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  1. Third-Parties
  2. MatprojStructure
  3. mp-556362

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-556362
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Bi', 'Se', 'Cl', 'O']
  • Chemical System: Bi-Cl-O-Se
  • Density: 5.363834377055789
  • Atomic Density: 0.05218496968125236
  • Unit Cell Volume: 459.9025379643382
  • Molar Volume: 11.539990914593703
  • Full Formula: Bi4 Se4 Cl4 O12
  • Reduced Formula: BiSeClO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -131.35025069
  • Final energy per atom: -5.472927112083333
  • 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.