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-21045
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Zn', 'Se', 'O']
  • Chemical System: O-Se-Zn
  • Density: 4.685143240183414
  • Atomic Density: 0.0733352465568386
  • Unit Cell Volume: 545.4403152377478
  • Molar Volume: 8.211795886351224
  • Full Formula: Zn8 Se8 O24
  • Reduced Formula: ZnSeO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm