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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21052
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Li', 'Zr', 'O']
  • Chemical System: Li-O-Zr
  • Density: 3.5289162782697234
  • Atomic Density: 0.09484800148058517
  • Unit Cell Volume: 316.2955416213047
  • Molar Volume: 6.349254244679785
  • Full Formula: Li12 Zr4 O14
  • Reduced Formula: Li6Zr2O7
  • Formula Anonymous: A2B6C7
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m