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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99100
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Ba', 'U', 'Cu', 'S']
  • Chemical System: Ba-Cu-S-U
  • Density: 5.672049259858466
  • Atomic Density: 0.042692017116119585
  • Unit Cell Volume: 234.23582851099852
  • Molar Volume: 14.106011303284543
  • Full Formula: Ba2 U1 Cu2 S5
  • Reduced Formula: Ba2UCu2S5
  • Formula Anonymous: AB2C2D5
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m