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{
"id": "jvasp-12002",
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"structure_string": "Ca6 Sc2 Co2 O12\n1.0\n6.355092 0.006478 -0.267286\n-0.279036 6.348967 -0.267286\n0.006193 0.006478 6.360708\nCa Sc Co O\n6 2 2 12\ndirect\n0.749999 0.380415 0.119585 Ca\n0.119585 0.750000 0.380414 Ca\n0.380414 0.119586 0.750000 Ca\n0.619584 0.880415 0.249999 Ca\n0.880414 0.250001 0.619585 Ca\n0.249999 0.619586 0.880414 Ca\n0.250000 0.250000 0.250000 Sc\n0.749999 0.750001 0.749999 Sc\n0.499999 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.456847 0.791250 0.588060 O\n0.411939 0.543153 0.208750 O\n0.208750 0.411940 0.543152 O\n0.588060 0.456848 0.791249 O\n0.708750 0.043153 0.911939 O\n0.956847 0.088061 0.291249 O\n0.291249 0.956848 0.088060 O\n0.911939 0.708751 0.043151 O\n0.043151 0.911940 0.708750 O\n0.088060 0.291250 0.956848 O\n0.543152 0.208751 0.411939 O\n0.791249 0.588061 0.456847 O\n",
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{
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"structure_string": "K2 Na1 Tl1 F6\n1.0\n5.365972 -0.000000 3.098046\n1.788658 5.059087 3.098046\n-0.000000 -0.000000 6.196090\nK Na Tl F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750001 K\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Tl\n0.248322 0.751678 0.751678 F\n0.248322 0.751678 0.248322 F\n0.751678 0.248322 0.751679 F\n0.248322 0.248322 0.751678 F\n0.751678 0.248322 0.248323 F\n0.751678 0.751678 0.248323 F\n",
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{
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"updated_at": "2022-09-04T14:37:16.875436Z",
"structure_string": "Ca6 Sc2 Co2 O12\n1.0\n6.354998 0.006613 -0.267154\n-0.278897 6.348879 -0.267154\n0.006321 0.006613 6.360609\nCa Sc Co O\n6 2 2 12\ndirect\n0.750000 0.380405 0.119596 Ca\n0.119595 0.750000 0.380406 Ca\n0.380405 0.119595 0.750000 Ca\n0.619595 0.880405 0.250001 Ca\n0.880405 0.249999 0.619596 Ca\n0.250000 0.619595 0.880406 Ca\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750001 Sc\n0.500000 0.500000 0.500001 Co\n0.000000 0.000000 0.000000 Co\n0.456837 0.791248 0.588067 O\n0.411934 0.543162 0.208753 O\n0.208752 0.411934 0.543163 O\n0.588066 0.456837 0.791249 O\n0.708752 0.043162 0.911934 O\n0.956838 0.088066 0.291249 O\n0.291248 0.956838 0.088067 O\n0.911934 0.708752 0.043163 O\n0.043162 0.911934 0.708753 O\n0.088066 0.291248 0.956838 O\n0.543162 0.208752 0.411934 O\n0.791248 0.588066 0.456839 O\n",
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{
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"created_at": "2022-09-04T14:36:39.961372Z",
"updated_at": "2022-09-04T14:36:39.961381Z",
"structure_string": "Li4 Mn2 Cr4 O12\n1.0\n4.983046 0.024352 -0.000000\n-2.483107 4.320361 0.000000\n0.000000 0.000000 9.982974\nLi Mn Cr O\n4 2 4 12\ndirect\n0.146800 0.646800 0.750000 Li\n0.353199 0.853199 0.250000 Li\n0.646801 0.146800 0.750000 Li\n0.853200 0.353199 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.163225 0.836775 0.500000 Cr\n0.336775 0.663225 0.000000 Cr\n0.663225 0.336775 0.000000 Cr\n0.836775 0.163225 0.500000 Cr\n0.504818 0.171141 0.393300 O\n0.823200 0.823199 0.398220 O\n0.328859 0.995182 0.893300 O\n0.676800 0.676800 0.898220 O\n0.323200 0.323199 0.101780 O\n0.004818 0.671141 0.106700 O\n0.495182 0.828859 0.606699 O\n0.171141 0.504818 0.393300 O\n0.995182 0.328859 0.893300 O\n0.828859 0.495181 0.606699 O\n0.176800 0.176800 0.601779 O\n0.671141 0.004818 0.106700 O\n",
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"formula_full": "Li4 Mn2 Cr4 O12",
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{
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"created_at": "2022-09-04T14:37:29.581515Z",
"updated_at": "2022-09-04T14:37:29.581547Z",
"structure_string": "Na2 Co4 O6\n1.0\n5.016849 2.906880 0.000000\n-5.016849 2.906880 0.000000\n0.000000 0.000000 5.191404\nNa Co O\n2 4 6\ndirect\n0.323014 0.323014 0.999485 Na\n0.676986 0.676986 0.499485 Na\n0.333078 0.994015 0.518715 Co\n0.005985 0.666922 0.018715 Co\n0.994015 0.333078 0.518715 Co\n0.666922 0.005985 0.018715 Co\n0.061558 0.665257 0.382229 O\n0.334743 0.938442 0.882229 O\n0.283599 0.283599 0.459524 O\n0.716401 0.716401 0.959523 O\n0.665257 0.061558 0.382229 O\n0.938442 0.334743 0.882229 O\n",
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{
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"created_at": "2022-09-04T14:36:08.188196Z",
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"structure_string": "Ti1 Be2 V1\n1.0\n3.003135 0.000000 0.000000\n0.000000 3.003135 0.000000\n0.000000 0.000000 5.193144\nTi Be V\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Ti\n0.000000 0.000000 0.725571 Be\n0.000000 0.000000 0.274428 Be\n0.499999 0.499999 0.500000 V\n",
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},
{
"id": "jvasp-117361",
"created_at": "2022-09-04T14:38:26.551299Z",
"updated_at": "2022-09-04T14:38:26.551320Z",
"structure_string": "Ba1 As2 Xe5 F22\n1.0\n8.230018 -0.019500 5.293248\n3.436855 7.399439 3.683822\n0.071878 -0.111253 8.977070\nBa As Xe F\n1 2 5 22\ndirect\n0.000000 0.000000 0.000000 Ba\n-0.000000 0.500000 0.000000 As\n0.500000 0.000000 0.500000 As\n0.000000 0.000000 0.500000 Xe\n0.500000 0.500000 0.000000 Xe\n0.500000 0.000000 0.000000 Xe\n-0.000000 0.500000 0.500000 Xe\n0.500000 0.500000 0.500000 Xe\n0.350012 0.649988 0.350012 F\n0.649988 0.350012 0.649988 F\n0.952556 0.403163 0.228715 F\n0.047444 0.596837 0.771285 F\n0.771285 0.584435 0.047445 F\n0.228715 0.415566 0.952555 F\n0.596837 0.047445 0.584435 F\n0.692564 0.307436 0.097366 F\n0.403163 0.952556 0.415565 F\n0.307436 0.692565 0.902634 F\n0.938525 0.294920 0.705080 F\n0.902634 0.097366 0.307436 F\n0.061475 0.705080 0.294920 F\n0.415565 0.228715 0.403163 F\n0.705080 0.061475 0.938525 F\n0.294919 0.938525 0.061475 F\n0.702110 0.949262 0.297890 F\n0.297890 0.050739 0.702110 F\n0.949261 0.702111 0.050738 F\n0.050738 0.297890 0.949261 F\n0.097365 0.902635 0.692564 F\n0.584435 0.771285 0.596837 F\n",
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"structure_string": "Rb2 Mn2 As2\n1.0\n3.904315 0.000000 0.000000\n0.000000 3.904315 0.000000\n0.000000 0.000000 11.323518\nRb Mn As\n2 2 2\ndirect\n0.500001 0.000000 0.303353 Rb\n0.000000 0.500001 0.696647 Rb\n0.500001 0.500001 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500001 0.124845 As\n0.500001 0.000000 0.875155 As\n",
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{
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"structure_string": "Rb2 Mn2 As2\n1.0\n3.904319 -0.000000 0.000000\n0.000000 3.904319 0.000000\n-0.000000 0.000000 11.322968\nRb Mn As\n2 2 2\ndirect\n0.500000 0.000000 0.303367 Rb\n0.000000 0.500000 0.696633 Rb\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.124850 As\n0.500000 0.000000 0.875150 As\n",
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{
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"structure_string": "Rb4 Fe2 I8\n1.0\n0.000000 7.562748 0.073669\n8.011846 0.000000 0.000000\n0.000000 -3.399544 -9.748732\nRb Fe I\n4 2 8\ndirect\n0.800957 0.258051 0.962630 Rb\n0.702613 0.258302 0.412254 Rb\n0.297387 0.758302 0.587746 Rb\n0.199044 0.758051 0.037369 Rb\n0.198215 0.255085 0.785792 Fe\n0.801786 0.755085 0.214208 Fe\n0.367730 0.252757 0.055059 I\n0.417845 0.254163 0.637728 I\n0.973375 0.512612 0.720982 I\n0.632271 0.752757 0.944940 I\n0.030800 0.500331 0.280418 I\n0.582155 0.754164 0.362272 I\n0.026626 0.012612 0.279017 I\n0.969201 0.000331 0.719582 I\n",
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"spacegroup": 11
},
{
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"created_at": "2022-09-04T14:35:51.830830Z",
"updated_at": "2022-09-04T14:35:51.830848Z",
"structure_string": "Rb12 Ge4 O14\n1.0\n6.835628 0.000000 -0.190718\n0.000000 9.497644 0.000000\n-0.009463 0.000000 9.507740\nRb Ge O\n12 4 14\ndirect\n0.381540 0.285750 0.780718 Rb\n0.246141 0.524438 0.451245 Rb\n0.746141 0.975561 0.951245 Rb\n0.753860 0.475561 0.548755 Rb\n0.384064 0.147362 0.418654 Rb\n0.115936 0.647362 0.081347 Rb\n0.615936 0.852637 0.581346 Rb\n0.884065 0.352638 0.918653 Rb\n0.881540 0.214250 0.280718 Rb\n0.618460 0.714250 0.219282 Rb\n0.118461 0.785749 0.719282 Rb\n0.253860 0.024439 0.048755 Rb\n0.047995 0.861293 0.368870 Ge\n0.547995 0.638706 0.868870 Ge\n0.952006 0.138707 0.631130 Ge\n0.452006 0.361293 0.131130 Ge\n0.944119 0.916548 0.204852 O\n0.555882 0.416549 0.295148 O\n0.693015 0.159348 0.634748 O\n0.806987 0.659348 0.865251 O\n0.306986 0.840652 0.365251 O\n0.193014 0.340652 0.134749 O\n0.573898 0.210547 0.065608 O\n0.926103 0.710546 0.434392 O\n0.426103 0.789453 0.934392 O\n0.055882 0.083451 0.795148 O\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.500000 O\n0.444119 0.583451 0.704852 O\n0.073898 0.289453 0.565608 O\n",
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],
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}
]
}