Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1228467

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-1228467
  • 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: 12
  • Number of elements: 3
  • Element list: ['Al', 'Fe', 'Si']
  • Chemical System: Al-Fe-Si
  • Density: 3.6745948204295598
  • Atomic Density: 0.06880863380487102
  • Unit Cell Volume: 174.39671937143603
  • Molar Volume: 8.752013267808389
  • Full Formula: Al6 Fe2 Si4
  • Reduced Formula: Al3FeSi2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 108
  • Spacegroup Symbol: I4cm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -63.620790490000005
  • Final energy per atom: -5.301732540833334
  • 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.