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  1. Third-Parties
  2. MatprojStructure
  3. mp-571445

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-571445
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Hf', 'Hg', 'Se', 'Cl']
  • Chemical System: Cl-Hf-Hg-Se
  • Density: 5.43471806371026
  • Atomic Density: 0.034124974253379355
  • Unit Cell Volume: 703.2972339202075
  • Molar Volume: 17.647312244942235
  • Full Formula: Hf2 Hg6 Se4 Cl12
  • Reduced Formula: HfHg3(SeCl3)2
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -92.24253145
  • Final energy per atom: -3.8434388104166666
  • 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.