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  1. Third-Parties
  2. MatprojStructure
  3. mp-1265553

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-1265553
  • 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: 112
  • Number of elements: 3
  • Element list: ['Al', 'Fe', 'O']
  • Chemical System: Al-Fe-O
  • Density: 4.032237683433074
  • Atomic Density: 0.09301358468399602
  • Unit Cell Volume: 1204.1251864500045
  • Molar Volume: 6.474474433449261
  • Full Formula: Al16 Fe24 O72
  • Reduced Formula: Al2(FeO3)3
  • Formula Anonymous: A2B3C9
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -837.9702724900001
  • Final energy per atom: -7.481877432946429
  • 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.