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  1. Third-Parties
  2. MatprojStructure
  3. mp-16585

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-16585
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 3
  • Element list: ['Hg', 'B', 'O']
  • Chemical System: B-Hg-O
  • Density: 4.282655712411353
  • Atomic Density: 0.08697671370640228
  • Unit Cell Volume: 1103.743702297797
  • Molar Volume: 6.923854102292571
  • Full Formula: Hg8 B32 O56
  • Reduced Formula: HgB4O7
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -731.78582373
  • Final energy per atom: -7.6227689971874995
  • 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.