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{
"id": "jvasp-44908",
"created_at": "2022-09-04T14:38:07.799933Z",
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"structure_string": "Li1 Cr1 C2 O6\n1.0\n2.308462 1.027591 -3.864070\n-0.000000 4.069853 3.840545\n2.308461 -1.027592 3.864070\nLi Cr C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.500000 0.500000 Cr\n0.244714 0.734144 0.755285 C\n0.755284 0.265856 0.244715 C\n0.042092 0.264011 0.260255 O\n0.517825 0.735988 0.042092 O\n0.260254 0.735988 0.482174 O\n0.739744 0.264011 0.517826 O\n0.482173 0.264012 0.957908 O\n0.957907 0.735988 0.739745 O\n",
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{
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{
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"structure_string": "Sr2 Ni1 Mo1 O6\n1.0\n4.805988 -0.000000 -2.773170\n-1.600185 4.531768 -2.773170\n0.024061 0.034013 5.592746\nSr Ni Mo O\n2 1 1 6\ndirect\n0.750000 0.250000 0.500000 Sr\n0.249999 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Mo\n0.793842 0.720465 0.000000 O\n0.279534 0.793842 -0.000000 O\n0.720465 0.206158 0.000000 O\n0.206158 0.279535 0.000000 O\n0.242610 0.242610 0.485220 O\n0.757389 0.757390 0.514780 O\n",
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"formula_full": "Sr2 Ni1 Mo1 O6",
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{
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"created_at": "2022-09-04T14:38:10.412568Z",
"updated_at": "2022-09-04T14:38:10.412606Z",
"structure_string": "K4 Li2 Al2 H12\n1.0\n5.330199 0.000944 7.991785\n2.421303 4.748507 7.991785\n0.001541 0.000944 9.606230\nK Li Al H\n4 2 2 12\ndirect\n0.714264 0.714263 0.714264 K\n0.872789 0.872789 0.872789 K\n0.127211 0.127210 0.127211 K\n0.285736 0.285736 0.285736 K\n0.592941 0.592940 0.592941 Li\n0.407059 0.407059 0.407059 Li\n0.500000 0.499999 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.830823 0.393727 0.393727 H\n0.169177 0.606272 0.606272 H\n0.189779 0.189778 0.732799 H\n0.393727 0.830822 0.393727 H\n0.393728 0.393727 0.830822 H\n0.810222 0.267200 0.810222 H\n0.810221 0.810221 0.267201 H\n0.267201 0.810221 0.810222 H\n0.732799 0.189778 0.189778 H\n0.189778 0.732799 0.189778 H\n0.606273 0.169177 0.606273 H\n0.606272 0.606272 0.169177 H\n",
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{
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"created_at": "2022-09-04T14:38:10.420861Z",
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"structure_string": "Li1 Co2 Ni1 O6\n1.0\n-2.822841 0.037408 -0.021126\n-0.078253 -5.773354 0.118621\n1.388443 1.525823 5.885003\nLi Co Ni O\n1 2 1 6\ndirect\n0.666650 0.833325 0.333329 Li\n0.338916 0.655460 0.677793 Co\n0.994419 0.011206 0.988874 Co\n0.666669 0.333336 0.333331 Ni\n0.178409 0.560130 0.356884 O\n0.154934 0.106542 0.309783 O\n0.837553 0.876805 0.675215 O\n0.828064 0.439559 0.655968 O\n0.495777 0.789861 0.991453 O\n0.505272 0.227106 0.010697 O\n",
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{
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"created_at": "2022-09-04T14:38:07.494068Z",
"updated_at": "2022-09-04T14:38:07.494086Z",
"structure_string": "Rb1 Na2 As1 F6\n1.0\n5.660146 -0.000000 3.267887\n1.886715 5.336437 3.267887\n-0.000000 -0.000000 6.535774\nRb Na As F\n1 2 1 6\ndirect\n0.500001 0.500000 0.500000 Rb\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 As\n0.777987 0.222014 0.222014 F\n0.222014 0.222014 0.777986 F\n0.222015 0.777987 0.777986 F\n0.222015 0.777987 0.222014 F\n0.777987 0.222014 0.777986 F\n0.777987 0.777987 0.222014 F\n",
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"formula_full": "Rb1 Na2 As1 F6",
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{
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"created_at": "2022-09-04T14:38:07.321188Z",
"updated_at": "2022-09-04T14:38:07.321215Z",
"structure_string": "Li2 Mn2 Si4 O12\n1.0\n6.591473 0.048008 -0.014331\n-0.691946 6.555230 0.014331\n-1.420654 1.269255 4.943292\nLi Mn Si O\n2 2 4 12\ndirect\n0.241550 0.241550 0.250000 Li\n0.758449 0.758451 0.750000 Li\n0.104632 0.104633 0.750000 Mn\n0.895367 0.895368 0.250000 Mn\n0.208730 0.610230 0.759066 Si\n0.389771 0.791270 0.259066 Si\n0.610229 0.208731 0.740934 Si\n0.791270 0.389771 0.240934 Si\n0.797793 0.029429 0.863979 O\n0.659759 0.370914 0.468450 O\n0.626242 0.887422 0.345181 O\n0.629087 0.340242 0.968450 O\n0.370913 0.659759 0.031550 O\n0.112578 0.373758 0.845181 O\n0.340241 0.629087 0.531549 O\n0.202206 0.970572 0.136021 O\n0.887421 0.626243 0.154818 O\n0.029428 0.797794 0.636021 O\n0.373757 0.112579 0.654818 O\n0.970572 0.202207 0.363979 O\n",
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{
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"structure_string": "Ba2 Lu1 Ru1 O6\n1.0\n5.089080 -0.000000 2.938182\n1.696360 4.798030 2.938182\n0.000000 0.000000 5.876363\nBa Lu Ru O\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.499999 Ru\n0.262272 0.737728 0.737727 O\n0.262272 0.737728 0.262272 O\n0.737728 0.262272 0.737727 O\n0.262272 0.262272 0.737727 O\n0.737728 0.262272 0.262272 O\n0.737728 0.737728 0.262271 O\n",
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{
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"structure_string": "Rb2 In1 Ga1 F6\n1.0\n-0.000000 4.497040 4.497040\n4.497040 -0.000000 4.497040\n4.497040 4.497040 -0.000000\nRb In Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ga\n0.285694 0.714306 0.714306 F\n0.285694 0.714306 0.285694 F\n0.714306 0.285694 0.714306 F\n0.714306 0.714306 0.285694 F\n0.285694 0.285694 0.714306 F\n0.714306 0.285694 0.285694 F\n",
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"structure_string": "Li1 Cr1 Co2 O6\n1.0\n2.856904 0.000794 -0.000629\n-0.001836 5.834908 0.078192\n-1.426509 -1.548788 5.872254\nLi Cr Co O\n1 1 2 6\ndirect\n0.666671 0.833290 0.333308 Li\n0.666536 0.333311 0.333339 Cr\n0.337931 0.659813 0.675788 Co\n0.995482 0.006880 0.990883 Co\n0.506089 0.221281 0.012044 O\n0.174269 0.563762 0.348633 O\n0.158943 0.102881 0.318046 O\n0.838510 0.876526 0.676922 O\n0.827326 0.445417 0.654622 O\n0.494888 0.790167 0.989743 O\n",
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"structure_string": "Sr4 U2 Mn2 O12\n1.0\n5.903257 0.000000 0.000000\n0.000000 5.850793 -0.004684\n0.000000 0.011784 8.169107\nSr U Mn O\n4 2 2 12\ndirect\n0.536613 0.506136 0.249230 Sr\n0.963388 0.006136 0.749230 Sr\n0.463388 0.493863 0.750770 Sr\n0.036612 0.993863 0.250771 Sr\n0.000000 0.499999 0.500000 U\n0.500000 0.000000 0.000000 U\n0.000000 0.500000 0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.979644 0.423045 0.245418 O\n0.708517 0.287452 0.960544 O\n0.791483 0.787452 0.460544 O\n0.213347 0.209072 0.958818 O\n0.713347 0.290927 0.541183 O\n0.291483 0.712547 0.039457 O\n0.520357 0.923045 0.745419 O\n0.020357 0.576954 0.754583 O\n0.786654 0.790927 0.041183 O\n0.208517 0.212547 0.539457 O\n0.286653 0.709072 0.458818 O\n0.479644 0.076954 0.254582 O\n",
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}