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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116938
  • 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: 20
  • Number of elements: 3
  • Element list: ['Tb', 'Sc', 'S']
  • Chemical System: S-Sc-Tb
  • Density: 4.683425026023101
  • Atomic Density: 0.04699512811740597
  • Unit Cell Volume: 425.57602886058385
  • Molar Volume: 12.814393749401294
  • Full Formula: Tb4 Sc4 S12
  • Reduced Formula: TbScS3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm