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  1. Third-Parties
  2. MatprojStructure
  3. mp-1106000

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-1106000
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['La', 'Tl']
  • Chemical System: La-Tl
  • Density: 9.690066236410257
  • Atomic Density: 0.032450219907482716
  • Unit Cell Volume: 493.0629143844585
  • Molar Volume: 18.558089212243985
  • Full Formula: La6 Tl10
  • Reduced Formula: La3Tl5
  • Formula Anonymous: A3B5
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -59.89404923
  • Final energy per atom: -3.743378076875
  • 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.