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  1. Third-Parties
  2. MatprojStructure
  3. mp-557574

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-557574
  • 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: 16
  • Number of elements: 4
  • Element list: ['Cu', 'Hg', 'Ge', 'S']
  • Chemical System: Cu-Ge-Hg-S
  • Density: 5.370106443893239
  • Atomic Density: 0.048945347230868984
  • Unit Cell Volume: 326.89521895779046
  • Molar Volume: 12.303806389592717
  • Full Formula: Cu4 Hg2 Ge2 S8
  • Reduced Formula: Cu2HgGeS4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -67.83780071
  • Final energy per atom: -4.239862544375
  • 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.