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  1. Third-Parties
  2. MatprojStructure
  3. mp-766680

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-766680
  • 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: 78
  • Number of elements: 5
  • Element list: ['Mn', 'Cu', 'H', 'S', 'O']
  • Chemical System: Cu-H-Mn-O-S
  • Density: 2.9487247451985006
  • Atomic Density: 0.1025461342488992
  • Unit Cell Volume: 760.6332561564826
  • Molar Volume: 5.872616070912148
  • Full Formula: Mn2 Cu8 H28 S4 O36
  • Reduced Formula: MnCu4H14(SO9)2
  • Formula Anonymous: AB2C4D14E18
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -445.95406207
  • Final energy per atom: -5.717359770128206
  • 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.