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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225899

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-1225899
  • 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: 28
  • Number of elements: 3
  • Element list: ['Fe', 'As', 'O']
  • Chemical System: As-Fe-O
  • Density: 2.379363911754774
  • Atomic Density: 0.0511658879998156
  • Unit Cell Volume: 547.2395983843945
  • Molar Volume: 11.769835324702475
  • Full Formula: Fe4 As3 O21
  • Reduced Formula: Fe4(AsO7)3
  • Formula Anonymous: A3B4C21
  • Spacegroup Number: 35
  • Spacegroup Symbol: Cmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -173.48059253
  • Final energy per atom: -6.1957354475
  • 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.