 16\ndirect\n0.250000 0.107285 0.999999 Li\n0.750000 0.607310 0.499999 Li\n0.750000 0.892715 0.000002 Li\n0.250000 0.392689 0.500002 Li\n0.999999 0.999999 0.500012 Ni\n0.499996 0.999995 0.500005 Ni\n0.500002 0.500010 0.999995 Ni\n0.000005 0.499998 0.999984 Ni\n0.750000 0.249994 0.250011 Sb\n0.249999 0.750006 0.749990 Sb\n0.749999 0.249993 0.749989 Sb\n0.249999 0.750006 0.250011 Sb\n0.523826 0.252226 0.000000 O\n0.023808 0.752208 0.500000 O\n0.976174 0.252226 0.000000 O\n0.476192 0.752208 0.500000 O\n0.023827 0.747774 0.999999 O\n0.523807 0.247792 0.500001 O\n0.476173 0.747774 0.000000 O\n0.976193 0.247792 0.500001 O\n0.750000 0.477474 0.229720 O\n0.250000 0.977475 0.729740 O\n0.750000 0.477474 0.770266 O\n0.250000 0.977475 0.270248 O\n0.250001 0.522527 0.770278 O\n0.750000 0.022524 0.270261 O\n0.250000 0.522527 0.229734 O\n0.750000 0.022524 0.729754 O\n",
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"density": 5.142315921194237,
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"volume": 324.7145787447152,
"volume_molar": 6.983846071517067,
"formula_full": "Li4 Ni4 Sb4 O16",
"formula_reduced": "LiNiSbO4",
"formula_anonymous": "ABCD4",
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{
"id": "mp-849563",
"created_at": "2022-09-04T14:42:00.058197Z",
"structure_string": "Li10 Fe8 P16 O56\n1.0\n9.801186 -0.063905 0.008999\n0.024357 9.791131 0.007531\n-2.331082 0.003091 10.926216\nLi Fe P O\n10 8 16 56\ndirect\n0.091735 0.109465 0.027816 Li\n0.415399 0.597176 0.975576 Li\n0.327017 0.911758 0.454274 Li\n0.380861 0.220813 0.550274 Li\n0.652450 0.059270 0.527260 Li\n0.848183 0.581380 0.956890 Li\n0.645113 0.106556 0.041295 Li\n0.910453 0.892675 0.968873 Li\n0.837273 0.582247 0.464118 Li\n0.890701 0.282907 0.547325 Li\n0.204293 0.913304 0.676662 Fe\n0.250864 0.215066 0.827069 Fe\n0.251976 0.704227 0.177114 Fe\n0.291476 0.424649 0.328466 Fe\n0.698827 0.581036 0.673334 Fe\n0.747958 0.295022 0.827448 Fe\n0.744886 0.782370 0.178088 Fe\n0.800102 0.071880 0.320566 Fe\n0.022229 0.450815 0.750484 P\n0.118795 0.707708 0.887542 P\n0.061572 0.922893 0.237386 P\n0.123511 0.147069 0.423423 P\n0.374772 0.644182 0.573470 P\n0.432659 0.425617 0.760955 P\n0.522006 0.048760 0.758056 P\n0.385451 0.214323 0.115171 P\n0.613189 0.788518 0.886174 P\n0.475177 0.949223 0.246556 P\n0.566160 0.576412 0.240561 P\n0.621297 0.354634 0.424828 P\n0.880278 0.853176 0.577288 P\n0.939056 0.073971 0.759362 P\n0.887660 0.294760 0.113681 P\n0.975957 0.553834 0.245583 P\n0.014129 0.424488 0.617689 O\n0.033386 0.848245 0.567778 O\n0.089022 0.086210 0.732046 O\n0.107887 0.590823 0.784868 O\n0.104756 0.343922 0.838568 O\n0.176483 0.829264 0.827308 O\n0.225615 0.657800 0.003077 O\n0.028157 0.264335 0.090454 O\n0.113919 0.067503 0.296061 O\n0.061576 0.933876 0.103042 O\n0.128675 0.542520 0.221322 O\n0.194127 0.283398 0.406293 O\n0.170151 0.816981 0.298781 O\n0.221745 0.062748 0.521149 O\n0.291681 0.565397 0.465816 O\n0.342066 0.304548 0.698476 O\n0.317065 0.787665 0.590809 O\n0.369038 0.035579 0.777192 O\n0.366078 0.563970 0.698074 O\n0.422807 0.429026 0.892538 O\n0.473084 0.759028 0.910545 O\n0.275586 0.166296 0.998512 O\n0.325228 0.330235 0.180692 O\n0.392594 0.089953 0.212441 O\n0.414641 0.587842 0.265660 O\n0.388691 0.842931 0.161726 O\n0.470680 0.343551 0.441852 O\n0.525842 0.089681 0.628525 O\n0.483242 0.930730 0.381437 O\n0.531261 0.655648 0.572523 O\n0.611025 0.142383 0.856101 O\n0.584589 0.415633 0.735220 O\n0.596209 0.901894 0.777943 O\n0.689257 0.670783 0.833601 O\n0.718975 0.849373 0.999746 O\n0.525553 0.233555 0.086899 O\n0.572751 0.585023 0.107960 O\n0.619589 0.428792 0.295788 O\n0.623741 0.961101 0.213168 O\n0.688561 0.213609 0.417004 O\n0.672446 0.681957 0.309924 O\n0.716923 0.441748 0.523201 O\n0.790211 0.940714 0.477642 O\n0.837745 0.185611 0.694799 O\n0.821792 0.710361 0.594237 O\n0.873702 0.468898 0.783804 O\n0.935319 0.070019 0.893405 O\n0.877090 0.928594 0.706455 O\n0.976776 0.726325 0.916333 O\n0.791229 0.360519 0.997341 O\n0.812128 0.172537 0.162643 O\n0.887767 0.643121 0.142969 O\n0.904357 0.403813 0.223911 O\n0.911624 0.905087 0.264236 O\n0.972141 0.161085 0.438481 O\n0.970715 0.592837 0.372797 O\n",
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{
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"structure_string": "Li2 Gd2 Se4\n1.0\n-2.878194 2.878194 5.803574\n2.878194 -2.878194 5.803574\n2.878194 2.878194 -5.803574\nLi Gd Se\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 Li\n0.500000 0.500000 0.000000 Gd\n0.250000 0.750000 0.500000 Gd\n0.748882 0.748882 0.000000 Se\n0.251118 0.251118 0.000000 Se\n0.001118 0.501118 0.500000 Se\n0.498882 0.998882 0.500000 Se\n",
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{
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{
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},
{
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"structure_string": "K2 V2 S2 O18\n1.0\n-5.895867 0.000000 1.756756\n-0.022134 0.000000 -6.301890\n0.000000 -11.329175 0.000000\nK V S O\n2 2 2 18\ndirect\n0.715352 0.774334 0.178674 K\n0.284648 0.225666 0.678674 K\n0.894652 0.643315 0.872225 V\n0.105348 0.356685 0.372225 V\n0.423520 0.744356 0.855688 S\n0.576480 0.255644 0.355688 S\n0.860824 0.724121 0.606861 O\n0.139176 0.275879 0.106861 O\n0.734435 0.701010 0.517554 O\n0.265565 0.298990 0.017554 O\n0.451219 0.809135 0.978749 O\n0.548781 0.190865 0.478749 O\n0.472084 0.922872 0.770189 O\n0.527916 0.077128 0.270189 O\n0.568552 0.584960 0.828212 O\n0.431448 0.415040 0.328212 O\n0.826912 0.546818 0.677207 O\n0.173088 0.453182 0.177207 O\n0.815194 0.414385 0.331644 O\n0.184806 0.585615 0.831644 O\n0.851789 0.534538 0.005533 O\n0.148211 0.465462 0.505533 O\n0.971806 0.912599 0.884264 O\n0.028194 0.087401 0.384264 O\n",
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],
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}
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}