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  1. Third-Parties
  2. MatprojStructure
  3. mp-571558

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-571558
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 2
  • Element list: ['Hg', 'Br']
  • Chemical System: Br-Hg
  • Density: 5.884107450475566
  • Atomic Density: 0.02949649276020467
  • Unit Cell Volume: 305.1210214436881
  • Molar Volume: 20.41646377743187
  • Full Formula: Hg3 Br6
  • Reduced Formula: HgBr2
  • Formula Anonymous: AB2
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -17.81825141
  • Final energy per atom: -1.9798057122222221
  • 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.