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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-51227
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Ca', 'Hf', 'Be']
  • Chemical System: Be-Ca-Hf
  • Density: 5.510271309831506
  • Atomic Density: 0.04374321503758502
  • Unit Cell Volume: 68.58206461098806
  • Molar Volume: 13.767028223292824
  • Full Formula: Ca1 Hf1 Be1
  • Reduced Formula: CaHfBe
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m