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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-42889
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ti', 'Al', 'Mo']
  • Chemical System: Al-Mo-Ti
  • Density: 5.6769906591816905
  • Atomic Density: 0.06254154287333812
  • Unit Cell Volume: 63.95748835459618
  • Molar Volume: 9.629024938185974
  • Full Formula: Ti2 Al1 Mo1
  • Reduced Formula: Ti2AlMo
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m