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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211735

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-1211735
  • 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: 12
  • Number of elements: 4
  • Element list: ['K', 'Al', 'Fe', 'F']
  • Chemical System: Al-F-Fe-K
  • Density: 2.5768410968862216
  • Atomic Density: 0.04315245242923719
  • Unit Cell Volume: 278.0838474864898
  • Molar Volume: 13.955500605383447
  • Full Formula: K2 Al2 Fe4 F4
  • Reduced Formula: KAlFe2F2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -57.34831448
  • Final energy per atom: -4.779026206666667
  • 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.