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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1729482
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['H', 'La', 'Ti']
  • Chemical System: H-La-Ti
  • Density: 5.164979519910994
  • Atomic Density: 0.08438845847206948
  • Unit Cell Volume: 106.64965521296706
  • Molar Volume: 7.136213729977282
  • Full Formula: La2 Ti1 H6
  • Reduced Formula: La2TiH6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m