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  1. Third-Parties
  2. MatprojStructure
  3. mp-770905

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-770905
  • 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: 22
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'As', 'C', 'O']
  • Chemical System: As-C-Li-Mn-O
  • Density: 2.9157974415072427
  • Atomic Density: 0.07405961554128389
  • Unit Cell Volume: 297.0579828048971
  • Molar Volume: 8.131477210603409
  • Full Formula: Li2 Mn2 As2 C2 O14
  • Reduced Formula: LiMnAsCO7
  • Formula Anonymous: ABCDE7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -159.56215166
  • Final energy per atom: -7.252825075454546
  • 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.