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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-66482
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ba', 'Ti', 'Zn']
  • Chemical System: Ba-Ti-Zn
  • Density: 4.3548839762147065
  • Atomic Density: 0.031395144081231875
  • Unit Cell Volume: 95.55617875929451
  • Molar Volume: 19.18175863253979
  • Full Formula: Ba1 Ti1 Zn1
  • Reduced Formula: BaTiZn
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m