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  1. Third-Parties
  2. MatprojStructure
  3. mp-555942

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-555942
  • 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: 68
  • Number of elements: 5
  • Element list: ['Er', 'Si', 'Se', 'O', 'F']
  • Chemical System: Er-F-O-Se-Si
  • Density: 6.085296652105034
  • Atomic Density: 0.07187456847284936
  • Unit Cell Volume: 946.0926367257011
  • Molar Volume: 8.378680927002526
  • Full Formula: Er12 Si4 Se8 O40 F4
  • Reduced Formula: Er3SiSe2O10F
  • Formula Anonymous: ABC2D3E10
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -518.10525418
  • Final energy per atom: -7.619194914411764
  • 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.