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  1. Third-Parties
  2. MatprojStructure
  3. mp-29090

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-29090
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Rb', 'Au', 'S']
  • Chemical System: Au-Rb-S
  • Density: 6.042612372334427
  • Atomic Density: 0.03241350093880725
  • Unit Cell Volume: 925.5402573340149
  • Molar Volume: 18.579112362373532
  • Full Formula: Rb8 Au12 S10
  • Reduced Formula: Rb4Au6S5
  • Formula Anonymous: A4B5C6
  • Spacegroup Number: 190
  • Spacegroup Symbol: P-62c
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -113.031297
  • Final energy per atom: -3.7677099
  • 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.