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-120236
  • 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: 3
  • Number of elements: 2
  • Element list: ['H', 'S']
  • Chemical System: H-S
  • Density: 1.7625892759521449
  • Atomic Density: 0.0934356218987168
  • Unit Cell Volume: 32.10766877810229
  • Molar Volume: 6.445230028572973
  • Full Formula: H2 S1
  • Reduced Formula: H2S
  • Formula Anonymous: AB2
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm