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  1. Third-Parties
  2. MatprojStructure
  3. mp-766498

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-766498
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'C', 'O', 'F']
  • Chemical System: C-F-Li-Mn-O
  • Density: 2.872613251128553
  • Atomic Density: 0.08655875536266124
  • Unit Cell Volume: 369.69108284803053
  • Molar Volume: 6.957286683211442
  • Full Formula: Li4 Mn4 C4 O12 F8
  • Reduced Formula: LiMnCO3F2
  • Formula Anonymous: ABCD2E3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -229.73226699
  • Final energy per atom: -7.1791333434375
  • 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.