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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-41189
  • 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: 22
  • Number of elements: 3
  • Element list: ['Mg', 'Tc', 'H']
  • Chemical System: H-Mg-Tc
  • Density: 2.7929935238457193
  • Atomic Density: 0.103959767749242
  • Unit Cell Volume: 211.62032655811132
  • Molar Volume: 5.79276088277324
  • Full Formula: Mg6 Tc2 H14
  • Reduced Formula: Mg3TcH7
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm