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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116338
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ta', 'Mn', 'O']
  • Chemical System: Mn-O-Ta
  • Density: 7.054093856494233
  • Atomic Density: 0.08499449141677247
  • Unit Cell Volume: 70.59281019259072
  • Molar Volume: 7.085330660395734
  • Full Formula: Ta1 Mn1 O4
  • Reduced Formula: TaMnO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2