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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-33950
  • 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: 6.543443269096309
  • Atomic Density: 0.042297448217708485
  • Unit Cell Volume: 283.7050580033812
  • Molar Volume: 14.237598280169387
  • Full Formula: Te5 Mo4 S3
  • Reduced Formula: Te5Mo4S3
  • Formula Anonymous: A3B4C5
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m