Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1197269

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-1197269
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 3
  • Element list: ['Hg', 'N', 'O']
  • Chemical System: Hg-N-O
  • Density: 5.507166170437667
  • Atomic Density: 0.06314846533300318
  • Unit Cell Volume: 950.1418551282242
  • Molar Volume: 9.53647998924949
  • Full Formula: Hg12 N12 O36
  • Reduced Formula: HgNO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 213
  • Spacegroup Symbol: P4_132
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -313.48582224
  • Final energy per atom: -5.224763704
  • 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.