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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192675

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1192675
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Hg', 'Br', 'N']
  • Chemical System: Br-Hg-N
  • Density: 2.905636676701354
  • Atomic Density: 0.026150681290517144
  • Unit Cell Volume: 841.2782732348056
  • Molar Volume: 23.028618998862456
  • Full Formula: Hg2 Br12 N8
  • Reduced Formula: Hg(Br3N2)2
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 128
  • Spacegroup Symbol: P4/mnc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -89.14491992
  • Final energy per atom: -4.052041814545455
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.