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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191992

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-1191992
  • 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: 24
  • Number of elements: 5
  • Element list: ['Bi', 'C', 'S', 'Cl', 'O']
  • Chemical System: Bi-C-Cl-O-S
  • Density: 2.293977064611877
  • Atomic Density: 0.03607657563299695
  • Unit Cell Volume: 665.2516093586422
  • Molar Volume: 16.692661801559485
  • Full Formula: Bi2 C8 S4 Cl6 O4
  • Reduced Formula: BiC4S2Cl3O2
  • Formula Anonymous: AB2C2D3E4
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -132.05100684
  • Final energy per atom: -5.502125285000001
  • 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.