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  1. Third-Parties
  2. MatprojStructure
  3. mp-22849

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-22849
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Bi', 'I']
  • Chemical System: Bi-I
  • Density: 4.78714895533529
  • Atomic Density: 0.019555155146077398
  • Unit Cell Volume: 409.09928559706333
  • Molar Volume: 30.79566853351195
  • Full Formula: Bi2 I6
  • Reduced Formula: BiI3
  • Formula Anonymous: AB3
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -23.05523965
  • Final energy per atom: -2.88190495625
  • 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.