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  1. Third-Parties
  2. MatprojStructure
  3. mp-669328

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-669328
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Re', 'Te', 'Br']
  • Chemical System: Br-Re-Te
  • Density: 5.075188173016218
  • Atomic Density: 0.0284010128935566
  • Unit Cell Volume: 1267.5604259229572
  • Molar Volume: 21.203964740871115
  • Full Formula: Re4 Te12 Br20
  • Reduced Formula: ReTe3Br5
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -140.98260034
  • Final energy per atom: -3.916183342777778
  • 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.