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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226169

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-1226169
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 4
  • Element list: ['Cu', 'Hg', 'Sb', 'S']
  • Chemical System: Cu-Hg-S-Sb
  • Density: 5.458931794384934
  • Atomic Density: 0.04912893235671783
  • Unit Cell Volume: 590.2835378028437
  • Molar Volume: 12.257829492963813
  • Full Formula: Cu10 Hg2 Sb4 S13
  • Reduced Formula: Cu10Hg2Sb4S13
  • Formula Anonymous: A2B4C10D13
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -123.99362849
  • Final energy per atom: -4.275642361724138
  • 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.