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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228809

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-1228809
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Al', 'Re', 'Si']
  • Chemical System: Al-Re-Si
  • Density: 9.703823894807714
  • Atomic Density: 0.07266151853394434
  • Unit Cell Volume: 41.28732870616417
  • Molar Volume: 8.287936835763643
  • Full Formula: Al1 Re1 Si1
  • Reduced Formula: AlReSi
  • Formula Anonymous: ABC
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -22.99103312
  • Final energy per atom: -7.663677706666667
  • 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.