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: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-111355
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Mn', 'Fe', 'B']
  • Chemical System: B-Fe-Mn
  • Density: 7.654217688100499
  • Atomic Density: 0.11372623472149238
  • Unit Cell Volume: 52.75827529763543
  • Molar Volume: 5.295296001619857
  • Full Formula: Mn2 Fe2 B2
  • Reduced Formula: MnFeB
  • Formula Anonymous: ABC
  • Spacegroup Number: 69
  • Spacegroup Symbol: Fmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm