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{
"id": "mp-972337",
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{
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},
{
"id": "mp-12919",
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"spacegroup": 109
},
{
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"created_at": "2022-09-04T14:44:19.389573Z",
"structure_string": "La1 Sm3 Fe4 O12\n1.0\n7.824693 0.000000 0.000000\n0.000000 5.475960 0.000000\n0.000000 0.006049 5.696316\nLa Sm Fe O\n1 3 4 12\ndirect\n0.500000 0.488172 0.551069 La\n0.500000 0.014919 0.059588 Sm\n0.000000 0.514845 0.436086 Sm\n0.000000 0.986311 0.939538 Sm\n0.247982 0.499312 0.998380 Fe\n0.752697 0.000537 0.500262 Fe\n0.752018 0.499312 0.998380 Fe\n0.247303 0.000537 0.500262 Fe\n0.299106 0.193967 0.805369 O\n0.704112 0.297874 0.297032 O\n0.803884 0.798673 0.201110 O\n0.195449 0.698485 0.698917 O\n0.196116 0.798673 0.201110 O\n0.804551 0.698485 0.698917 O\n0.700894 0.193967 0.805369 O\n0.295888 0.297874 0.297032 O\n0.500000 0.600128 0.976431 O\n0.500000 0.915874 0.467839 O\n0.000000 0.398990 0.031800 O\n0.000000 0.103064 0.535511 O\n",
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"formula_full": "La1 Sm3 Fe4 O12",
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},
{
"id": "mp-21440",
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"structure_string": "Nb3 Cr3 Ge3\n1.0\n3.384908 -5.862833 0.000000\n3.384908 5.862833 0.000000\n0.000000 0.000000 3.377340\nNb Cr Ge\n3 3 3\ndirect\n0.000000 0.595791 0.500000 Nb\n0.595791 0.000000 0.500000 Nb\n0.404209 0.404209 0.500000 Nb\n0.256274 0.000000 0.000000 Cr\n0.743726 0.743726 0.000000 Cr\n0.000000 0.256274 0.000000 Cr\n0.666667 0.333333 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n0.333333 0.666667 0.000000 Ge\n",
"nsites": 9,
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{
"id": "mp-769572",
"created_at": "2022-09-04T14:44:19.409543Z",
"structure_string": "Li6 Al6 V6 O24\n1.0\n5.245991 -0.061031 -0.025588\n-0.066868 5.786894 0.073968\n-0.298496 -2.795416 14.206664\nLi Al V O\n6 6 6 24\ndirect\n0.494452 0.990079 0.498411 Li\n0.994606 0.490519 0.998714 Li\n0.170699 0.815409 0.172873 Li\n0.670971 0.314893 0.673242 Li\n0.341804 0.179803 0.330835 Li\n0.841727 0.679367 0.830756 Li\n0.650884 0.590375 0.170406 Al\n0.151142 0.090212 0.670520 Al\n0.828908 0.918479 0.333181 Al\n0.328063 0.418360 0.833226 Al\n0.996586 0.243489 0.498982 Al\n0.496341 0.743113 0.998941 Al\n0.984281 0.750841 0.501505 V\n0.698986 0.081976 0.161756 V\n0.199211 0.581994 0.661717 V\n0.484503 0.250615 0.001351 V\n0.838334 0.423231 0.332791 V\n0.338459 0.923305 0.832996 V\n0.386117 0.028257 0.074357 O\n0.885956 0.528419 0.574532 O\n0.367199 0.545564 0.080948 O\n0.867023 0.045801 0.580980 O\n0.551384 0.367042 0.247570 O\n0.051776 0.866591 0.747703 O\n0.536090 0.884063 0.241381 O\n0.035949 0.383657 0.741464 O\n0.703642 0.713015 0.411623 O\n0.203351 0.212703 0.911732 O\n0.706056 0.185456 0.410249 O\n0.205410 0.685075 0.910583 O\n0.792365 0.784717 0.087330 O\n0.292367 0.284813 0.587525 O\n0.788390 0.312400 0.092065 O\n0.288452 0.812220 0.592193 O\n0.940020 0.648961 0.254445 O\n0.439957 0.148979 0.754530 O\n0.979741 0.120129 0.256474 O\n0.479233 0.619799 0.756828 O\n0.127694 0.965252 0.426015 O\n0.627476 0.464770 0.925938 O\n0.116381 0.449336 0.418254 O\n0.616814 0.948172 0.918172 O\n",
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"formula_full": "Li6 Al6 V6 O24",
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"spacegroup": 1
},
{
"id": "mp-540725",
"created_at": "2022-09-04T14:44:19.429441Z",
"structure_string": "Cs1 Be4 Al4 B12 O28\n1.0\n7.418220 0.000000 0.000000\n0.000000 7.418220 0.000000\n0.000000 0.000000 7.418220\nCs Be Al B O\n1 4 4 12 28\ndirect\n0.000000 0.000000 0.000000 Cs\n0.739869 0.739869 0.739869 Be\n0.260131 0.739869 0.260131 Be\n0.260131 0.260131 0.739869 Be\n0.739869 0.260131 0.260131 Be\n0.360365 0.360365 0.360365 Al\n0.639635 0.360365 0.639635 Al\n0.639635 0.639635 0.360365 Al\n0.360365 0.639635 0.639635 Al\n0.249494 0.500000 0.000000 B\n0.750506 0.000000 0.500000 B\n0.000000 0.500000 0.249494 B\n0.000000 0.500000 0.750506 B\n0.500000 0.750506 0.000000 B\n0.500000 0.249494 0.000000 B\n0.000000 0.249494 0.500000 B\n0.500000 0.000000 0.249494 B\n0.000000 0.750506 0.500000 B\n0.500000 0.000000 0.750506 B\n0.750506 0.500000 0.000000 B\n0.249494 0.000000 0.500000 B\n0.618444 0.618444 0.618444 O\n0.381556 0.618444 0.381556 O\n0.381556 0.381556 0.618444 O\n0.618444 0.381556 0.381556 O\n0.362089 0.362089 0.095163 O\n0.637911 0.095163 0.637911 O\n0.637911 0.904837 0.362089 O\n0.904837 0.637911 0.362089 O\n0.095163 0.637911 0.637911 O\n0.362089 0.637911 0.904837 O\n0.637911 0.362089 0.904837 O\n0.095163 0.362089 0.362089 O\n0.362089 0.095163 0.362089 O\n0.904837 0.362089 0.637911 O\n0.362089 0.904837 0.637911 O\n0.637911 0.637911 0.095163 O\n0.137028 0.137028 0.596399 O\n0.862972 0.596399 0.862972 O\n0.862972 0.403601 0.137028 O\n0.403601 0.862972 0.137028 O\n0.596399 0.862972 0.862972 O\n0.137028 0.862972 0.403601 O\n0.862972 0.137028 0.403601 O\n0.596399 0.137028 0.137028 O\n0.137028 0.596399 0.137028 O\n0.403601 0.137028 0.862972 O\n0.137028 0.403601 0.862972 O\n0.862972 0.862972 0.596399 O\n",
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"formula_full": "Cs1 Be4 Al4 B12 O28",
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{
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"structure_string": "Ga50 N50\n1.0\n11.200499 0.099281 -0.675869\n0.083261 11.323720 -0.002904\n-0.695108 -0.012126 11.724736\nGa N\n50 50\ndirect\n0.766766 0.870921 0.397383 Ga\n0.555864 0.216809 0.309598 Ga\n0.112978 0.267531 0.772992 Ga\n0.487002 0.550602 0.416822 Ga\n0.444695 0.365292 0.167557 Ga\n0.809538 0.662843 0.732411 Ga\n0.643813 0.697841 0.937383 Ga\n0.845303 0.581661 0.274524 Ga\n0.747638 0.274878 0.428823 Ga\n0.021060 0.537809 0.897231 Ga\n0.775684 0.889943 0.895895 Ga\n0.163058 0.950593 0.156049 Ga\n0.707527 0.553164 0.525216 Ga\n0.745047 0.417698 0.059895 Ga\n0.189088 0.380576 0.491984 Ga\n0.193695 0.691196 0.579388 Ga\n0.885343 0.085506 0.258156 Ga\n0.628331 0.564782 0.252952 Ga\n0.028685 0.475342 0.102301 Ga\n0.989686 0.087186 0.032810 Ga\n0.997288 0.858322 0.474239 Ga\n0.272665 0.370523 0.927784 Ga\n0.974141 0.358520 0.312959 Ga\n0.445414 0.799940 0.185143 Ga\n0.028556 0.637336 0.702970 Ga\n0.425351 0.025499 0.325429 Ga\n0.387807 0.113842 0.073600 Ga\n0.084808 0.605676 0.362647 Ga\n0.194572 0.825119 0.755686 Ga\n0.718818 0.126584 0.730297 Ga\n0.274441 0.466246 0.260058 Ga\n0.596958 0.834656 0.656655 Ga\n0.225413 0.658195 0.919979 Ga\n0.995122 0.863382 0.950021 Ga\n0.563537 0.794657 0.437835 Ga\n0.200648 0.041349 0.852676 Ga\n0.504046 0.010499 0.838083 Ga\n0.490925 0.561428 0.985140 Ga\n0.340622 0.902047 0.588007 Ga\n0.865902 0.788453 0.167492 Ga\n0.772825 0.136816 0.990531 Ga\n0.639376 0.916223 0.143712 Ga\n0.172790 0.194399 0.230839 Ga\n0.918181 0.329344 0.881826 Ga\n0.371876 0.836130 0.967874 Ga\n0.151468 0.702699 0.115162 Ga\n0.007350 0.183907 0.518223 Ga\n0.280801 0.770997 0.361421 Ga\n0.961941 0.464645 0.567121 Ga\n0.775997 0.340316 0.698598 Ga\n0.229880 0.549361 0.481527 N\n0.837510 0.558172 0.875183 N\n0.731640 0.018527 0.505054 N\n0.080001 0.319368 0.596862 N\n0.123760 0.762146 0.423863 N\n0.018007 0.814294 0.110584 N\n0.163912 0.331718 0.333175 N\n0.795492 0.395438 0.546772 N\n0.432585 0.177940 0.514682 N\n0.635839 0.453590 0.745269 N\n0.960894 0.505749 0.402950 N\n0.514303 0.682858 0.301159 N\n0.509853 0.214998 0.834572 N\n0.723466 0.818313 0.039502 N\n0.331589 0.526470 0.936744 N\n0.534304 0.272836 0.911738 N\n0.565751 0.078792 0.108094 N\n0.932954 0.067186 0.658411 N\n0.358640 0.277261 0.043307 N\n0.887350 0.438808 0.177469 N\n0.336774 0.355242 0.631209 N\n0.354346 0.354449 0.727750 N\n0.445811 0.650737 0.686420 N\n0.132835 0.566792 0.211920 N\n0.212825 0.037361 0.552743 N\n0.269036 0.808137 0.200449 N\n0.692872 0.769683 0.790933 N\n0.397051 0.884895 0.432118 N\n0.108259 0.028426 0.518779 N\n0.036969 0.254292 0.012782 N\n0.958720 0.968903 0.670814 N\n0.117960 0.985815 0.982412 N\n0.504694 0.175953 0.589484 N\n0.903703 0.215596 0.378974 N\n0.293525 0.072704 0.202716 N\n0.042486 0.077446 0.204451 N\n0.599997 0.469214 0.831974 N\n0.099862 0.303464 0.092584 N\n0.766815 0.562329 0.952803 N\n0.681499 0.038947 0.865451 N\n0.797152 0.933184 0.249332 N\n0.315251 0.584365 0.403667 N\n0.699843 0.998723 0.596299 N\n0.373988 0.008795 0.934209 N\n0.581578 0.470353 0.112907 N\n0.472019 0.936671 0.697317 N\n0.747142 0.160664 0.153238 N\n0.637204 0.148526 0.176213 N\n0.447571 0.565991 0.636886 N\n0.776901 0.299482 0.951420 N\n",
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},
{
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"structure_string": "Al2 F6\n1.0\n7.079555 1.406216 6.217755\n-2.128311 2.148847 2.023562\n-4.703792 -3.102180 -1.766800\nAl F\n2 6\ndirect\n0.555288 0.305779 0.034099 Al\n0.830228 0.305626 0.848218 Al\n0.193217 0.305751 0.440671 F\n0.694023 0.305788 0.943271 F\n0.836702 0.805635 0.863956 F\n0.548238 0.805795 0.017795 F\n0.910090 0.298661 0.654316 F\n0.475077 0.312693 0.227672 F\n",
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