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{
"id": "jvasp-49112",
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"structure_string": "Mn2 B2 O6\n1.0\n2.322310 1.340786 4.855529\n-2.322310 1.340786 4.855529\n-0.000000 -2.681572 4.855529\nMn B O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.499999 Mn\n0.250000 0.250000 0.249999 B\n0.750001 0.750001 0.749998 B\n0.250001 0.951517 0.548482 O\n0.048484 0.451517 0.749999 O\n0.451517 0.750001 0.048483 O\n0.548484 0.250001 0.951515 O\n0.951517 0.548485 0.249999 O\n0.750001 0.048484 0.451515 O\n",
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{
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"structure_string": "Li4 Cr2 Cu2 O8\n1.0\n6.031987 -0.591754 0.015835\n-0.223506 6.056821 0.015835\n-2.892950 -2.721910 3.971777\nLi Cr Cu O\n4 2 2 8\ndirect\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.499999 Li\n0.500000 0.000000 -0.000001 Li\n0.499999 0.500000 -0.000001 Li\n-0.000001 0.500000 -0.000001 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.264195 0.735809 0.015063 O\n0.271059 0.199265 0.485161 O\n0.264190 0.735803 0.484935 O\n0.800734 0.728940 0.014837 O\n0.199265 0.271060 0.985161 O\n0.735809 0.264196 0.515063 O\n0.728940 0.800734 0.514837 O\n0.735804 0.264191 0.984936 O\n",
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{
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"created_at": "2022-09-04T14:35:41.521665Z",
"updated_at": "2022-09-04T14:35:41.521682Z",
"structure_string": "Co1 Si1 H12 O6 F6\n1.0\n6.184532 -0.025242 -0.667587\n-0.740832 6.140053 -0.667587\n-0.022471 -0.025242 6.220419\nCo Si H O F\n1 1 12 6 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Si\n0.583756 0.810684 0.936693 H\n0.936693 0.583756 0.810682 H\n0.810683 0.936694 0.583755 H\n0.063307 0.416245 0.189317 H\n0.189319 0.063308 0.416244 H\n0.313834 0.221824 0.821316 H\n0.178686 0.686166 0.778176 H\n0.778177 0.178686 0.686166 H\n0.686167 0.778177 0.178684 H\n0.821316 0.313833 0.221822 H\n0.221824 0.821316 0.313834 H\n0.416245 0.189318 0.063306 H\n0.308694 0.126763 0.937692 O\n0.062308 0.691306 0.873238 O\n0.691307 0.873238 0.062307 O\n0.937693 0.308694 0.126762 O\n0.873238 0.062308 0.691306 O\n0.126763 0.937693 0.308693 O\n0.712757 0.668933 0.431027 F\n0.668934 0.431029 0.712757 F\n0.431028 0.712756 0.668932 F\n0.287244 0.331068 0.568972 F\n0.568971 0.287243 0.331066 F\n0.331067 0.568972 0.287243 F\n",
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{
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"created_at": "2022-09-04T14:38:53.390619Z",
"updated_at": "2022-09-04T14:38:53.390645Z",
"structure_string": "Er1 Al3 B4 O12\n1.0\n5.713598 -0.010657 -1.465674\n-1.886606 5.393147 -1.465674\n-0.007577 -0.010657 5.898588\nEr Al B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Er\n-0.000001 0.444698 0.555302 Al\n0.444698 0.555302 0.000001 Al\n0.555301 -0.000001 0.444699 Al\n0.500000 0.500000 0.500001 B\n0.500000 0.056254 0.943746 B\n0.056254 0.943746 0.500001 B\n0.943745 0.500000 0.056256 B\n0.369744 0.219256 0.971045 O\n0.780743 0.630255 0.028956 O\n0.028955 0.780743 0.630256 O\n0.630255 0.028955 0.780744 O\n0.091956 0.500000 0.908043 O\n0.648768 0.351231 0.500001 O\n0.500000 0.908043 0.091958 O\n0.351231 0.500000 0.648769 O\n0.971044 0.369744 0.219258 O\n0.500000 0.648768 0.351233 O\n0.908043 0.091956 0.500001 O\n0.219256 0.971045 0.369746 O\n",
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"formula_full": "Er1 Al3 B4 O12",
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{
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"created_at": "2022-09-04T14:38:13.842346Z",
"updated_at": "2022-09-04T14:38:13.842376Z",
"structure_string": "Sc1 H2\n1.0\n2.924182 0.000000 1.688277\n0.974727 2.756945 1.688277\n-0.000000 -0.000000 3.376554\nSc H\n1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750001 0.749999 0.750001 H\n0.250000 0.250000 0.250000 H\n",
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{
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"created_at": "2022-09-04T14:38:26.567456Z",
"updated_at": "2022-09-04T14:38:26.567490Z",
"structure_string": "Mg4 Fe4 B4 O16\n1.0\n3.003601 -0.000000 0.000000\n0.000000 9.085249 0.000000\n-0.000000 -0.000000 9.310361\nMg Fe B O\n4 4 4 16\ndirect\n0.250000 0.607734 0.178048 Mg\n0.750000 0.392266 0.821952 Mg\n0.750000 0.892266 0.678048 Mg\n0.250000 0.107734 0.321952 Mg\n0.250000 0.613444 0.555599 Fe\n0.750000 0.386557 0.444401 Fe\n0.750000 0.886557 0.055599 Fe\n0.250000 0.113444 0.944401 Fe\n0.250000 0.169323 0.634481 B\n0.750000 0.830677 0.365519 B\n0.750000 0.330677 0.134481 B\n0.250000 0.669323 0.865518 B\n0.750000 0.477088 0.125528 O\n0.250000 0.522912 0.874472 O\n0.250000 0.505032 0.384106 O\n0.750000 0.494968 0.615894 O\n0.750000 0.994968 0.884106 O\n0.250000 0.005032 0.115894 O\n0.250000 0.241950 0.765799 O\n0.750000 0.247069 0.004856 O\n0.750000 0.258050 0.265799 O\n0.250000 0.741950 0.734201 O\n0.250000 0.252931 0.504856 O\n0.750000 0.747069 0.495144 O\n0.750000 0.977088 0.374472 O\n0.250000 0.752931 -0.004856 O\n0.750000 0.758050 0.234201 O\n0.250000 0.022912 0.625528 O\n",
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{
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"structure_string": "Mn2 Al1 B2\n1.0\n2.833516 0.000000 0.000000\n0.000000 2.800636 -0.738074\n0.000000 0.008611 5.715247\nMn Al B\n2 1 2\ndirect\n0.500001 0.356106 0.712212 Mn\n0.500001 0.643895 0.287790 Mn\n0.000000 0.000000 0.000000 Al\n0.000000 0.793622 0.587243 B\n0.000000 0.206379 0.412759 B\n",
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"structure_string": "Li2 Al2 H8\n1.0\n-2.254534 2.317550 5.207657\n2.254500 -2.317612 5.207674\n2.317086 2.255662 -5.207686\nLi Al H\n2 2 8\ndirect\n0.625077 0.875080 0.749996 Li\n0.374921 0.124920 0.250005 Li\n0.875023 0.625015 0.250004 Al\n0.124984 0.374977 0.749996 Al\n0.617594 0.289772 0.819875 H\n0.969899 0.797719 0.680126 H\n0.789798 0.470042 0.672320 H\n0.702278 0.882518 0.172322 H\n0.030100 0.202280 0.319875 H\n0.382406 0.710228 0.180127 H\n0.297718 0.117485 0.827677 H\n0.210197 0.529959 0.327679 H\n",
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{
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"structure_string": "Mn2 Al1 B2\n1.0\n0.000000 0.000000 -2.833545\n-2.896338 0.000000 0.000000\n1.448169 5.528685 0.000000\nMn Al B\n2 1 2\ndirect\n0.000000 0.856101 0.712200 Mn\n0.000000 0.143900 0.287801 Mn\n0.499999 0.500000 0.000000 Al\n0.499999 0.706380 0.412758 B\n0.499999 0.293621 0.587243 B\n",
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"structure_string": "Fe8 O14 F2\n1.0\n0.000000 5.207752 0.044892\n4.372075 0.000000 0.000000\n0.000000 -1.020160 -9.575327\nFe O F\n8 14 2\ndirect\n0.236894 0.748660 0.250834 Fe\n0.764993 0.772663 0.755270 Fe\n0.495780 0.763193 0.990813 Fe\n0.001422 0.747447 0.503272 Fe\n0.236894 0.251341 0.750835 Fe\n0.495780 0.236808 0.490813 Fe\n0.764993 0.227338 0.255269 Fe\n0.001422 0.252554 0.003272 Fe\n0.773290 0.435530 0.422638 O\n0.272363 0.447843 0.924516 O\n0.023809 0.437309 0.176787 O\n0.023809 0.562692 0.676787 O\n0.272363 0.552158 0.424516 O\n0.773290 0.564471 0.922639 O\n0.978034 0.934562 0.327509 O\n0.978034 0.065439 0.827510 O\n0.726662 0.943426 0.575642 O\n0.472688 0.951765 0.822629 O\n0.726662 0.056575 0.075642 O\n0.472687 0.048236 0.322629 O\n0.226107 0.059756 0.575621 O\n0.226107 0.940245 0.075620 O\n0.527958 0.550282 0.174471 F\n0.527958 0.449719 0.674471 F\n",
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{
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"structure_string": "Sc2 H2 O4\n1.0\n3.352871 0.000000 0.000000\n-0.000000 3.881802 1.398963\n-0.000000 -0.004454 5.577079\nSc H O\n2 2 4\ndirect\n0.250000 0.665997 0.187013 Sc\n0.750000 0.334004 0.812986 Sc\n0.750000 0.993965 0.416316 H\n0.250000 0.006035 0.583683 H\n0.250000 0.231400 0.057149 O\n0.750000 0.749663 0.437941 O\n0.250000 0.250338 0.562058 O\n0.750000 0.768600 0.942850 O\n",
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]
}