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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192826

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-1192826
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Cu', 'H', 'S', 'O']
  • Chemical System: Cu-H-O-S
  • Density: 2.5878451356870995
  • Atomic Density: 0.10941289830607757
  • Unit Cell Volume: 274.1907075350145
  • Molar Volume: 5.504050119532833
  • Full Formula: Cu2 H12 S2 O14
  • Reduced Formula: CuH6SO7
  • Formula Anonymous: ABC6D7
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -167.79580676
  • Final energy per atom: -5.593193558666667
  • 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.