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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194809

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-1194809
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 82
  • Number of elements: 4
  • Element list: ['Rb', 'Cu', 'As', 'S']
  • Chemical System: As-Cu-Rb-S
  • Density: 3.4093477585446545
  • Atomic Density: 0.037024311932300435
  • Unit Cell Volume: 2214.7609427540033
  • Molar Volume: 16.265368471969403
  • Full Formula: Rb16 Cu12 As16 S38
  • Reduced Formula: Rb8Cu6As8S19
  • Formula Anonymous: A6B8C8D19
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -362.80939625
  • Final energy per atom: -4.424504832317074
  • 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.