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  1. Third-Parties
  2. MatprojStructure
  3. mp-557798

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-557798
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['K', 'Li', 'Nd', 'F']
  • Chemical System: F-K-Li-Nd
  • Density: 3.1209734438563297
  • Atomic Density: 0.06223495885665301
  • Unit Cell Volume: 1156.906043206986
  • Molar Volume: 9.676459775398767
  • Full Formula: K20 Li8 Nd4 F40
  • Reduced Formula: K5Li2NdF10
  • Formula Anonymous: AB2C5D10
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -373.89562229
  • Final energy per atom: -5.192994754027778
  • 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.