Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1208191

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-1208191
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 106
  • Number of elements: 3
  • Element list: ['Tm', 'Ti', 'Al']
  • Chemical System: Al-Ti-Tm
  • Density: 4.202311723210583
  • Atomic Density: 0.0567064661835707
  • Unit Cell Volume: 1869.2753601830136
  • Molar Volume: 10.619848432284725
  • Full Formula: Tm12 Ti8 Al86
  • Reduced Formula: Tm6Ti4Al43
  • Formula Anonymous: A4B6C43
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -473.96585251
  • Final energy per atom: -4.471375967075471
  • 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.