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-117611
  • 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', 'Y', 'O']
  • Chemical System: Ba-O-Y
  • Density: 5.655486057435519
  • Atomic Density: 0.04218034524618077
  • Unit Cell Volume: 71.12317318625162
  • Molar Volume: 14.277125340848832
  • Full Formula: Ba1 Y1 O1
  • Reduced Formula: BaYO
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2