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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204931

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-1204931
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 4
  • Element list: ['Fe', 'Cu', 'As', 'O']
  • Chemical System: As-Cu-Fe-O
  • Density: 3.754836336516309
  • Atomic Density: 0.06585742015187546
  • Unit Cell Volume: 1032.5336134209856
  • Molar Volume: 9.144209940371471
  • Full Formula: Fe4 Cu8 As12 O44
  • Reduced Formula: FeCu2As3O11
  • Formula Anonymous: AB2C3D11
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -416.6305725
  • Final energy per atom: -6.12692018382353
  • 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.