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-98071
  • 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: 64
  • Number of elements: 4
  • Element list: ['Zn', 'Te', 'Br', 'O']
  • Chemical System: Br-O-Te-Zn
  • Density: 4.711962016803473
  • Atomic Density: 0.04869090627345415
  • Unit Cell Volume: 1314.4138176555616
  • Molar Volume: 12.368101604391821
  • Full Formula: Zn16 Te8 Br16 O24
  • Reduced Formula: Zn2TeBr2O3
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 56
  • Spacegroup Symbol: Pccn
  • Crystal System: orthorhombic
  • Pointgroup: mmm