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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198529

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-1198529
  • 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: 104
  • Number of elements: 4
  • Element list: ['Hf', 'Hg', 'As', 'Cl']
  • Chemical System: As-Cl-Hf-Hg
  • Density: 5.465403924504257
  • Atomic Density: 0.031849861964448264
  • Unit Cell Volume: 3265.320274106299
  • Molar Volume: 18.907902228028767
  • Full Formula: Hf8 Hg32 As16 Cl48
  • Reduced Formula: HfHg4(AsCl3)2
  • Formula Anonymous: AB2C4D6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -377.95144974
  • Final energy per atom: -3.6341485551923074
  • 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.