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  1. Third-Parties
  2. MatprojStructure
  3. mp-581457

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-581457
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 2
  • Element list: ['Rb', 'Hg']
  • Chemical System: Hg-Rb
  • Density: 5.394322517309715
  • Atomic Density: 0.022421375846955444
  • Unit Cell Volume: 2765.2183533785624
  • Molar Volume: 26.858926058356655
  • Full Formula: Rb30 Hg32
  • Reduced Formula: Rb15Hg16
  • Formula Anonymous: A15B16
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -53.01478373
  • Final energy per atom: -0.8550771569354838
  • 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.