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  1. Third-Parties
  2. MatprojStructure
  3. mp-780531

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-780531
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Na', 'Mn', 'O']
  • Chemical System: Mn-Na-O
  • Density: 3.5635433231931954
  • Atomic Density: 0.08304587321631535
  • Unit Cell Volume: 674.326102323386
  • Molar Volume: 7.251583404167131
  • Full Formula: Na12 Mn12 O32
  • Reduced Formula: Na3Mn3O8
  • Formula Anonymous: A3B3C8
  • Spacegroup Number: 212
  • Spacegroup Symbol: P4_332
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -387.49718381
  • Final energy per atom: -6.919592568035715
  • 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.