Predicting the crystal structure of $$\hbox {N}_5\hbox {AsF}_6$$ high energy density material using ab initio evolutionary algorithms

$$\hbox {N}_5\hbox {AsF}_6$$ N 5 AsF 6 is the first successfully synthesized salt that has a polymeric nitrogen moeity ( $$\hbox {N}_5^+$$ N 5 + ). Although 12 other $$\hbox {N}_5^+$$ N 5 + salts followed, with $$\hbox {N}_5\hbox {SbF}_6$$ N 5 SbF 6 and $$\hbox {N}_5\hbox {Sb}_2\hbox {F}_{11}$$ N 5...

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Bibliographic Details
Published in:Scientific reports Vol. 11; no. 1
Main Authors: Benchafia, El Mostafa, Wang, Xianqin, Iqbal, Zafar, Abedrabbo, Sufian
Format: Journal Article
Language:English
Published: 12.04.2021
ISSN:2045-2322, 2045-2322
Online Access:Get full text
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