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  1. Third-Parties
  2. MatprojStructure
  3. mp-680053

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-680053
  • 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: 188
  • Number of elements: 3
  • Element list: ['Bi', 'Ru', 'Br']
  • Chemical System: Bi-Br-Ru
  • Density: 6.885709133400088
  • Atomic Density: 0.028176755592409827
  • Unit Cell Volume: 6672.166331692315
  • Molar Volume: 21.372725969991475
  • Full Formula: Bi96 Ru12 Br80
  • Reduced Formula: Bi24Ru3Br20
  • Formula Anonymous: A3B20C24
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -738.14213094
  • Final energy per atom: -3.926287930531915
  • 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.