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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173723

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-1173723
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 3
  • Element list: ['Na', 'La', 'Cl']
  • Chemical System: Cl-La-Na
  • Density: 3.5096536841323718
  • Atomic Density: 0.03920565643360004
  • Unit Cell Volume: 663.1696128856925
  • Molar Volume: 15.360387525201343
  • Full Formula: Na3 La5 Cl18
  • Reduced Formula: Na3La5Cl18
  • Formula Anonymous: A3B5C18
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6

Thermodynamics:

  • Final energy: -131.68573402
  • Final energy per atom: -5.064835923846155
  • 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.