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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215159

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-1215159
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 148
  • Number of elements: 5
  • Element list: ['Ba', 'Na', 'Mn', 'Si', 'O']
  • Chemical System: Ba-Mn-Na-O-Si
  • Density: 3.7758468376972614
  • Atomic Density: 0.0706275654089688
  • Unit Cell Volume: 2095.499103544151
  • Molar Volume: 8.52661524594371
  • Full Formula: Ba12 Na4 Mn16 Si24 O92
  • Reduced Formula: Ba3NaMn4Si6O23
  • Formula Anonymous: AB3C4D6E23
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1159.74119057
  • Final energy per atom: -7.836089125472974
  • 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.