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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192395

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-1192395
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Hg', 'Bi', 'Te', 'Cl']
  • Chemical System: Bi-Cl-Hg-Te
  • Density: 5.485783129319128
  • Atomic Density: 0.03179499193259967
  • Unit Cell Volume: 943.5448218887815
  • Molar Volume: 18.940532435944572
  • Full Formula: Hg6 Bi4 Te4 Cl16
  • Reduced Formula: Hg3Bi2(TeCl4)2
  • Formula Anonymous: A2B2C3D8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -92.78889752
  • Final energy per atom: -3.0929632506666667
  • 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.