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  1. Third-Parties
  2. MatprojStructure
  3. mp-728768

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-728768
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 132
  • Number of elements: 5
  • Element list: ['K', 'Mn', 'H', 'C', 'O']
  • Chemical System: C-H-K-Mn-O
  • Density: 2.145928276317128
  • Atomic Density: 0.06702785335866632
  • Unit Cell Volume: 1969.3305601429224
  • Molar Volume: 8.984534724356307
  • Full Formula: K12 Mn12 H8 C48 O52
  • Reduced Formula: K3Mn3H2C12O13
  • Formula Anonymous: A2B3C3D12E13
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -965.19592059
  • Final energy per atom: -7.3120903075
  • 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.