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  1. Third-Parties
  2. MatprojStructure
  3. mp-649415

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-649415
  • 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: 36
  • Number of elements: 5
  • Element list: ['K', 'Bi', 'N', 'Cl', 'O']
  • Chemical System: Bi-Cl-K-N-O
  • Density: 3.34947839757689
  • Atomic Density: 0.04359286814264957
  • Unit Cell Volume: 825.8231571778365
  • Molar Volume: 13.814509153868155
  • Full Formula: K4 Bi4 N4 Cl12 O12
  • Reduced Formula: KBiN(ClO)3
  • Formula Anonymous: ABCD3E3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -185.47667958
  • Final energy per atom: -5.152129988333333
  • 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.