Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1216071

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-1216071
  • 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: 40
  • Number of elements: 5
  • Element list: ['Zn', 'Cu', 'Sn', 'Hg', 'S']
  • Chemical System: Cu-Hg-S-Sn-Zn
  • Density: 5.061245247666292
  • Atomic Density: 0.04683937874301728
  • Unit Cell Volume: 853.9822916836428
  • Molar Volume: 12.857003917665685
  • Full Formula: Zn2 Cu10 Sn5 Hg3 S20
  • Reduced Formula: Zn2Cu10Sn5Hg3S20
  • Formula Anonymous: A2B3C5D10E20
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -171.31262782
  • Final energy per atom: -4.2828156955
  • 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.