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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-95315
  • 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: 24
  • Number of elements: 5
  • Element list: ['Ba', 'Zn', 'Ge', 'S', 'O']
  • Chemical System: Ba-Ge-O-S-Zn
  • Density: 3.79169896030418
  • Atomic Density: 0.03949790126519404
  • Unit Cell Volume: 607.6272214784498
  • Molar Volume: 15.246736072295498
  • Full Formula: Ba4 Zn2 Ge4 S12 O2
  • Reduced Formula: Ba2ZnGe2S6O
  • Formula Anonymous: ABC2D2E6
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m