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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55691
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Na', 'Mg', 'H']
  • Chemical System: H-Mg-Na
  • Density: 1.5106528512056245
  • Atomic Density: 0.09039764670246198
  • Unit Cell Volume: 221.24469750665867
  • Molar Volume: 6.661833553943598
  • Full Formula: Na4 Mg4 H12
  • Reduced Formula: NaMgH3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm