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  1. Third-Parties
  2. MatprojStructure
  3. mp-556094

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-556094
  • 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: 10
  • Number of elements: 4
  • Element list: ['Ag', 'Bi', 'S', 'Cl']
  • Chemical System: Ag-Bi-Cl-S
  • Density: 5.553841211740978
  • Atomic Density: 0.03983379235670673
  • Unit Cell Volume: 251.0431321841321
  • Molar Volume: 15.118170788441299
  • Full Formula: Ag2 Bi2 S2 Cl4
  • Reduced Formula: AgBiSCl2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -38.58724502
  • Final energy per atom: -3.858724502
  • 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.