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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96762
  • 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: 28
  • Number of elements: 3
  • Element list: ['Li', 'As', 'S']
  • Chemical System: As-Li-S
  • Density: 2.445769561708593
  • Atomic Density: 0.0537155334311201
  • Unit Cell Volume: 521.264487411349
  • Molar Volume: 11.211171844215686
  • Full Formula: Li12 As4 S12
  • Reduced Formula: Li3AsS3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2