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-109125
  • 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: 4
  • Element list: ['Zn', 'Ga', 'P', 'S']
  • Chemical System: Ga-P-S-Zn
  • Density: 4.013382208120578
  • Atomic Density: 0.0487844974615056
  • Unit Cell Volume: 81.99326032119694
  • Molar Volume: 12.34437387563927
  • Full Formula: Zn1 Ga1 P1 S1
  • Reduced Formula: ZnGaPS
  • Formula Anonymous: ABCD
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m