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The Posner molecule, $\text{Ca}_9(\text{PO}_4)_6$, has long been recognizedto have biochemical relevance in various physiological processes. It has foundrecent attention for its possible role as a biological quantum informationprocessor, whereby the molecule purportedly maintains long-lived nuclear spincoherences among its ${^{31}\text{P}}$ nuclei (presumed to be symmetricallyarranged), allowing it to function as a room temperature qubit. The structureof the molecule has been of much dispute in the literature, although the$\text{S}_6$ point group symmetry has often been assumed and exploited incalculations. Using a variety of simulation techniques (including ab initiomolecular dynamics and structural relaxation), rigorous data analysis tools andby exploring thousands of individual configurations, we establish that themolecule predominantly assumes low symmetry structures ($\text{C}_\text{s}$ and$\text{C}_\text{i}$) at room temperature, as opposed to the higher symmetryconfigurations explored previously. Our findings have important implications onthe viability of this molecule as a qubit.

The Dynamical Ensemble of the Posner Molecule is not Symmetric