Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Pentazole and Ammonium Pentazolate: Crystalline Hydro-Nitrogens at High
  Pressure   Two new crystalline compounds, pentazole (N_{5}H) and ammonium pentazolate
(NH_{4})(N_{5}), both featuring cyclo-{\rm N_{5}^{-}} are discovered using
first principles evolutionary search of the nitrogen-rich portion of the
hydro-nitrogen binary phase diagram (N_{x}H_{y}, x\geqy) at high pressures.
Both crystals consist of the pentazolate N_{5}^{-} anion and ammonium
NH_{4}^{+} or hydrogen H^{+} cations. These two crystals are predicted to be
thermodynamically stable at pressures above 30 GPa for (NH_{4})(N_{5}) and 50
GPa for pentazole N_{5}H. The chemical transformation of ammonium azide
(NH_{4})(N_{3}) mixed with di-nitrogen (N_{2}) to ammonium pentazolate
(NH_{4})(N_{5}) is predicted to become energetically favorable above 12.5 GPa.
To assist in identification of newly synthesized compounds in future
experiments, the Raman spectra of both crystals are calculated and mode
assignments are made as a function of pressure up to 75 GPa.

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The categories of this paper are: mtrl-th
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The categories of this paper are: hep-ph
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The categories of this paper are: q-alg
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The categories of this paper are: cs
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The categories of this paper are: hep-lat
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The categories of this paper are: adap-org
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The categories of this paper are: comp-gas
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The categories of this paper are: atom-ph
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The categories of this paper are: hep-ex
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The categories of this paper are: gr-qc
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The categories of this paper are: patt-sol
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The categories of this paper are: solv-int
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The categories of this paper are: dg-ga
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The categories of this paper are: eess
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The categories of this paper are: bayes-an
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The categories of this paper are: acc-phys