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  1. Third-Parties
  2. MatprojStructure
  3. mp-675195

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-675195
  • 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: 27
  • Number of elements: 3
  • Element list: ['Li', 'Mn', 'As']
  • Chemical System: As-Li-Mn
  • Density: 3.7793744463805217
  • Atomic Density: 0.06029213412531725
  • Unit Cell Volume: 447.81961016474355
  • Molar Volume: 9.988269361112637
  • Full Formula: Li13 Mn6 As8
  • Reduced Formula: Li13(Mn3As4)2
  • Formula Anonymous: A6B8C13
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -128.39788107
  • Final energy per atom: -4.755477076666667
  • 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.