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-28814
  • 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: 4
  • Element list: ['Te', 'Mo', 'W', 'Se']
  • Chemical System: Mo-Se-Te-W
  • Density: 6.198729257250915
  • Atomic Density: 0.03476511358755371
  • Unit Cell Volume: 345.17361693005176
  • Molar Volume: 17.322367564925756
  • Full Formula: Te2 Mo2 W2 Se6
  • Reduced Formula: TeMoWSe3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1