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-56283
  • Created at: Sept. 4, 2022, 3:21 p.m.
  • Last updated at: Sept. 4, 2022, 3:21 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Ba', 'Ga', 'Sb']
  • Chemical System: Ba-Ga-Sb
  • Density: 5.363572096347994
  • Atomic Density: 0.027654020363496862
  • Unit Cell Volume: 1446.4442954124586
  • Molar Volume: 21.776727871182118
  • Full Formula: Ba14 Ga8 Sb18
  • Reduced Formula: Ba7Ga4Sb9
  • Formula Anonymous: A4B7C9
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm