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-81958
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Be', 'Cu', 'Ni']
  • Chemical System: Be-Cu-Ni
  • Density: 5.359998771133271
  • Atomic Density: 0.09205133575153851
  • Unit Cell Volume: 43.454013647304905
  • Molar Volume: 6.542154669275779
  • Full Formula: Be2 Cu1 Ni1
  • Reduced Formula: Be2CuNi
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm