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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-28753
  • 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: 3
  • Element list: ['Mo', 'Se', 'S']
  • Chemical System: Mo-S-Se
  • Density: 3.9825295191485135
  • Atomic Density: 0.039206102993102454
  • Unit Cell Volume: 306.0747966231473
  • Molar Volume: 15.360212569608048
  • Full Formula: Mo4 Se2 S6
  • Reduced Formula: Mo2SeS3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1