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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96952
  • 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: 88
  • Number of elements: 4
  • Element list: ['Ba', 'Zn', 'B', 'O']
  • Chemical System: B-Ba-O-Zn
  • Density: 4.487311956289553
  • Atomic Density: 0.06494812039239488
  • Unit Cell Volume: 1354.927586330957
  • Molar Volume: 9.272232550559176
  • Full Formula: Ba16 Zn8 B16 O48
  • Reduced Formula: Ba2Zn(BO3)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2