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  1. Third-Parties
  2. MatprojStructure
  3. mp-675504

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-675504
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Li', 'Mn', 'As']
  • Chemical System: As-Li-Mn
  • Density: 3.8268540751563
  • Atomic Density: 0.06043305871595244
  • Unit Cell Volume: 661.8893838885115
  • Molar Volume: 9.96497759331573
  • Full Formula: Li19 Mn9 As12
  • Reduced Formula: Li19(Mn3As4)3
  • Formula Anonymous: A9B12C19
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -191.26396682
  • Final energy per atom: -4.7815991705
  • 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.