# Study on the formation and the decomposition of AgN3 and a hypothetical compound ReN3 by using density functional calculations

Source: [Study on the formation and the decomposition of AgN3 and a hypothetical compound ReN3 by using density functional calculations](<https://www.sota2.com/research/paper/68fa2bc41e209131ce849c22>)

Collection index: [llms.txt](<https://www.sota2.com/research/llms.txt>)

Data updated: 2025-10-24T14:34:18.927Z

Authors: G. Soto

Published: 2012-11-07T22:00:05.000Z

## Abstract

We present a comparative study between ReN3 and AgN3 by using density functional theory. The ReN3 is a hypothetical compound proposed by us to interpret the Re to Re interplanar spacing of thin films grown by sputtering. Both, the AgN3 as the ReN3, are calculated as positive enthalpy compounds. The enthalpy might give a clue about the spontaneous decomposition of the solid form, but it cannot be interpreted as a restriction of its synthesizability. As from the calculated total-energy, we discuss the route for the formation of AgN3 starting from atomic species in aqueous solution. We propose that their synthesizability is conditioned by the energy of free nitrogen atoms, and the kinetics of reaction. We conclude that the intrinsic stability of a certain atomic arrangement depends only of the equilibrium of atomic forces, and not from the energy value associated with that structure.

## Recorded benchmark results

A research result applies to its stated dataset, split, metric and evaluation configuration. Compare like-for-like settings, preserve the metric's unit and direction, and distinguish paper-reported results from independent reproduction. The best result recorded here is not a claim of exhaustive, current global coverage.

## Original sources and implementation

[Original paper](<https://arxiv.org/abs/1211.1704>)

[PDF](<https://arxiv.org/pdf/1211.1704.pdf>)