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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198088

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-1198088
  • 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: 88
  • Number of elements: 4
  • Element list: ['K', 'H', 'C', 'O']
  • Chemical System: C-H-K-O
  • Density: 1.8544735248238917
  • Atomic Density: 0.08182744616035732
  • Unit Cell Volume: 1075.4337832754345
  • Molar Volume: 7.3595609328909095
  • Full Formula: K8 H24 C8 O48
  • Reduced Formula: KH3CO6
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -519.71511218
  • Final energy per atom: -5.9058535475000005
  • 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.