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  1. Third-Parties
  2. MatprojStructure
  3. mp-510604

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-510604
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 2
  • Element list: ['Mn', 'O']
  • Chemical System: Mn-O
  • Density: 4.716447683975449
  • Atomic Density: 0.08995483637611819
  • Unit Cell Volume: 444.6675866626274
  • Molar Volume: 6.694626995729602
  • Full Formula: Mn16 O24
  • Reduced Formula: Mn2O3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -345.62876875
  • Final energy per atom: -8.64071921875
  • 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.