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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199362

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-1199362
  • 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: 38
  • Number of elements: 3
  • Element list: ['Hg', 'N', 'O']
  • Chemical System: Hg-N-O
  • Density: 5.765571100100966
  • Atomic Density: 0.05403114294844225
  • Unit Cell Volume: 703.2980967339607
  • Molar Volume: 11.145684565189493
  • Full Formula: Hg10 N6 O22
  • Reduced Formula: Hg5N3O11
  • Formula Anonymous: A3B5C11
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -184.59927659
  • Final energy per atom: -4.857875699736842
  • 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.