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-95042
  • 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: 3
  • Element list: ['Ta', 'P', 'S']
  • Chemical System: P-S-Ta
  • Density: 8.209169446389884
  • Atomic Density: 0.06078624658386271
  • Unit Cell Volume: 98.70653868588846
  • Molar Volume: 9.907077831646761
  • Full Formula: Ta2 P2 S2
  • Reduced Formula: TaPS
  • Formula Anonymous: ABC
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm