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  1. Third-Parties
  2. MatprojStructure
  3. mp-647579

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-647579
  • 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: 48
  • Number of elements: 2
  • Element list: ['Zn', 'Br']
  • Chemical System: Br-Zn
  • Density: 3.8279865490108747
  • Atomic Density: 0.030707282976191814
  • Unit Cell Volume: 1563.1470891519675
  • Molar Volume: 19.61144124886962
  • Full Formula: Zn16 Br32
  • Reduced Formula: ZnBr2
  • Formula Anonymous: AB2
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -133.38583517
  • Final energy per atom: -2.778871566041667
  • 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.