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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223878

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-1223878
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 7
  • Element list: ['K', 'Al', 'Fe', 'B', 'P', 'H', 'O']
  • Chemical System: Al-B-Fe-H-K-O-P
  • Density: 2.8456221471645082
  • Atomic Density: 0.08617989992741415
  • Unit Cell Volume: 348.1090141119657
  • Molar Volume: 6.9878716093569455
  • Full Formula: K2 Al1 Fe1 B2 P4 H2 O18
  • Reduced Formula: K2AlFeB2P4(HO9)2
  • Formula Anonymous: ABC2D2E2F4G18
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -223.58563364000003
  • Final energy per atom: -7.452854454666667
  • 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.