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  1. Third-Parties
  2. MatprojStructure
  3. mp-766410

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-766410
  • 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: 36
  • Number of elements: 5
  • Element list: ['Li', 'Ti', 'Cr', 'S', 'O']
  • Chemical System: Cr-Li-O-S-Ti
  • Density: 2.6734115330484873
  • Atomic Density: 0.07239481894126303
  • Unit Cell Volume: 497.27315471578595
  • Molar Volume: 8.31846926074367
  • Full Formula: Li3 Ti3 Cr3 S3 O24
  • Reduced Formula: LiTiCrSO8
  • Formula Anonymous: ABCDE8
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -272.10714948
  • Final energy per atom: -7.558531929999999
  • 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.