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-18375
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ce', 'H', 'Se']
  • Chemical System: Ce-H-Se
  • Density: 6.642805921722223
  • Atomic Density: 0.054529983854065774
  • Unit Cell Volume: 110.03120807916099
  • Molar Volume: 11.043723717425944
  • Full Formula: Ce2 H2 Se2
  • Reduced Formula: CeHSe
  • Formula Anonymous: ABC
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm