Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1104672

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-1104672
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 5
  • Element list: ['Rb', 'Hg', 'N', 'Cl', 'O']
  • Chemical System: Cl-Hg-N-O-Rb
  • Density: 3.9617495901680613
  • Atomic Density: 0.03519369788384768
  • Unit Cell Volume: 426.21267164097367
  • Molar Volume: 17.11141801545069
  • Full Formula: Rb1 Hg3 N1 Cl8 O2
  • Reduced Formula: RbHg3N(Cl4O)2
  • Formula Anonymous: ABC2D3E8
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -47.18809928
  • Final energy per atom: -3.1458732853333333
  • 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.