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  1. Third-Parties
  2. MatprojStructure
  3. mp-541916

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-541916
  • 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: 48
  • Number of elements: 4
  • Element list: ['Rb', 'Ag', 'As', 'Se']
  • Chemical System: Ag-As-Rb-Se
  • Density: 4.189968390002707
  • Atomic Density: 0.030981489050786057
  • Unit Cell Volume: 1549.3122335507032
  • Molar Volume: 19.437867399234023
  • Full Formula: Rb8 Ag4 As12 Se24
  • Reduced Formula: Rb2Ag(AsSe2)3
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -192.77900117
  • Final energy per atom: -4.016229191041666
  • 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.