Download Simmate

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

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1450257
  • Created at: Sept. 4, 2022, 3:50 p.m.
  • Last updated at: Sept. 4, 2022, 3:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 2
  • Element list: ['Fe', 'Tl']
  • Chemical System: Fe-Tl
  • Density: 22.53524017716901
  • Atomic Density: 0.07769279588969459
  • Unit Cell Volume: 128.71206249544213
  • Molar Volume: 7.751221578574693
  • Full Formula: Tl8 Fe2
  • Reduced Formula: Tl4Fe
  • Formula Anonymous: AB4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm