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  1. Third-Parties
  2. MatprojStructure
  3. mp-1079170

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-1079170
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Na', 'Zn', 'Br', 'O']
  • Chemical System: Br-Na-O-Zn
  • Density: 3.024204127541833
  • Atomic Density: 0.04462591580026598
  • Unit Cell Volume: 224.085037151
  • Molar Volume: 13.494716359331514
  • Full Formula: Na1 Zn1 Br3 O5
  • Reduced Formula: NaZnBr3O5
  • Formula Anonymous: ABC3D5
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -31.28607262
  • Final energy per atom: -3.128607262
  • 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.