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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-109219
  • 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: 10
  • Number of elements: 3
  • Element list: ['Li', 'Mo', 'O']
  • Chemical System: Li-Mo-O
  • Density: 3.7907039916830807
  • Atomic Density: 0.112066965922103
  • Unit Cell Volume: 89.23236136285632
  • Molar Volume: 5.373698404743061
  • Full Formula: Li4 Mo1 O5
  • Reduced Formula: Li4MoO5
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 79
  • Spacegroup Symbol: I4
  • Crystal System: tetragonal
  • Pointgroup: 4