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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211729

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-1211729
  • 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: 14
  • Number of elements: 5
  • Element list: ['K', 'Cr', 'Fe', 'H', 'O']
  • Chemical System: Cr-Fe-H-K-O
  • Density: 2.544615318962907
  • Atomic Density: 0.06521923496088519
  • Unit Cell Volume: 214.66059834029653
  • Molar Volume: 9.233688134507771
  • Full Formula: K1 Cr2 Fe1 H2 O8
  • Reduced Formula: KCr2Fe(HO4)2
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -91.97982148
  • Final energy per atom: -6.569987248571429
  • 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.