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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207230

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-1207230
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 2
  • Element list: ['Mg', 'Br']
  • Chemical System: Br-Mg
  • Density: 0.17042661461676434
  • Atomic Density: 0.0014262294685812708
  • Unit Cell Volume: 4908.046113339103
  • Molar Volume: 422.2420650156999
  • Full Formula: Mg1 Br6
  • Reduced Formula: MgBr6
  • Formula Anonymous: AB6
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -14.15298613
  • Final energy per atom: -2.0218551614285714
  • 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.