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-26380
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Lu', 'Bi', 'Cl', 'O']
  • Chemical System: Bi-Cl-Lu-O
  • Density: 8.699784846732738
  • Atomic Density: 0.060534908595467334
  • Unit Cell Volume: 132.15515122788202
  • Molar Volume: 9.948211535667404
  • Full Formula: Lu1 Bi2 Cl1 O4
  • Reduced Formula: LuBi2ClO4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm