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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203440

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-1203440
  • 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: 5
  • Element list: ['Li', 'Zn', 'S', 'O', 'F']
  • Chemical System: F-Li-O-S-Zn
  • Density: 3.4056319934673103
  • Atomic Density: 0.08754745409102888
  • Unit Cell Volume: 365.516054490031
  • Molar Volume: 6.87871603180874
  • Full Formula: Li4 Zn4 S4 O16 F4
  • Reduced Formula: LiZnSO4F
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -186.47823245
  • Final energy per atom: -5.8274447640625
  • 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.