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-71193
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ca', 'Be', 'Cd']
  • Chemical System: Be-Ca-Cd
  • Density: 4.10727099830625
  • Atomic Density: 0.045946222424205596
  • Unit Cell Volume: 65.2937247441593
  • Molar Volume: 13.106933371800745
  • Full Formula: Ca1 Be1 Cd1
  • Reduced Formula: CaBeCd
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2