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  1. Third-Parties
  2. MatprojStructure
  3. mp-558535

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-558535
  • 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: 100
  • Number of elements: 3
  • Element list: ['La', 'Se', 'O']
  • Chemical System: La-O-Se
  • Density: 6.151065714440611
  • Atomic Density: 0.03688774210739276
  • Unit Cell Volume: 2710.9276493222596
  • Molar Volume: 16.325587894394566
  • Full Formula: La40 Se56 O4
  • Reduced Formula: La10Se14O
  • Formula Anonymous: AB10C14
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -656.87988521
  • Final energy per atom: -6.5687988521
  • 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.