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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-93823
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Mg', 'Ti', 'H']
  • Chemical System: H-Mg-Ti
  • Density: 2.7066359066076515
  • Atomic Density: 0.12833809582068653
  • Unit Cell Volume: 46.75151179103651
  • Molar Volume: 4.692403079140361
  • Full Formula: Mg1 Ti1 H4
  • Reduced Formula: MgTiH4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm