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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196552

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-1196552
  • 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: 220
  • Number of elements: 7
  • Element list: ['H', 'Os', 'C', 'S', 'Br', 'N', 'O']
  • Chemical System: Br-C-H-N-O-Os-S
  • Density: 2.0163095795062427
  • Atomic Density: 0.07382010265663559
  • Unit Cell Volume: 2980.2180176218503
  • Molar Volume: 8.15786018073043
  • Full Formula: H104 Os4 C24 S24 Br12 N48 O4
  • Reduced Formula: H26OsC6S6Br3N12O
  • Formula Anonymous: ABC3D6E6F12G26
  • Spacegroup Number: 56
  • Spacegroup Symbol: Pccn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1238.18550673
  • Final energy per atom: -5.628115939681819
  • 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.