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-49880
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Na', 'Be', 'O']
  • Chemical System: Be-Na-O
  • Density: 2.9118062492732193
  • Atomic Density: 0.10959361202122027
  • Unit Cell Volume: 127.74467180887535
  • Molar Volume: 5.494974249807509
  • Full Formula: Na4 Be4 O6
  • Reduced Formula: Na2Be2O3
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m