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  1. Third-Parties
  2. MatprojStructure
  3. mp-698633

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-698633
  • 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: 32
  • Number of elements: 4
  • Element list: ['K', 'Sc', 'H', 'O']
  • Chemical System: H-K-O-Sc
  • Density: 1.7455508586221626
  • Atomic Density: 0.06363773125929356
  • Unit Cell Volume: 502.84633607718007
  • Molar Volume: 9.463160676584515
  • Full Formula: K6 Sc2 H12 O12
  • Reduced Formula: K3Sc(HO)6
  • Formula Anonymous: AB3C6D6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -160.66426069
  • Final energy per atom: -5.0207581465625
  • 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.