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  1. Third-Parties
  2. MatprojStructure
  3. mp-12422

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-12422
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 5
  • Element list: ['Co', 'Hg', 'C', 'Se', 'N']
  • Chemical System: C-Co-Hg-N-Se
  • Density: 3.3135514013211065
  • Atomic Density: 0.04111744730485906
  • Unit Cell Volume: 340.4880632836744
  • Molar Volume: 14.646193172814824
  • Full Formula: Co1 Hg1 C4 Se4 N4
  • Reduced Formula: CoHgC4(SeN)4
  • Formula Anonymous: ABC4D4E4
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -90.73192724
  • Final energy per atom: -6.480851945714286
  • 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.