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  1. Third-Parties
  2. MatprojStructure
  3. mp-531949

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-531949
  • 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: 63
  • Number of elements: 3
  • Element list: ['Li', 'Mn', 'As']
  • Chemical System: As-Li-Mn
  • Density: 4.197201963856115
  • Atomic Density: 0.05776175814792478
  • Unit Cell Volume: 1090.6870223489452
  • Molar Volume: 10.425826624905737
  • Full Formula: Li23 Mn20 As20
  • Reduced Formula: Li23(MnAs)20
  • Formula Anonymous: A20B20C23
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -336.74417552
  • Final energy per atom: -5.345145643174603
  • 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.