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-114632
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Ag', 'S']
  • Chemical System: Ag-Ba-S
  • Density: 4.6716025310970535
  • Atomic Density: 0.036379897954335334
  • Unit Cell Volume: 109.95083067634957
  • Molar Volume: 16.55348447529758
  • Full Formula: Ba1 Ag1 S2
  • Reduced Formula: BaAgS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm