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-17383
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Ge', 'Rh']
  • Chemical System: Ca-Ge-Rh
  • Density: 7.12801902760857
  • Atomic Density: 0.05486878298005648
  • Unit Cell Volume: 91.12649722552409
  • Molar Volume: 10.975531865157109
  • Full Formula: Ca1 Ge2 Rh2
  • Reduced Formula: Ca(GeRh)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm