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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-649889
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 64
  • Number of elements: 3
  • Element list: ['Br', 'C', 'La']
  • Chemical System: Br-C-La
  • Density: 5.207229748558563
  • Atomic Density: 0.03686816581086674
  • Unit Cell Volume: 1735.914944299623
  • Molar Volume: 16.334256471812328
  • Full Formula: La24 C16 Br24
  • Reduced Formula: La3C2Br3
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222