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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180939

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-1180939
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['K', 'Os', 'Br', 'N', 'O']
  • Chemical System: Br-K-N-O-Os
  • Density: 4.114702094319785
  • Atomic Density: 0.03748447967445552
  • Unit Cell Volume: 480.1987424215582
  • Molar Volume: 16.065691220208926
  • Full Formula: K2 Os2 Br8 N2 O4
  • Reduced Formula: KOsBr4NO2
  • Formula Anonymous: ABCD2E4
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -76.24451304
  • Final energy per atom: -4.23580628
  • 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.