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-8806
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Zn', 'Ga', 'S']
  • Chemical System: Ga-S-Zn
  • Density: 3.768009247573303
  • Atomic Density: 0.04768334496254106
  • Unit Cell Volume: 146.8017817436893
  • Molar Volume: 12.629442763989932
  • Full Formula: Zn1 Ga2 S4
  • Reduced Formula: Zn(GaS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m