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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-33935
  • 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: 12
  • Number of elements: 3
  • Element list: ['Te', 'Mo', 'S']
  • Chemical System: Mo-S-Te
  • Density: 6.215541795606404
  • Atomic Density: 0.043932083807914815
  • Unit Cell Volume: 273.14889164984424
  • Molar Volume: 13.707842282944588
  • Full Formula: Te4 Mo4 S4
  • Reduced Formula: TeMoS
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm