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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225708

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-1225708
  • 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: 18
  • Number of elements: 4
  • Element list: ['Er', 'S', 'O', 'F']
  • Chemical System: Er-F-O-S
  • Density: 7.758396527425395
  • Atomic Density: 0.06581598754290789
  • Unit Cell Volume: 273.489780705108
  • Molar Volume: 9.149966421264958
  • Full Formula: Er6 S4 O2 F6
  • Reduced Formula: Er3S2OF3
  • Formula Anonymous: AB2C3D3
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -130.08729376
  • Final energy per atom: -7.227071875555556
  • 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.