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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97804
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Ti', 'Mn', 'Si']
  • Chemical System: Mn-Si-Ti
  • Density: 4.991593221353005
  • Atomic Density: 0.07563423031699588
  • Unit Cell Volume: 634.6332844113552
  • Molar Volume: 7.962189520221448
  • Full Formula: Ti12 Mn12 Si24
  • Reduced Formula: TiMnSi2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm