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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219674

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-1219674
  • 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: 54
  • Number of elements: 3
  • Element list: ['Rb', 'Hg', 'Ge']
  • Chemical System: Ge-Hg-Rb
  • Density: 5.3146144319006074
  • Atomic Density: 0.03919883272064492
  • Unit Cell Volume: 1377.5920417028062
  • Molar Volume: 15.36306145368535
  • Full Formula: Rb8 Hg3 Ge43
  • Reduced Formula: Rb8Hg3Ge43
  • Formula Anonymous: A3B8C43
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -208.58638865
  • Final energy per atom: -3.862710900925926
  • 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.