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-10705
  • 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: 12
  • Number of elements: 3
  • Element list: ['Hg', 'Se', 'O']
  • Chemical System: Hg-O-Se
  • Density: 6.628031766993193
  • Atomic Density: 0.06971075963222263
  • Unit Cell Volume: 172.1398542105859
  • Molar Volume: 8.638753603850224
  • Full Formula: Hg2 Se2 O8
  • Reduced Formula: HgSeO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2