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-114448
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ba', 'Au', 'O']
  • Chemical System: Au-Ba-O
  • Density: 6.10512353360469
  • Atomic Density: 0.03148728339671147
  • Unit Cell Volume: 95.27655854595955
  • Molar Volume: 19.125628223071644
  • Full Formula: Ba1 Au1 O1
  • Reduced Formula: BaAuO
  • Formula Anonymous: ABC
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm