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  1. Third-Parties
  2. MatprojStructure
  3. mp-849596

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-849596
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 61
  • Number of elements: 2
  • Element list: ['Mn', 'O']
  • Chemical System: Mn-O
  • Density: 4.135748875875307
  • Atomic Density: 0.08470151068066191
  • Unit Cell Volume: 720.1760571895777
  • Molar Volume: 7.109838669471223
  • Full Formula: Mn21 O40
  • Reduced Formula: Mn21O40
  • Formula Anonymous: A21B40
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -499.89354723
  • Final energy per atom: -8.194976184098362
  • 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.