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  1. Third-Parties
  2. MatprojStructure
  3. mp-775852

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-775852
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 5
  • Element list: ['Li', 'Sb', 'C', 'S', 'O']
  • Chemical System: C-Li-O-S-Sb
  • Density: 2.91111710068293
  • Atomic Density: 0.07793136476353446
  • Unit Cell Volume: 692.9174173178038
  • Molar Volume: 7.727493003969401
  • Full Formula: Li8 Sb4 C8 S2 O32
  • Reduced Formula: Li4Sb2C4SO16
  • Formula Anonymous: AB2C4D4E16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -375.99442517
  • Final energy per atom: -6.962859725370371
  • 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.