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  1. Third-Parties
  2. MatprojStructure
  3. mp-2197

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-2197
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 2
  • Number of elements: 2
  • Element list: ['Ba', 'Hg']
  • Chemical System: Ba-Hg
  • Density: 7.458274923604161
  • Atomic Density: 0.02658332160397026
  • Unit Cell Volume: 75.23514291386735
  • Molar Volume: 22.653831036301288
  • Full Formula: Ba1 Hg1
  • Reduced Formula: BaHg
  • Formula Anonymous: AB
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -3.28871749
  • Final energy per atom: -1.644358745
  • 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.