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{
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{
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"structure_string": "Te1 H6 O6\n1.0\n3.806852 4.437569 0.000000\n0.000000 4.437569 3.689214\n3.806852 0.000000 3.689214\nTe H O\n1 6 6\ndirect\n0.021162 0.978838 0.978837 Te\n0.144042 0.372613 0.855958 H\n0.225030 0.774970 0.434083 H\n0.544707 0.455294 0.228855 H\n0.771145 0.228856 0.455293 H\n0.627387 0.855959 0.372612 H\n0.565917 0.434084 0.774969 H\n0.272609 0.727391 0.727390 O\n0.228867 0.207937 0.771133 O\n0.269592 0.730408 0.244693 O\n0.740334 0.259667 0.259666 O\n0.792063 0.771134 0.207936 O\n0.755307 0.244694 0.730407 O\n",
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"structure_string": "Te8 H8 O24\n1.0\n12.006867 0.000000 -0.000009\n0.000000 8.116945 0.000000\n-0.000028 0.000000 4.789431\nTe H O\n8 8 24\ndirect\n0.607317 0.439722 0.979502 Te\n0.392838 0.560259 0.479501 Te\n0.892838 0.939740 0.479501 Te\n0.107317 0.060277 0.979502 Te\n0.890873 0.333140 0.855085 Te\n0.109283 0.666877 0.355087 Te\n0.609283 0.833122 0.355087 Te\n0.390872 0.166860 0.855085 Te\n0.197887 0.162229 0.417718 H\n0.802284 0.837749 0.917719 H\n0.697887 0.337771 0.417718 H\n0.302284 0.662250 0.917719 H\n0.625440 0.044740 0.992269 H\n0.125440 0.455259 0.992269 H\n0.874708 0.544752 0.492256 H\n0.374708 0.955247 0.492256 H\n0.473184 0.409501 0.224618 O\n0.308121 0.705803 0.721197 O\n0.692048 0.294202 0.221208 O\n0.047685 0.247179 0.780670 O\n0.952474 0.752845 0.280655 O\n0.452474 0.747154 0.280655 O\n0.547685 0.252821 0.780670 O\n0.973184 0.090499 0.224618 O\n0.026972 0.909523 0.724613 O\n0.526972 0.590476 0.724613 O\n0.831198 0.133887 0.676882 O\n0.230690 0.064302 0.726571 O\n0.668962 0.633879 0.176865 O\n0.331197 0.366113 0.676882 O\n0.428388 0.046765 0.514554 O\n0.571763 0.953219 0.014561 O\n0.071762 0.546780 0.014561 O\n0.928388 0.453234 0.514554 O\n0.808121 0.794197 0.721197 O\n0.769461 0.935700 0.226583 O\n0.269461 0.564299 0.226583 O\n0.730690 0.435698 0.726571 O\n0.168961 0.866120 0.176865 O\n0.192048 0.205798 0.221208 O\n",
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{
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{
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"created_at": "2022-09-04T14:37:27.659506Z",
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"structure_string": "Te1 H6 O6\n1.0\n5.308369 -0.040243 0.111075\n-2.470238 4.939631 -0.125047\n-2.472600 -1.651010 4.319922\nTe H O\n1 6 6\ndirect\n0.012944 0.981009 0.026288 Te\n0.118747 0.421143 0.869119 H\n0.625539 0.167950 0.309500 H\n0.007944 0.737145 0.603675 H\n0.614669 0.540599 0.067189 H\n0.516813 0.927153 0.570383 H\n0.173538 0.419644 0.396902 H\n0.198970 0.288164 0.873678 O\n0.475605 0.149025 0.383933 O\n0.098263 0.746033 0.820494 O\n0.862741 0.704559 0.209926 O\n0.554037 0.784125 0.662816 O\n0.948736 0.237726 0.234024 O\n",
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"created_at": "2022-09-04T14:37:29.104518Z",
"updated_at": "2022-09-04T14:37:29.104533Z",
"structure_string": "Te2 H4 O8\n1.0\n5.237916 0.000000 -2.500352\n0.000000 4.922497 0.000000\n0.212132 0.000000 5.272531\nTe H O\n2 4 8\ndirect\n0.998506 0.500566 0.523362 Te\n0.998506 0.999435 0.023362 Te\n0.388988 0.297735 0.515953 H\n0.604894 0.761900 0.742103 H\n0.604894 0.738101 0.242104 H\n0.388988 0.202265 0.015954 H\n0.338696 0.357892 0.667404 O\n0.661820 0.857014 0.923032 O\n0.661820 0.642986 0.423032 O\n0.338696 0.142108 0.167404 O\n0.880468 0.188339 0.670839 O\n0.114704 0.683367 0.879567 O\n0.114704 0.816634 0.379567 O\n0.880468 0.311662 0.170839 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Te",
"H",
"O"
],
"chemical_system": "H-O-Te",
"density": 4.640766503888942,
"density_atomic": 0.10104226416083845,
"volume": 138.5558817022834,
"volume_molar": 5.960021590978993,
"formula_full": "Te2 H4 O8",
"formula_reduced": "Te(HO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.424578823809523,
"spacegroup": 7
}
]
}