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  1. Third-Parties
  2. MatprojStructure
  3. mp-1077462

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-1077462
  • 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: 6
  • Number of elements: 3
  • Element list: ['Hg', 'N', 'Cl']
  • Chemical System: Cl-Hg-N
  • Density: 5.9267499972272635
  • Atomic Density: 0.042821554368951235
  • Unit Cell Volume: 140.11635234685548
  • Molar Volume: 14.063339943508668
  • Full Formula: Hg2 N2 Cl2
  • Reduced Formula: HgNCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -16.38740469
  • Final energy per atom: -2.731234115
  • 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.