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{
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{
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"formula_full": "Yb8 Eu4 O16",
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{
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"formula_full": "Ba1 Ca1 Nd1 Mn1 O6",
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{
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{
"id": "mp-865305",
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"structure_string": "U2 O4\n1.0\n5.138506 0.000000 0.000000\n0.000000 5.138506 0.000000\n0.000000 0.000000 3.590107\nU O\n2 4\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 U\n0.308942 0.308942 0.000000 O\n0.691058 0.691058 0.000000 O\n0.191058 0.808942 0.500000 O\n0.808942 0.191058 0.500000 O\n",
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{
"id": "mp-973342",
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"structure_string": "Sb1 Rh3\n1.0\n3.969658 0.000000 0.000000\n0.000000 3.969658 0.000000\n0.000000 0.000000 3.969658\nSb Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n",
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{
"id": "mp-766688",
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"structure_string": "Mn8 Si8 O26\n1.0\n7.103624 0.000000 0.000000\n1.177452 7.723083 0.000000\n1.028393 3.756139 9.288259\nMn Si O\n8 8 26\ndirect\n0.061120 0.198107 0.002827 Mn\n0.562702 0.202618 0.992108 Mn\n0.570092 0.559896 0.621409 Mn\n0.051302 0.574002 0.620398 Mn\n0.948698 0.425998 0.379602 Mn\n0.429908 0.440104 0.378591 Mn\n0.437298 0.797382 0.007892 Mn\n0.938880 0.801893 0.997173 Mn\n0.273007 0.578383 0.827261 Si\n0.719471 0.862728 0.714195 Si\n0.388520 0.140866 0.709608 Si\n0.940560 0.165478 0.710635 Si\n0.059440 0.834522 0.289365 Si\n0.611480 0.859134 0.290392 Si\n0.280529 0.137272 0.285805 Si\n0.726993 0.421617 0.172739 Si\n0.413352 0.090855 0.881349 O\n0.885314 0.112404 0.883206 O\n0.230085 0.709800 0.921526 O\n0.492879 0.462675 0.840451 O\n0.100229 0.446678 0.840375 O\n0.723596 0.772248 0.890544 O\n0.876043 0.384554 0.603724 O\n0.446233 0.345363 0.600285 O\n0.267749 0.688105 0.649656 O\n0.773031 0.712560 0.636684 O\n0.168666 0.137963 0.687423 O\n0.504947 0.969489 0.668475 O\n0.865080 0.023297 0.651674 O\n0.134920 0.976703 0.348326 O\n0.495053 0.030511 0.331525 O\n0.831334 0.862037 0.312577 O\n0.226969 0.287440 0.363316 O\n0.732251 0.311895 0.350344 O\n0.553767 0.654637 0.399715 O\n0.123957 0.615446 0.396276 O\n0.276404 0.227752 0.109456 O\n0.899771 0.553322 0.159625 O\n0.507121 0.537325 0.159549 O\n0.769915 0.290200 0.078474 O\n0.114686 0.887596 0.116794 O\n0.586648 0.909145 0.118651 O\n",
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{
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{
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{
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"structure_string": "Na1 Si34\n1.0\n0.000000 7.360522 7.360522\n7.360522 0.000000 7.360522\n7.360522 7.360522 0.000000\nNa Si\n1 34\ndirect\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Si\n0.361100 0.754353 0.754353 Si\n0.754353 0.361100 0.130194 Si\n0.754353 0.130194 0.361100 Si\n0.130194 0.754353 0.754353 Si\n0.754353 0.754353 0.361100 Si\n0.361100 0.130194 0.754353 Si\n0.130194 0.361100 0.754353 Si\n0.754353 0.754353 0.130194 Si\n0.754353 0.361100 0.754353 Si\n0.130194 0.754353 0.361100 Si\n0.361100 0.754353 0.130194 Si\n0.754353 0.130194 0.754353 Si\n0.889127 0.495746 0.495746 Si\n0.495746 0.889127 0.119382 Si\n0.495746 0.119382 0.889127 Si\n0.119382 0.495746 0.495746 Si\n0.495746 0.495746 0.889127 Si\n0.889127 0.119382 0.495746 Si\n0.119382 0.889127 0.495746 Si\n0.495746 0.495746 0.119382 Si\n0.495746 0.889127 0.495746 Si\n0.119382 0.495746 0.889127 Si\n0.889127 0.495746 0.119382 Si\n0.495746 0.119382 0.495746 Si\n0.276845 0.907718 0.907718 Si\n0.907718 0.276845 0.907718 Si\n0.907718 0.907718 0.276845 Si\n0.907718 0.907718 0.907718 Si\n0.973496 0.342168 0.342168 Si\n0.342168 0.973496 0.342168 Si\n0.342168 0.342168 0.973496 Si\n0.342168 0.342168 0.342168 Si\n",
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},
{
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"created_at": "2022-09-04T14:45:20.051631Z",
"structure_string": "Eu4 Zn2 Ge6\n1.0\n0.000000 4.411332 7.405249\n4.262169 0.000000 7.405249\n4.262169 4.411332 0.000000\nEu Zn Ge\n4 2 6\ndirect\n0.244632 0.755368 0.244632 Eu\n0.755368 0.244632 0.755368 Eu\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.333537 0.333537 0.666463 Zn\n0.666463 0.666463 0.333537 Zn\n0.168889 0.168889 0.831111 Ge\n0.831111 0.831111 0.168889 Ge\n0.830363 0.338293 0.169637 Ge\n0.661707 0.169637 0.338293 Ge\n0.338293 0.830363 0.661707 Ge\n0.169637 0.661707 0.830363 Ge\n",
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],
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"density": 7.003856238701542,
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"volume": 278.46465072935405,
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"formula_full": "Eu4 Zn2 Ge6",
"formula_reduced": "Eu2ZnGe3",
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{
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"structure_string": "Li6 V1 Ni3 P6 O24\n1.0\n8.615947 0.000000 0.000000\n4.203023 7.577878 0.000000\n4.254974 2.474099 7.138997\nLi V Ni P O\n6 1 3 6 24\ndirect\n0.028470 0.018887 0.005781 Li\n0.747557 0.158186 0.351723 Li\n0.479071 0.503917 0.489476 Li\n0.297290 0.851218 0.641440 Li\n0.645927 0.302157 0.844280 Li\n0.848319 0.643748 0.298947 Li\n0.851057 0.850464 0.852918 V\n0.142964 0.146695 0.141756 Ni\n0.357379 0.361560 0.353942 Ni\n0.644930 0.647766 0.646535 Ni\n0.045310 0.748686 0.449417 P\n0.451492 0.044023 0.747301 P\n0.748184 0.451705 0.042074 P\n0.242267 0.544617 0.958429 P\n0.546126 0.962587 0.245709 P\n0.956417 0.242482 0.538082 P\n0.136043 0.258934 0.510933 O\n0.266617 0.528018 0.128272 O\n0.047687 0.921336 0.270780 O\n0.551593 0.121210 0.273541 O\n0.232828 0.593307 0.449615 O\n0.979234 0.815024 0.621850 O\n0.265795 0.074207 0.905459 O\n0.481991 0.219603 0.577461 O\n0.592900 0.451004 0.233437 O\n0.185736 0.388683 0.989069 O\n0.089193 0.745025 0.903217 O\n0.379721 0.009433 0.197076 O\n0.621985 0.971538 0.820874 O\n0.905046 0.262124 0.067971 O\n0.819901 0.618672 0.979419 O\n0.415572 0.553883 0.773221 O\n0.555661 0.775158 0.414917 O\n0.743084 0.904791 0.086136 O\n0.964995 0.195604 0.384733 O\n0.775021 0.416345 0.557126 O\n0.474118 0.888875 0.692661 O\n0.905463 0.087223 0.738968 O\n0.686834 0.481728 0.889187 O\n0.890222 0.688571 0.477268 O\n",
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"elements": [
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"Ni",
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"O"
],
"chemical_system": "Li-Ni-O-P-V",
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"density_atomic": 0.08581676992629342,
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"formula_full": "Li6 V1 Ni3 P6 O24",
"formula_reduced": "Li6VNi3(PO4)6",
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"energy": -284.60730112,
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}
]
}