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  1. Third-Parties
  2. MatprojStructure
  3. mp-548402

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-548402
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['Na', 'W', 'Br', 'O']
  • Chemical System: Br-Na-O-W
  • Density: 5.253884027796089
  • Atomic Density: 0.038580954177596036
  • Unit Cell Volume: 285.1147731952078
  • Molar Volume: 15.609102699427423
  • Full Formula: Na1 W2 Br6 O2
  • Reduced Formula: NaW2(Br3O)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -60.387618
  • Final energy per atom: -5.489783454545455
  • 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.