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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197574

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-1197574
  • 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: 6
  • Element list: ['Ba', 'Na', 'Mn', 'Si', 'O', 'F']
  • Chemical System: Ba-F-Mn-Na-O-Si
  • Density: 3.7634957102489484
  • Atomic Density: 0.07021975221834188
  • Unit Cell Volume: 2107.669072083985
  • Molar Volume: 8.576135018640773
  • Full Formula: Ba12 Na4 Mn16 Si24 O88 F4
  • Reduced Formula: Ba3NaMn4Si6O22F
  • Formula Anonymous: ABC3D4E6F22
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1155.9330074
  • Final energy per atom: -7.810358158108108
  • 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.