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-50224
  • 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: 14
  • Number of elements: 3
  • Element list: ['Y', 'Hg', 'O']
  • Chemical System: Hg-O-Y
  • Density: 6.517411342085304
  • Atomic Density: 0.062102580077534546
  • Unit Cell Volume: 225.4334680221195
  • Molar Volume: 9.697086260315446
  • Full Formula: Y4 Hg2 O8
  • Reduced Formula: Y2HgO4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m