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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189018

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-1189018
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Na', 'Hf', 'F']
  • Chemical System: F-Hf-Na
  • Density: 4.364637825573042
  • Atomic Density: 0.07312329294897163
  • Unit Cell Volume: 273.5106584157363
  • Molar Volume: 8.235598421699214
  • Full Formula: Na5 Hf2 F13
  • Reduced Formula: Na5Hf2F13
  • Formula Anonymous: A2B5C13
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -124.34389877
  • Final energy per atom: -6.2171949385
  • 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.