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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87881
  • 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: 32
  • Number of elements: 3
  • Element list: ['Y', 'Hf', 'S']
  • Chemical System: Hf-S-Y
  • Density: 5.3150019400938175
  • Atomic Density: 0.04956412796160822
  • Unit Cell Volume: 645.628225816599
  • Molar Volume: 12.150200170301954
  • Full Formula: Y8 Hf4 S20
  • Reduced Formula: Y2HfS5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm