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  1. Third-Parties
  2. MatprojStructure
  3. mp-30034

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-30034
  • 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: 3
  • Number of elements: 2
  • Element list: ['Mg', 'Br']
  • Chemical System: Br-Mg
  • Density: 3.329358988691528
  • Atomic Density: 0.03266993934822707
  • Unit Cell Volume: 91.8275350322254
  • Molar Volume: 18.433278053596418
  • Full Formula: Mg1 Br2
  • Reduced Formula: MgBr2
  • Formula Anonymous: AB2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -10.46545854
  • Final energy per atom: -3.48848618
  • 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.