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-5416
  • 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: 28
  • Number of elements: 3
  • Element list: ['Ge', 'S', 'I']
  • Chemical System: Ge-I-S
  • Density: 3.591079825450429
  • Atomic Density: 0.03056467314024463
  • Unit Cell Volume: 916.0902808128606
  • Molar Volume: 19.70294507115348
  • Full Formula: Ge8 S12 I8
  • Reduced Formula: Ge2S3I2
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3