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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229069

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-1229069
  • 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: 44
  • Number of elements: 5
  • Element list: ['Al', 'Tl', 'Fe', 'As', 'O']
  • Chemical System: Al-As-Fe-O-Tl
  • Density: 5.117145302905022
  • Atomic Density: 0.06773871208099921
  • Unit Cell Volume: 649.5547176537189
  • Molar Volume: 8.890249865983527
  • Full Formula: Al3 Tl4 Fe1 As8 O28
  • Reduced Formula: Al3Tl4Fe(As2O7)4
  • Formula Anonymous: AB3C4D8E28
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -290.01526339000003
  • Final energy per atom: -6.591255986136364
  • 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.