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  1. Third-Parties
  2. MatprojStructure
  3. mp-867851

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-867851
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Rb', 'Tl', 'Au']
  • Chemical System: Au-Rb-Tl
  • Density: 8.499877049223363
  • Atomic Density: 0.03178625769363133
  • Unit Cell Volume: 377.5216357855272
  • Molar Volume: 18.94573692204915
  • Full Formula: Rb4 Tl2 Au6
  • Reduced Formula: Rb2TlAu3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -31.61466537
  • Final energy per atom: -2.6345554475
  • 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.