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  1. Third-Parties
  2. MatprojStructure
  3. mp-850291

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-850291
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 98
  • Number of elements: 4
  • Element list: ['Li', 'Mn', 'Si', 'O']
  • Chemical System: Li-Mn-O-Si
  • Density: 2.6676814934898543
  • Atomic Density: 0.07120175468474396
  • Unit Cell Volume: 1376.3705744880745
  • Molar Volume: 8.457854426009439
  • Full Formula: Li4 Mn10 Si24 O60
  • Reduced Formula: Li2Mn5(Si2O5)6
  • Formula Anonymous: A2B5C12D30
  • Spacegroup Number: 190
  • Spacegroup Symbol: P-62c
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -813.05777539
  • Final energy per atom: -8.296507912142857
  • 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.