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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210324

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-1210324
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Na', 'Yb', 'Cl']
  • Chemical System: Cl-Na-Yb
  • Density: 2.929542498777324
  • Atomic Density: 0.03879713620001782
  • Unit Cell Volume: 515.5019663536613
  • Molar Volume: 15.52212701719266
  • Full Formula: Na6 Yb2 Cl12
  • Reduced Formula: Na3YbCl6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -74.72976089
  • Final energy per atom: -3.7364880444999997
  • 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.