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  1. Third-Parties
  2. MatprojStructure
  3. mp-583213

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-583213
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 2
  • Element list: ['Hg', 'I']
  • Chemical System: Hg-I
  • Density: 5.308103351065664
  • Atomic Density: 0.021104458711848188
  • Unit Cell Volume: 2274.4009052955466
  • Molar Volume: 28.53492165908586
  • Full Formula: Hg16 I32
  • Reduced Formula: HgI2
  • Formula Anonymous: AB2
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -80.82347841
  • Final energy per atom: -1.6838224668750001
  • 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.