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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224043

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-1224043
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['In', 'Ag', 'S', 'Br']
  • Chemical System: Ag-Br-In-S
  • Density: 4.95689663186892
  • Atomic Density: 0.040684696828486105
  • Unit Cell Volume: 344.1097289976032
  • Molar Volume: 14.801980177921573
  • Full Formula: In4 Ag2 S6 Br2
  • Reduced Formula: In2AgS3Br
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -56.2011222
  • Final energy per atom: -4.014365871428572
  • 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.