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  1. Third-Parties
  2. MatprojStructure
  3. mp-679944

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-679944
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 3
  • Element list: ['Li', 'Re', 'S']
  • Chemical System: Li-Re-S
  • Density: 6.090501919595952
  • Atomic Density: 0.05142713878634101
  • Unit Cell Volume: 1633.3788342568712
  • Molar Volume: 11.710044350356654
  • Full Formula: Li16 Re24 S44
  • Reduced Formula: Li4Re6S11
  • Formula Anonymous: A4B6C11
  • Spacegroup Number: 56
  • Spacegroup Symbol: Pccn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -595.3448751999999
  • Final energy per atom: -7.08743899047619
  • 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.