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  1. Third-Parties
  2. MatprojStructure
  3. mp-29100

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-29100
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 3
  • Element list: ['Fe', 'Se', 'O']
  • Chemical System: Fe-O-Se
  • Density: 4.142086097652495
  • Atomic Density: 0.07190312118315517
  • Unit Cell Volume: 1223.8689858238847
  • Molar Volume: 8.375353755033954
  • Full Formula: Fe16 Se16 O56
  • Reduced Formula: Fe2Se2O7
  • Formula Anonymous: A2B2C7
  • Spacegroup Number: 56
  • Spacegroup Symbol: Pccn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -550.2935529
  • Final energy per atom: -6.253335828409091
  • 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.