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  1. Third-Parties
  2. MatprojStructure
  3. mp-1330058

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-1330058
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['La', 'Ti', 'Se', 'O']
  • Chemical System: La-O-Se-Ti
  • Density: 5.964739539718737
  • Atomic Density: 0.04673786071202757
  • Unit Cell Volume: 984.212783794837
  • Molar Volume: 12.884930264791207
  • Full Formula: La12 Ti6 Se18 O10
  • Reduced Formula: La6Ti3Se9O5
  • Formula Anonymous: A3B5C6D9
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -341.33598691
  • Final energy per atom: -7.420347541521738
  • 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.