Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1190563

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-1190563
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 4
  • Element list: ['Cu', 'Hg', 'Sb', 'S']
  • Chemical System: Cu-Hg-S-Sb
  • Density: 5.532489377147434
  • Atomic Density: 0.04490544033086537
  • Unit Cell Volume: 556.725417138744
  • Molar Volume: 13.41071530671693
  • Full Formula: Cu6 Hg3 Sb4 S12
  • Reduced Formula: Cu6Hg3(SbS3)4
  • Formula Anonymous: A3B4C6D12
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -102.98406629000002
  • Final energy per atom: -4.1193626516
  • 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.