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  1. Third-Parties
  2. MatprojStructure
  3. mp-1047105

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-1047105
  • 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: 32
  • Number of elements: 4
  • Element list: ['Zn', 'Fe', 'As', 'O']
  • Chemical System: As-Fe-O-Zn
  • Density: 4.3281754872251
  • Atomic Density: 0.07550316585224923
  • Unit Cell Volume: 423.8232879217306
  • Molar Volume: 7.9760109288458425
  • Full Formula: Zn4 Fe4 As4 O20
  • Reduced Formula: ZnFeAsO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -210.38463506
  • Final energy per atom: -6.574519845625
  • 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.