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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213674

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-1213674
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Cu', 'H', 'S', 'N', 'O']
  • Chemical System: Cu-H-N-O-S
  • Density: 1.8018405506337292
  • Atomic Density: 0.05509530627351058
  • Unit Cell Volume: 798.6161249666177
  • Molar Volume: 10.930406176715277
  • Full Formula: Cu4 H4 S4 N16 O16
  • Reduced Formula: CuHS(NO)4
  • Formula Anonymous: ABCD4E4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -282.29480439
  • Final energy per atom: -6.4157910088636365
  • 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.