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-93516
  • 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: 6
  • Number of elements: 4
  • Element list: ['Mo', 'W', 'Se', 'S']
  • Chemical System: Mo-S-Se-W
  • Density: 6.985139214750719
  • Atomic Density: 0.05029451199883822
  • Unit Cell Volume: 119.29731021425553
  • Molar Volume: 11.973753239993876
  • Full Formula: Mo1 W1 Se2 S2
  • Reduced Formula: MoW(SeS)2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2