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<p>Recently, Gazzarrini et al. observed a ‘rule of four’, where the number of atoms in a primitive unit cell for inorganic materials taken from large databases has been observed to favour multiples of four<sup><CitationRef CitationID="CR1">1</CitationRef></sup>. The number of atoms in a primitive cell is given by the product of the number of atoms in a formula unit (n<sub>F</sub>) and the number of formula units per primitive cell (Z). Here it is shown the rule of four can be explained by taking into account the most probable values of n<sub>F</sub> and Z in inorganic materials datasets.</p>

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A possible explanation for the Rule of Four in Inorganic Materials

  • 期刊论文

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  • 发表日期：

    2026年1月21日

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  • Robert G. Palgrave

摘要

Recently, Gazzarrini et al. observed a ‘rule of four’, where the number of atoms in a primitive unit cell for inorganic materials taken from large databases has been observed to favour multiples of four1. The number of atoms in a primitive cell is given by the product of the number of atoms in a formula unit (nF) and the number of formula units per primitive cell (Z). Here it is shown the rule of four can be explained by taking into account the most probable values of nF and Z in inorganic materials datasets.