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-68749
  • 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: 5
  • Number of elements: 3
  • Element list: ['Be', 'Ni', 'Ge']
  • Chemical System: Be-Ge-Ni
  • Density: 5.908148771880467
  • Atomic Density: 0.08550710042550133
  • Unit Cell Volume: 58.47467608092132
  • Molar Volume: 7.042854605094267
  • Full Formula: Be2 Ni2 Ge1
  • Reduced Formula: Be2Ni2Ge
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm