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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104411

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-1104411
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Hg', 'Bi', 'S', 'Cl']
  • Chemical System: Bi-Cl-Hg-S
  • Density: 5.290891542721745
  • Atomic Density: 0.034950107263175684
  • Unit Cell Volume: 429.1832321729204
  • Molar Volume: 17.230678906513916
  • Full Formula: Hg3 Bi2 S2 Cl8
  • Reduced Formula: Hg3Bi2(SCl4)2
  • Formula Anonymous: A2B2C3D8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -48.27165945
  • Final energy per atom: -3.21811063
  • 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.