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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-69136
  • 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', 'Ca', 'Mg']
  • Chemical System: Ba-Ca-Mg
  • Density: 2.4869156578287117
  • Atomic Density: 0.024776343168177204
  • Unit Cell Volume: 161.44432505026043
  • Molar Volume: 24.30601125889656
  • Full Formula: Ba1 Ca2 Mg1
  • Reduced Formula: BaCa2Mg
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm