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  1. Third-Parties
  2. MatprojStructure
  3. mp-766831

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-766831
  • 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: 62
  • Number of elements: 4
  • Element list: ['Na', 'Ti', 'Mn', 'O']
  • Chemical System: Mn-Na-O-Ti
  • Density: 3.790155788452469
  • Atomic Density: 0.08433140646348151
  • Unit Cell Volume: 735.1946635308187
  • Molar Volume: 7.141041531908756
  • Full Formula: Na8 Ti10 Mn8 O36
  • Reduced Formula: Na4Ti5Mn4O18
  • Formula Anonymous: A4B4C5D18
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -510.32054344
  • Final energy per atom: -8.230976507096774
  • 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.