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  1. Third-Parties
  2. MatprojStructure
  3. mp-29558

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-29558
  • 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: 16
  • Number of elements: 3
  • Element list: ['Bi', 'Cl', 'O']
  • Chemical System: Bi-Cl-O
  • Density: 7.652897327188869
  • Atomic Density: 0.05075698810706372
  • Unit Cell Volume: 315.22753017280235
  • Molar Volume: 11.864653488298519
  • Full Formula: Bi6 Cl2 O8
  • Reduced Formula: Bi3ClO4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -93.24580866
  • Final energy per atom: -5.82786304125
  • 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.