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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1470960
  • Created at: Sept. 4, 2022, 3:51 p.m.
  • Last updated at: Sept. 4, 2022, 3:51 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Mo', 'Te', 'Zr']
  • Chemical System: Mo-Te-Zr
  • Density: 7.535255490648361
  • Atomic Density: 0.04545493555659999
  • Unit Cell Volume: 197.998300730034
  • Molar Volume: 13.24859596930084
  • Full Formula: Zr6 Te2 Mo1
  • Reduced Formula: Zr6Te2Mo
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m