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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-71153
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ca', 'Be', 'Nb']
  • Chemical System: Be-Ca-Nb
  • Density: 2.464577354717952
  • Atomic Density: 0.0339595010649042
  • Unit Cell Volume: 176.6810410003568
  • Molar Volume: 17.733301642124662
  • Full Formula: Ca4 Be1 Nb1
  • Reduced Formula: Ca4BeNb
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m