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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58505
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Mo', 'S']
  • Chemical System: Mo-S
  • Density: 4.824654414372296
  • Atomic Density: 0.05445382897184863
  • Unit Cell Volume: 220.37017830653787
  • Molar Volume: 11.059168608902247
  • Full Formula: Mo4 S8
  • Reduced Formula: MoS2
  • Formula Anonymous: AB2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m