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  1. Third-Parties
  2. MatprojStructure
  3. mp-30179

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-30179
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 3
  • Element list: ['Mn', 'Al', 'Ni']
  • Chemical System: Al-Mn-Ni
  • Density: 3.7186154071390853
  • Atomic Density: 0.06804876806195496
  • Unit Cell Volume: 1146.2367684450207
  • Molar Volume: 8.849742517773642
  • Full Formula: Mn12 Al62 Ni4
  • Reduced Formula: Mn6Al31Ni2
  • Formula Anonymous: A2B6C31
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -382.33829421
  • Final energy per atom: -4.901773002692308
  • 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.