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-86174
  • 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: 13
  • Number of elements: 2
  • Element list: ['Be', 'Nb']
  • Chemical System: Be-Nb
  • Density: 2.9502778343051395
  • Atomic Density: 0.11488082751863546
  • Unit Cell Volume: 113.16074475430808
  • Molar Volume: 5.242076410899038
  • Full Formula: Be12 Nb1
  • Reduced Formula: Be12Nb
  • Formula Anonymous: AB12
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm