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  1. Third-Parties
  2. MatprojStructure
  3. mp-14985

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-14985
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['K', 'Zr', 'Pd', 'F']
  • Chemical System: F-K-Pd-Zr
  • Density: 3.980949955638843
  • Atomic Density: 0.06484128478024417
  • Unit Cell Volume: 616.8909227441341
  • Molar Volume: 9.287509925828653
  • Full Formula: K4 Zr4 Pd4 F28
  • Reduced Formula: KZrPdF7
  • Formula Anonymous: ABCD7
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -235.79983935
  • Final energy per atom: -5.89499598375
  • 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.