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  1. Third-Parties
  2. MatprojStructure
  3. mp-30284

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-30284
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Hg', 'As', 'O']
  • Chemical System: As-Hg-O
  • Density: 6.488267456776306
  • Atomic Density: 0.06038960786773232
  • Unit Cell Volume: 165.5914047645812
  • Molar Volume: 9.972147481384424
  • Full Formula: Hg2 As2 O6
  • Reduced Formula: HgAsO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -53.26915276999999
  • Final energy per atom: -5.3269152769999994
  • 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.