REFERENCES
1. Adeleke AA, Greschner MJ, Majumdar A, et al. Single-bonded allotrope of nitrogen predicted at high pressure. Phys Rev B 2017;96:224104.
2. Laniel D, Geneste G, Weck G, Mezouar M, Loubeyre P. Hexagonal layered polymeric nitrogen phase synthesized near 250 GPa. Phys Rev Lett 2019;122:066001.
3. Hirshberg B, Gerber RB, Krylov AI. Calculations predict a stable molecular crystal of N8. Nat Chem 2014;6:52-6.
4. Wang X, Wang Y, Miao M, et al. Cagelike diamondoid nitrogen at high pressures. Phys Rev Lett 2012;109:175502.
5. Mattson WD, Sanchez-Portal D, Chiesa S, Martin RM. Prediction of new phases of nitrogen at high pressure from first-principles simulations. Phys Rev Lett 2004;93:125501.
6. Zahariev F, Dudiy SV, Hooper J, Zhang F, Woo TK. Systematic method to new phases of polymeric nitrogen under high pressure. Phys Rev Lett 2006;97:155503.
7. Kotakoski J, Albe K. First-principles calculations on solid nitrogen: a comparative study of high-pressure phases. Phys Rev B 2008;77:144109.
8. Alemany MMG, Martins JL. Density-functional study of nonmolecular phases of nitrogen: metastable phase at low pressure. Phys Rev B 2003;68:024110.
9. Wang X, Tian F, Wang L, et al. Predicted novel metallic metastable phases of polymeric nitrogen at high pressures. New J Phys 2013;15:013010.
10. Jiang S, Holtgrewe N, Lobanov SS, et al. Metallization and molecular dissociation of dense fluid nitrogen. Nat Commun 2018;9:2624.
11. Bergermann A, Redmer R. Nonmetal-to-metal transition in dense fluid nitrogen at high pressure. Phys Rev B 2023;108:085101.
12. Steele BA, Stavrou E, Crowhurst JC, Zaug JM, Prakapenka VB, Oleynik II. High-pressure synthesis of a pentazolate salt. Chem Mater 2017;29:735-41.
13. Laniel D, Winkler B, Koemets E, et al. Synthesis of magnesium-nitrogen salts of polynitrogen anions. Nat Commun 2019;10:4515.
14. Bykov M, Bykova E, Aprilis G, et al. Fe–N system at high pressure reveals a compound featuring polymeric nitrogen chains. Nat Commun 2018;9:2756.
15. Zhai H, Xu R, Dai J, et al. Stabilized Nitrogen Framework Anions in the Ga–N System. J Am Chem Soc 2022;144:21640-7.
16. Ceppatelli M, Serrano-Ruiz M, Morana M, et al. High-pressure and high-temperature synthesis of crystalline Sb3N5. Angew Chem Int Ed Engl 2024;63:e202319278.
17. Sangiovanni DG, Faccio R, Gueorguiev GK, Kakanakova-Georgieva A. Discovering atomistic pathways for supply of metal atoms from methyl-based precursors to graphene surface. Phys Chem Chem Phys 2022;25:829-37.
18. Aslandukov A, Trybel F, Aslandukova A, et al. Anionic N18 macrocycles and a polynitrogen double helix in novel yttrium polynitrides YN6 and Y2N11 at 100 GPa. Angew Chem Int Ed Engl 2022;61:e202207469.
19. Bykov M, Chariton S, Fei H, et al. High-pressure synthesis of ultraincompressible hard rhenium nitride pernitride Re2N(2)(N)2 stable at ambient conditions. Nat Commun 2019;10:2994.
20. Bykov M, Bykova E, Ponomareva AV, et al. Stabilization of polynitrogen anions in tantalum-nitrogen compounds at high pressure. Angew Chem Int Ed Engl 2021;60:9003-8.
21. Bykov M, Chariton S, Bykova E, et al. High-pressure synthesis of metal-inorganic frameworks Hf4N20·N2, WN8·N2, and Os5N28·3N2 with polymeric nitrogen linkers. Angew Chem Int Ed Engl 2020;59:10321-6.
22. Laniel D, Winkler B, Fedotenko T, et al. High-pressure Na3(N2)4, Ca3(N2)4, Sr3(N2)4, and Ba(N2)3 featuring nitrogen dimers with noninteger charges and anion-driven metallicity. Phys Rev Mater 2022;6:023402.
23. Yu S, Huang B, Zeng Q, Oganov AR, Zhang L, Frapper G. Emergence of novel polynitrogen molecule-like species, covalent chains, and layers in magnesium–nitrogen MgxNy phases under high pressure. J Phys Chem C 2017;121:11037-46.
24. Schneider SB, Frankovsky R, Schnick W. Synthesis of alkaline earth diazenides MAEN2 (MAE = Ca, Sr, Ba) by controlled thermal decomposition of azides under high pressure. Inorg Chem 2012;51:2366-73.
25. Zhang M, Yan H, Wei Q, Wang H, Wu Z. Novel high-pressure phase with pseudo-benzene “N6” molecule of LiN3. EPL 2013;101:26004.
26. Wang X, Li J, Xu N, Zhu H, Hu Z, Chen L. Layered polymeric nitrogen in RbN3 at high pressures. Sci Rep 2015;5:16677.
27. Huang B, Frapper G. Barium–nitrogen phases under pressure: emergence of structural diversity and nitrogen-rich compounds. Chem Mater 2018;30:7623-36.
28. Zhang J, Zeng Z, Lin HQ, Li YL. Pressure-induced planar N6 rings in potassium azide. Sci Rep 2014;4:4358.
29. Wang Y, Bykov M, Chepkasov I, et al. Stabilization of hexazine rings in potassium polynitride at high pressure. Nat Chem 2022;14:794-800.
30. Laniel D, Trybel F, Yin Y, et al. Aromatic hexazine [N6]4- anion featured in the complex structure of the high-pressure potassium nitrogen compound K9N56. Nat Chem 2023;15:641-6.
31. Raza Z, Errea I, Oganov AR, Saitta AM. Novel superconducting skutterudite-type phosphorus nitride at high pressure from first-principles calculations. Sci Rep 2014;4:5889.
32. Li D, Tian F, Lv Y, et al. Stability of sulfur nitrides: a first-principles study. J Phys Chem C 2017;121:1515-20.
33. Wang W, Wang H, Liu Y, et al. High-pressure bonding mechanism of selenium nitrides. Inorg Chem 2019;58:2397-402.
34. Wang L, Sun R, Liu W, et al. Novel superhard boron-rich nitrides under pressure. Sci China Mater 2020;63:2358-64.
35. Dong X, Oganov AR, Cui H, Zhou XF, Wang HT. Electronegativity and chemical hardness of elements under pressure. Proc Natl Acad Sci U S A 2022;119:e2117416119.
36. Peng F, Wang Y, Wang H, Zhang Y, Ma Y. Stable xenon nitride at high pressures. Phys Rev B 2015;92:094104.
37. Zhao Y, Gao J, Zhang X, Ding S, Liu Y, Yang G. Superconducting Li11Sb2 electride at ambient pressure. J Mater Chem C 2023;11:17087-92.
38. Gao Y, Cui T, Li D. Unexpected d−p orbital covalent interaction between the non-d-block main-group metal tellurium and fluorine at high pressure. Fund Res 2023;In Press.
39. Luo D, Lv J, Peng F, et al. A hypervalent and cubically coordinated molecular phase of IF8 predicted at high pressure. Chem Sci 2019;10:2543-50.
40. Gonze X, Lee C. Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory. Phys Rev B 1997;55:10355-68.
41. Kohn W, Sham LJ. Self-consistent equations including exchange and correlation effects. Phys Rev 1965;140:A1133.
42. Perdew JP, Wang Y. Accurate and simple analytic representation of the electron-gas correlation energy. Phys Rev B Condens Matter 1992;45:13244-9.
43. Perdew JP, Burke K, Ernzerhof M. Generalized gradient approximation made simple. Phys Rev Lett 1996;77:3865-8.
44. Kresse G, Joubert D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys Rev B 1999;59:1758-75.
45. Momma K, Izumi F. VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data. J Appl Crystallogr 2011;44:1272-6.
46. Kresse G, Furthmüller J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys Rev B Condens Matter 1996;54:11169-86.
47. Kutzelnigg W. Chemical bonding in higher main group elements. Angew Chem Int Ed Engl 1984;23:272-95.
48. Kawamura M. FermiSurfer: Fermi-surface viewer providing multiple representation schemes. Comput Phys Commun 2019;239:197-203.
49. Giannozzi P, Baroni S, Bonini N, et al. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. J Phys Condens Matter 2009;21:395502.
51. Liu Z, Li D, Zhuang Q, et al. Formation mechanism of insensitive tellurium hexanitride with armchair-like cyclo-N6 anions. Commun Chem 2020;3:42.
52. Liu Y, Wang R, Wang Z, Li D, Cui T. Formation of twelve-fold iodine coordination at high pressure. Nat Commun 2022;13:412.
55. Bader RFW. Atoms in molecules: a quantum theory. Oxford: Clarendon; 1990. Available from: https://global.oup.com/academic/product/atoms-in-molecules-9780198558651?cc=us&lang=en&. [Last accessed on 21 Mar 2024].
56. Jahn HA, Teller E. Stability of polyatomic molecules in degenerate electronic states - I - Orbital degeneracy. Proc R Soc Lond A 1937;161:220-35.
57. Weger M, Englman R. A dynamic Jahn-Teller theory for high-Tc superconductivity. Physica A 1990;168:324-37.
58. Wang H, Tse JS, Tanaka K, Iitaka T, Ma Y. Superconductive sodalite-like clathrate calcium hydride at high pressures. Proc Natl Acad Sci U S A 2012;109:6463-6.
59. Ma Y, Tse JS, Cui T, et al. First-principles study of electron-phonon coupling in hole- and electron-doped diamonds in the virtual crystal approximation. Phys Rev B 2005;72:014306.
60. Allen PB, Dynes RC. Transition temperature of strong-coupled superconductors reanalyzed. Phys Rev B 1975;12:905-22.
61. Mcmillan WL. Transition temperature of strong-coupled superconductors. Phys Rev 1968;167:331-44.