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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36647
  • 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: 4
  • Number of elements: 3
  • Element list: ['Mg', 'Ni', 'H']
  • Chemical System: H-Mg-Ni
  • Density: 4.126669498418227
  • Atomic Density: 0.11692804831405393
  • Unit Cell Volume: 34.20907179820967
  • Molar Volume: 5.150296140944124
  • Full Formula: Mg1 Ni1 H2
  • Reduced Formula: MgNiH2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm