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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203885

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-1203885
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['In', 'Hg', 'Sb', 'Br']
  • Chemical System: Br-Hg-In-Sb
  • Density: 6.563186402367279
  • Atomic Density: 0.030085505996508097
  • Unit Cell Volume: 2393.1789616021997
  • Molar Volume: 20.01675079255428
  • Full Formula: In4 Hg24 Sb16 Br28
  • Reduced Formula: InHg6Sb4Br7
  • Formula Anonymous: AB4C6D7
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -176.63904673
  • Final energy per atom: -2.453320093472222
  • 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.