Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-6563

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-6563
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Tb', 'Al', 'Fe', 'Si']
  • Chemical System: Al-Fe-Si-Tb
  • Density: 4.60734259907161
  • Atomic Density: 0.06991996182115509
  • Unit Cell Volume: 1144.1653844810178
  • Molar Volume: 8.612906247580261
  • Full Formula: Tb4 Al36 Fe16 Si24
  • Reduced Formula: TbAl9(Fe2Si3)2
  • Formula Anonymous: AB4C6D9
  • Spacegroup Number: 137
  • Spacegroup Symbol: P4_2/nmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -449.0729201099999
  • Final energy per atom: -5.6134115013749994
  • 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.