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  1. Third-Parties
  2. MatprojStructure
  3. mp-28626

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-28626
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['La', 'S', 'O']
  • Chemical System: La-O-S
  • Density: 5.269538676880861
  • Atomic Density: 0.05091820997159691
  • Unit Cell Volume: 235.67207108603807
  • Molar Volume: 11.827086544007063
  • Full Formula: La4 S4 O4
  • Reduced Formula: LaSO
  • Formula Anonymous: ABC
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -92.70481305
  • Final energy per atom: -7.7254010875
  • 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.