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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12644
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Ba', 'Nd', 'Mn', 'O']
  • Chemical System: Ba-Mn-Nd-O
  • Density: 6.80170197239688
  • Atomic Density: 0.08403225318283603
  • Unit Cell Volume: 119.00192629896715
  • Molar Volume: 7.16646350883526
  • Full Formula: Ba1 Nd1 Mn2 O6
  • Reduced Formula: BaNdMn2O6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm