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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-11367
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Ba', 'Er', 'Cu', 'S']
  • Chemical System: Ba-Cu-Er-S
  • Density: 5.63451535595124
  • Atomic Density: 0.04384648482596876
  • Unit Cell Volume: 273.68214459218893
  • Molar Volume: 13.734603318606954
  • Full Formula: Ba2 Er2 Cu2 S6
  • Reduced Formula: BaErCuS3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm