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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220753

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-1220753
  • 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: 19
  • Number of elements: 4
  • Element list: ['Na', 'Hf', 'N', 'Cl']
  • Chemical System: Cl-Hf-N-Na
  • Density: 6.822821553998936
  • Atomic Density: 0.05613565812799023
  • Unit Cell Volume: 338.4657922185518
  • Molar Volume: 10.727834964131747
  • Full Formula: Na1 Hf6 N6 Cl6
  • Reduced Formula: NaHf6(NCl)6
  • Formula Anonymous: AB6C6D6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -160.18472106
  • Final energy per atom: -8.430774792631578
  • 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.