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-49690
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Mn', 'Al', 'O']
  • Chemical System: Al-Mn-O
  • Density: 4.370326184771924
  • Atomic Density: 0.10128990324349052
  • Unit Cell Volume: 197.4530467456569
  • Molar Volume: 5.94545020496603
  • Full Formula: Mn4 Al4 O12
  • Reduced Formula: MnAlO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm