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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211978

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-1211978
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['K', 'Na', 'Nd', 'F']
  • Chemical System: F-K-Na-Nd
  • Density: 3.723393276856194
  • Atomic Density: 0.06703261459797828
  • Unit Cell Volume: 1074.104007904408
  • Molar Volume: 8.983896564556247
  • Full Formula: K12 Na12 Nd6 F42
  • Reduced Formula: K2Na2NdF7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -386.0095529
  • Final energy per atom: -5.361243790277778
  • 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.