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  1. Third-Parties
  2. MatprojStructure
  3. mp-776454

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-776454
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 55
  • Number of elements: 5
  • Element list: ['Li', 'Cr', 'C', 'S', 'O']
  • Chemical System: C-Cr-Li-O-S
  • Density: 2.6272720057972907
  • Atomic Density: 0.09231414478157822
  • Unit Cell Volume: 595.7916864217708
  • Molar Volume: 6.523529816853972
  • Full Formula: Li9 Cr4 C8 S2 O32
  • Reduced Formula: Li9Cr4C8(SO16)2
  • Formula Anonymous: A2B4C8D9E32
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -410.81720193
  • Final energy per atom: -7.469403671454546
  • 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.