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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-51728
  • 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: 21
  • Number of elements: 3
  • Element list: ['Ca', 'Mg', 'H']
  • Chemical System: Ca-H-Mg
  • Density: 1.788905161112728
  • Atomic Density: 0.09146741145600801
  • Unit Cell Volume: 229.58996724314343
  • Molar Volume: 6.583919522961899
  • Full Formula: Ca4 Mg3 H14
  • Reduced Formula: Ca4Mg3H14
  • Formula Anonymous: A3B4C14
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m