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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223088

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-1223088
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['La', 'Cu', 'Se', 'S', 'O']
  • Chemical System: Cu-La-O-S-Se
  • Density: 6.57141001124283
  • Atomic Density: 0.0554088067996253
  • Unit Cell Volume: 288.76276036516634
  • Molar Volume: 10.868562432282378
  • Full Formula: La4 Cu4 Se3 S1 O4
  • Reduced Formula: La4Cu4Se3SO4
  • Formula Anonymous: AB3C4D4E4
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -107.70566761
  • Final energy per atom: -6.731604225625
  • 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.