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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-105990
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Ta', 'Mo', 'S']
  • Chemical System: Mo-S-Ta
  • Density: 6.242063443045171
  • Atomic Density: 0.052030430522889304
  • Unit Cell Volume: 172.9756972900831
  • Molar Volume: 11.574266634889234
  • Full Formula: Ta2 Mo1 S6
  • Reduced Formula: Ta2MoS6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m