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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-105125
  • 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: ['Ca', 'Tl', 'Hg']
  • Chemical System: Ca-Hg-Tl
  • Density: 7.314440278913215
  • Atomic Density: 0.03631905057513639
  • Unit Cell Volume: 110.13503758103067
  • Molar Volume: 16.581217473021415
  • Full Formula: Ca2 Tl1 Hg1
  • Reduced Formula: Ca2TlHg
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m