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  1. Third-Parties
  2. MatprojStructure
  3. mp-561222

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-561222
  • 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: 5
  • Element list: ['K', 'Hg', 'Br', 'N', 'O']
  • Chemical System: Br-Hg-K-N-O
  • Density: 3.5357616869954644
  • Atomic Density: 0.06142783868846531
  • Unit Cell Volume: 618.6120301695638
  • Molar Volume: 9.803601898711788
  • Full Formula: K4 Hg2 Br4 N4 O24
  • Reduced Formula: K2HgBr2(NO6)2
  • Formula Anonymous: AB2C2D2E12
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -199.00935523
  • Final energy per atom: -5.237088295526316
  • 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.