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-25578
  • 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: 24
  • Number of elements: 3
  • Element list: ['Hg', 'Se', 'O']
  • Chemical System: Hg-O-Se
  • Density: 6.968568326230552
  • Atomic Density: 0.04767581595583176
  • Unit Cell Volume: 503.39987934835324
  • Molar Volume: 12.631437216678334
  • Full Formula: Hg8 Se4 O12
  • Reduced Formula: Hg2SeO3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm