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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-104918
  • 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: 7
  • Number of elements: 3
  • Element list: ['Ti', 'Mo', 'S']
  • Chemical System: Mo-S-Ti
  • Density: 5.314163310363054
  • Atomic Density: 0.06087342806355673
  • Unit Cell Volume: 114.99270244303376
  • Molar Volume: 9.892889149782075
  • Full Formula: Ti1 Mo2 S4
  • Reduced Formula: Ti(MoS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m