Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1219127

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-1219127
  • 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: 13
  • Number of elements: 3
  • Element list: ['Re', 'Hg', 'O']
  • Chemical System: Hg-O-Re
  • Density: 8.257010681031037
  • Atomic Density: 0.07156991140636096
  • Unit Cell Volume: 181.64057694843802
  • Molar Volume: 8.414347093162347
  • Full Formula: Re3 Hg1 O9
  • Reduced Formula: Re3HgO9
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 183
  • Spacegroup Symbol: P6mm
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -106.68709585
  • Final energy per atom: -8.206699680769232
  • 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.