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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-692353
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Ac', 'B', 'O']
  • Chemical System: Ac-B-O
  • Density: 5.4732228714698925
  • Atomic Density: 0.053389942926376124
  • Unit Cell Volume: 168.57107362730946
  • Molar Volume: 11.279541482755349
  • Full Formula: Ac2 B2 O5
  • Reduced Formula: Ac2B2O5
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm