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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223626

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-1223626
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 4
  • Element list: ['K', 'Ba', 'Fe', 'As']
  • Chemical System: As-Ba-Fe-K
  • Density: 6.291762646290993
  • Atomic Density: 0.049958380144006616
  • Unit Cell Volume: 500.41654529103437
  • Molar Volume: 12.054315497502095
  • Full Formula: K1 Ba4 Fe10 As10
  • Reduced Formula: KBa4(FeAs)10
  • Formula Anonymous: AB4C10D10
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -152.25236642
  • Final energy per atom: -6.0900946568
  • 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.