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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182323

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-1182323
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['K', 'Pt', 'Br', 'N', 'O']
  • Chemical System: Br-K-N-O-Pt
  • Density: 4.061356268401443
  • Atomic Density: 0.03397624092636523
  • Unit Cell Volume: 2472.315880442701
  • Molar Volume: 17.724564565725334
  • Full Formula: K12 Pt12 Br36 N12 O12
  • Reduced Formula: KPtBr3NO
  • Formula Anonymous: ABCDE3
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -328.39462826
  • Final energy per atom: -3.909459860238095
  • 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.