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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-62827
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Mg', 'B', 'H']
  • Chemical System: B-H-Mg
  • Density: 0.9235962588703566
  • Atomic Density: 0.11332043747816622
  • Unit Cell Volume: 194.13973762887036
  • Molar Volume: 5.314258305047845
  • Full Formula: Mg2 B4 H16
  • Reduced Formula: Mg(BH4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2