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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211919

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-1211919
  • 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: 18
  • Number of elements: 5
  • Element list: ['K', 'H', 'Os', 'Br', 'N']
  • Chemical System: Br-H-K-N-Os
  • Density: 3.332785847053969
  • Atomic Density: 0.031972590943291565
  • Unit Cell Volume: 562.982212856188
  • Molar Volume: 18.83532295109025
  • Full Formula: K2 H4 Os2 Br8 N2
  • Reduced Formula: KH2OsBr4N
  • Formula Anonymous: ABCD2E4
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -75.65253581
  • Final energy per atom: -4.202918656111112
  • 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.