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-92798
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Cu', 'Ge']
  • Chemical System: Ca-Cu-Ge
  • Density: 5.862604558443993
  • Atomic Density: 0.05649772744978105
  • Unit Cell Volume: 88.49913484474811
  • Molar Volume: 10.65908494346588
  • Full Formula: Ca1 Cu2 Ge2
  • Reduced Formula: Ca(CuGe)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm