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  1. Third-Parties
  2. MatprojStructure
  3. mp-1236401

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-1236401
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Li', 'Ta', 'Te', 'Br', 'O']
  • Chemical System: Br-Li-O-Ta-Te
  • Density: 4.358336104097058
  • Atomic Density: 0.027884311559456112
  • Unit Cell Volume: 645.5242748819398
  • Molar Volume: 21.596878040755417
  • Full Formula: Li1 Ta2 Te4 Br10 O1
  • Reduced Formula: LiTa2Te4Br10O
  • Formula Anonymous: ABC2D4E10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -81.51289234000001
  • Final energy per atom: -4.528494018888889
  • 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.