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-67349
  • 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: 4
  • Number of elements: 3
  • Element list: ['Be', 'Nb', 'Bi']
  • Chemical System: Be-Bi-Nb
  • Density: 7.9615992091843815
  • Atomic Density: 0.059948985245705716
  • Unit Cell Volume: 66.72339796254565
  • Molar Volume: 10.045442362898678
  • Full Formula: Be2 Nb1 Bi1
  • Reduced Formula: Be2NbBi
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm