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-65298
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['K', 'Zr', 'Be']
  • Chemical System: Be-K-Zr
  • Density: 1.7002902574878542
  • Atomic Density: 0.023939707574841172
  • Unit Cell Volume: 250.62962783662186
  • Molar Volume: 25.155448290975855
  • Full Formula: K4 Zr1 Be1
  • Reduced Formula: K4ZrBe
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m