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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199802

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-1199802
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Cu', 'S', 'N', 'O']
  • Chemical System: Cu-N-O-S
  • Density: 1.893444855632905
  • Atomic Density: 0.05414924955337323
  • Unit Cell Volume: 812.5689711845511
  • Molar Volume: 11.121374367458523
  • Full Formula: Cu4 S4 N16 O20
  • Reduced Formula: CuSN4O5
  • Formula Anonymous: ABC4D5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -290.58976626000003
  • Final energy per atom: -6.604312869545455
  • 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.