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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223604

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-1223604
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['La', 'Ti', 'S', 'O']
  • Chemical System: La-O-S-Ti
  • Density: 4.419933342255891
  • Atomic Density: 0.05052270121812829
  • Unit Cell Volume: 910.4818010699421
  • Molar Volume: 11.919672968394586
  • Full Formula: La8 Ti10 S24 O4
  • Reduced Formula: La4Ti5(S6O)2
  • Formula Anonymous: A2B4C5D12
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -341.28082822
  • Final energy per atom: -7.419148439565217
  • 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.