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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-54568
  • 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: 28
  • Number of elements: 4
  • Element list: ['Li', 'Tl', 'Mo', 'O']
  • Chemical System: Li-Mo-O-Tl
  • Density: 6.276768276411931
  • Atomic Density: 0.05629928029119897
  • Unit Cell Volume: 497.34205935092785
  • Molar Volume: 10.696656740284151
  • Full Formula: Li2 Tl6 Mo4 O16
  • Reduced Formula: LiTl3(MoO4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm