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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194654

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-1194654
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 5
  • Element list: ['Hg', 'H', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-H-Hg-N
  • Density: 3.1669527195712885
  • Atomic Density: 0.05496763843152235
  • Unit Cell Volume: 1309.861621391944
  • Molar Volume: 10.955793139089046
  • Full Formula: Hg8 H32 C8 N4 Cl20
  • Reduced Formula: Hg2H8C2NCl5
  • Formula Anonymous: AB2C2D5E8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -300.03804532999993
  • Final energy per atom: -4.167195074027777
  • 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.