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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-69224
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Tl', 'Cl']
  • Chemical System: Ba-Cl-Tl
  • Density: 5.8337693670708255
  • Atomic Density: 0.027313852410447714
  • Unit Cell Volume: 146.4458378075579
  • Molar Volume: 22.047936224831084
  • Full Formula: Ba2 Tl1 Cl1
  • Reduced Formula: Ba2TlCl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m