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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-74598
  • 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', 'Be', 'Tl']
  • Chemical System: Be-Ca-Tl
  • Density: 4.825900805035933
  • Atomic Density: 0.03960089556184493
  • Unit Cell Volume: 101.0078166983163
  • Molar Volume: 15.20708225043848
  • Full Formula: Ca2 Be1 Tl1
  • Reduced Formula: Ca2BeTl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m