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-68812
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Mn', 'Be', 'Zn']
  • Chemical System: Be-Mn-Zn
  • Density: 5.31752182448977
  • Atomic Density: 0.08282798453436176
  • Unit Cell Volume: 60.36607105809409
  • Molar Volume: 7.270659540800096
  • Full Formula: Mn2 Be2 Zn1
  • Reduced Formula: Mn2Be2Zn
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm