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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34046
  • 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: 7.158546878907171
  • Atomic Density: 0.03951928522990972
  • Unit Cell Volume: 303.6492165834502
  • Molar Volume: 15.238486032743863
  • Full Formula: Te7 Mo4 S1
  • Reduced Formula: Te7Mo4S
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m