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  1. Third-Parties
  2. MatprojStructure
  3. mp-25260

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-25260
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Fe', 'As', 'O']
  • Chemical System: As-Fe-O
  • Density: 3.9979306741669713
  • Atomic Density: 0.07578631998109878
  • Unit Cell Volume: 131.9499350607605
  • Molar Volume: 7.94621082208759
  • Full Formula: Fe1 As2 O7
  • Reduced Formula: FeAs2O7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -67.08211097
  • Final energy per atom: -6.708211097
  • 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.