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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197899

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-1197899
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 212
  • Number of elements: 6
  • Element list: ['Mn', 'H', 'C', 'Br', 'N', 'O']
  • Chemical System: Br-C-H-Mn-N-O
  • Density: 1.7349231177656323
  • Atomic Density: 0.10425346616300978
  • Unit Cell Volume: 2033.50553034389
  • Molar Volume: 5.776441764136489
  • Full Formula: Mn4 H112 C48 Br8 N32 O8
  • Reduced Formula: MnH28C12Br2(N4O)2
  • Formula Anonymous: AB2C2D8E12F28
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -1230.65169035
  • Final energy per atom: -5.804960803537736
  • 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.