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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224176

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-1224176
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 59
  • Number of elements: 5
  • Element list: ['K', 'Mg', 'As', 'H', 'O']
  • Chemical System: As-H-K-Mg-O
  • Density: 1.913708824208924
  • Atomic Density: 0.10677921900536154
  • Unit Cell Volume: 552.5419697725783
  • Molar Volume: 5.639805962335816
  • Full Formula: K1 Mg2 As2 H31 O23
  • Reduced Formula: KMg2As2H31O23
  • Formula Anonymous: AB2C2D23E31
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -320.27821907
  • Final energy per atom: -5.428444391016948
  • 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.