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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-23239
  • 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: 38
  • Number of elements: 4
  • Element list: ['Ba', 'Sm', 'Mn', 'O']
  • Chemical System: Ba-Mn-O-Sm
  • Density: 7.294621268937678
  • Atomic Density: 0.06826736917222391
  • Unit Cell Volume: 556.6348968880602
  • Molar Volume: 8.82140447628417
  • Full Formula: Ba5 Sm8 Mn4 O21
  • Reduced Formula: Ba5Sm8Mn4O21
  • Formula Anonymous: A4B5C8D21
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m