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  1. Third-Parties
  2. MatprojStructure
  3. mp-554477

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-554477
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Ba', 'Na', 'Mn', 'O']
  • Chemical System: Ba-Mn-Na-O
  • Density: 5.460276446674726
  • Atomic Density: 0.06368203093186733
  • Unit Cell Volume: 753.7448052081543
  • Molar Volume: 9.456577737671427
  • Full Formula: Ba12 Na3 Mn6 O27
  • Reduced Formula: Ba4NaMn2O9
  • Formula Anonymous: AB2C4D9
  • Spacegroup Number: 150
  • Spacegroup Symbol: P321
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -334.45239011
  • Final energy per atom: -6.967758127291667
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.