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-71044
  • 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: 4
  • Number of elements: 3
  • Element list: ['Be', 'Nb', 'Cu']
  • Chemical System: Be-Cu-Nb
  • Density: 6.0021573503684245
  • Atomic Density: 0.08286682938117763
  • Unit Cell Volume: 48.27021897507955
  • Molar Volume: 7.2672513295988
  • Full Formula: Be2 Nb1 Cu1
  • Reduced Formula: Be2NbCu
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm