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  1. Third-Parties
  2. MatprojStructure
  3. mp-567301

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-567301
  • 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: 72
  • Number of elements: 4
  • Element list: ['Yb', 'Hg', 'As', 'Br']
  • Chemical System: As-Br-Hg-Yb
  • Density: 7.280481817679814
  • Atomic Density: 0.03530128514336596
  • Unit Cell Volume: 2039.5858028282205
  • Molar Volume: 17.05926777323493
  • Full Formula: Yb4 Hg24 As16 Br28
  • Reduced Formula: YbHg6As4Br7
  • Formula Anonymous: AB4C6D7
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -185.19870645
  • Final energy per atom: -2.57220425625
  • 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.