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-92538
  • 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', 'Cd', 'Pd']
  • Chemical System: Ca-Cd-Pd
  • Density: 5.920962462373478
  • Atomic Density: 0.04397663261291928
  • Unit Cell Volume: 113.69674536042398
  • Molar Volume: 13.693956090287005
  • Full Formula: Ca2 Cd1 Pd2
  • Reduced Formula: Ca2CdPd2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm