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  1. Third-Parties
  2. MatprojStructure
  3. mp-818613

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-818613
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Mn', 'As', 'Pb', 'O']
  • Chemical System: As-Mn-O-Pb
  • Density: 6.386473581949125
  • Atomic Density: 0.05886973981276316
  • Unit Cell Volume: 543.5729816672689
  • Molar Volume: 10.229603152916228
  • Full Formula: Mn2 As6 Pb6 O18
  • Reduced Formula: MnAs3(PbO3)3
  • Formula Anonymous: AB3C3D9
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -210.93179256
  • Final energy per atom: -6.5916185175
  • 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.