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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-62771
  • 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: 11
  • Number of elements: 3
  • Element list: ['Mg', 'B', 'H']
  • Chemical System: B-H-Mg
  • Density: 1.05365631443854
  • Atomic Density: 0.129278127057212
  • Unit Cell Volume: 85.08786637303271
  • Molar Volume: 4.658282802422487
  • Full Formula: Mg1 B2 H8
  • Reduced Formula: Mg(BH4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1