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  1. Third-Parties
  2. MatprojStructure
  3. mp-21243

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-21243
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['Tl', 'Hg', 'N', 'O']
  • Chemical System: Hg-N-O-Tl
  • Density: 4.03021395770566
  • Atomic Density: 0.049167714255531694
  • Unit Cell Volume: 223.72404669518326
  • Molar Volume: 12.248160914501877
  • Full Formula: Tl1 Hg1 N3 O6
  • Reduced Formula: TlHg(NO2)3
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 200
  • Spacegroup Symbol: Pm-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -56.08826789
  • Final energy per atom: -5.098933444545454
  • 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.