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  1. Third-Parties
  2. MatprojStructure
  3. mp-988939

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-988939
  • 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: 2
  • Number of elements: 2
  • Element list: ['Al', 'As']
  • Chemical System: Al-As
  • Density: 4.263957747543094
  • Atomic Density: 0.05039717934511366
  • Unit Cell Volume: 39.68476065504077
  • Molar Volume: 11.949360734578265
  • Full Formula: Al1 As1
  • Reduced Formula: AlAs
  • Formula Anonymous: AB
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -8.12443707
  • Final energy per atom: -4.062218535
  • 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.