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-117110
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ca', 'Cd', 'Pt']
  • Chemical System: Ca-Cd-Pt
  • Density: 8.600644357434703
  • Atomic Density: 0.04470510450904173
  • Unit Cell Volume: 268.42572300827453
  • Molar Volume: 13.470812396338333
  • Full Formula: Ca4 Cd4 Pt4
  • Reduced Formula: CaCdPt
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm