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  1. Third-Parties
  2. MatprojStructure
  3. mp-771387

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-771387
  • 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: 58
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'C', 'S', 'O']
  • Chemical System: C-Li-Mn-O-S
  • Density: 2.6539547389641918
  • Atomic Density: 0.09505186533825413
  • Unit Cell Volume: 610.1931802558491
  • Molar Volume: 6.335636590159958
  • Full Formula: Li12 Mn4 C8 S2 O32
  • Reduced Formula: Li6Mn2C4SO16
  • Formula Anonymous: AB2C4D6E16
  • Spacegroup Number: 203
  • Spacegroup Symbol: Fd-31
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -423.61485075
  • Final energy per atom: -7.303704323275863
  • 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.