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  1. Third-Parties
  2. MatprojStructure
  3. mp-777817

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-777817
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['Li', 'Mn', 'S', 'O']
  • Chemical System: Li-Mn-O-S
  • Density: 2.742661871935276
  • Atomic Density: 0.07617923345615993
  • Unit Cell Volume: 997.6472137086668
  • Molar Volume: 7.905226249704465
  • Full Formula: Li8 Mn8 S12 O48
  • Reduced Formula: Li2Mn2(SO4)3
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -538.50035323
  • Final energy per atom: -7.085530963552631
  • 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.