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  1. Third-Parties
  2. MatprojStructure
  3. mp-568804

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-568804
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 4
  • Element list: ['Hg', 'Bi', 'As', 'Br']
  • Chemical System: As-Bi-Br-Hg
  • Density: 6.276933992880889
  • Atomic Density: 0.029312830643263933
  • Unit Cell Volume: 3684.3934082776245
  • Molar Volume: 20.544384925800003
  • Full Formula: Hg36 Bi8 As16 Br48
  • Reduced Formula: Hg9Bi2(AsBr3)4
  • Formula Anonymous: A2B4C9D12
  • Spacegroup Number: 78
  • Spacegroup Symbol: P4_3
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -266.89304893
  • Final energy per atom: -2.471231934537037
  • 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.