Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-558763

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-558763
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['Ag', 'Hg', 'Se', 'O']
  • Chemical System: Ag-Hg-O-Se
  • Density: 6.406219939683736
  • Atomic Density: 0.06331597154432532
  • Unit Cell Volume: 1389.8546899559813
  • Molar Volume: 9.511250657796678
  • Full Formula: Ag16 Hg8 Se16 O48
  • Reduced Formula: Ag2Hg(SeO3)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -421.83945778
  • Final energy per atom: -4.793630202045454
  • 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.