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  1. Third-Parties
  2. MatprojStructure
  3. mp-605166

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-605166
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 6
  • Element list: ['K', 'Dy', 'H', 'C', 'S', 'O']
  • Chemical System: C-Dy-H-K-O-S
  • Density: 3.4061769980943186
  • Atomic Density: 0.08129887443525846
  • Unit Cell Volume: 787.218770795723
  • Molar Volume: 7.407409760384408
  • Full Formula: K4 Dy4 H8 C8 S4 O36
  • Reduced Formula: KDyH2C2SO9
  • Formula Anonymous: ABCD2E2F9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -455.89033058
  • Final energy per atom: -7.1232864153125
  • 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.