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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34459
  • 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', 'Zn', 'Cl', 'F']
  • Chemical System: Ba-Cl-F-Zn
  • Density: 4.902744008743624
  • Atomic Density: 0.061734037527033415
  • Unit Cell Volume: 388.76446384201535
  • Molar Volume: 9.754976348927277
  • Full Formula: Ba4 Zn4 Cl2 F14
  • Reduced Formula: Ba2Zn2ClF7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m