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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-45278
  • 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: 24
  • Number of elements: 4
  • Element list: ['Ba', 'Cu', 'Si', 'O']
  • Chemical System: Ba-Cu-O-Si
  • Density: 4.4822783432914415
  • Atomic Density: 0.06396843817911167
  • Unit Cell Volume: 375.18502378938786
  • Molar Volume: 9.414237601265178
  • Full Formula: Ba4 Cu2 Si4 O14
  • Reduced Formula: Ba2CuSi2O7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m