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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90563
  • 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: 8
  • Number of elements: 2
  • Element list: ['Mg', 'Ti']
  • Chemical System: Mg-Ti
  • Density: 2.3939886850928245
  • Atomic Density: 0.04774531583997115
  • Unit Cell Volume: 167.55570382681614
  • Molar Volume: 12.61305041982447
  • Full Formula: Mg6 Ti2
  • Reduced Formula: Mg3Ti
  • Formula Anonymous: AB3
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm