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-109415
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ba', 'Zn', 'In']
  • Chemical System: Ba-In-Zn
  • Density: 6.449821947688571
  • Atomic Density: 0.03549200063902922
  • Unit Cell Volume: 140.87681477447308
  • Molar Volume: 16.96760016784649
  • Full Formula: Ba1 Zn1 In3
  • Reduced Formula: BaZnIn3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm