Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-541819

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-541819
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Rb', 'Hg', 'B', 'Se']
  • Chemical System: B-Hg-Rb-Se
  • Density: 3.6755293863119607
  • Atomic Density: 0.039409886666396075
  • Unit Cell Volume: 1065.7224253276643
  • Molar Volume: 15.280786800980438
  • Full Formula: Rb4 Hg2 B18 Se18
  • Reduced Formula: Rb2Hg(BSe)9
  • Formula Anonymous: AB2C9D9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -214.37444546
  • Final energy per atom: -5.104153463333334
  • 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.