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  1. Third-Parties
  2. MatprojStructure
  3. mp-17918

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-17918
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Ba', 'Sn', 'S', 'F']
  • Chemical System: Ba-F-S-Sn
  • Density: 4.4056796815465145
  • Atomic Density: 0.04023327636325505
  • Unit Cell Volume: 795.3615239057567
  • Molar Volume: 14.968059537651788
  • Full Formula: Ba8 Sn4 S12 F8
  • Reduced Formula: Ba2SnS3F2
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -175.75274839
  • Final energy per atom: -5.4922733871875
  • 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.