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-74511
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Be', 'Mo', 'Se']
  • Chemical System: Be-Mo-Se
  • Density: 6.299376050316674
  • Atomic Density: 0.061881266715039525
  • Unit Cell Volume: 48.47993842490113
  • Molar Volume: 9.73176710769624
  • Full Formula: Be1 Mo1 Se1
  • Reduced Formula: BeMoSe
  • Formula Anonymous: ABC
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1