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-62267
  • 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: 28
  • Number of elements: 4
  • Element list: ['Tl', 'Zn', 'As', 'O']
  • Chemical System: As-O-Tl-Zn
  • Density: 5.899314647918037
  • Atomic Density: 0.060846225874972015
  • Unit Cell Volume: 460.17644640005994
  • Molar Volume: 9.897311909491986
  • Full Formula: Tl4 Zn4 As4 O16
  • Reduced Formula: TlZnAsO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2