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-121054
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ga', 'P', 'S']
  • Chemical System: Ga-P-S
  • Density: 3.659619650930431
  • Atomic Density: 0.049800660238859824
  • Unit Cell Volume: 120.48033040570324
  • Molar Volume: 12.092491808574213
  • Full Formula: Ga2 P2 S2
  • Reduced Formula: GaPS
  • Formula Anonymous: ABC
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm