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  1. Third-Parties
  2. MatprojStructure
  3. mp-680182

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-680182
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 3
  • Element list: ['Bi', 'Ir', 'I']
  • Chemical System: Bi-I-Ir
  • Density: 9.103737934829327
  • Atomic Density: 0.029007720619923155
  • Unit Cell Volume: 3861.0410472264366
  • Molar Volume: 20.7604755951209
  • Full Formula: Bi72 Ir16 I24
  • Reduced Formula: Bi9Ir2I3
  • Formula Anonymous: A2B3C9
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -485.44090072
  • Final energy per atom: -4.334293756428571
  • 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.