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  1. Third-Parties
  2. MatprojStructure
  3. mp-11131

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-11131
  • 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: 15
  • Number of elements: 4
  • Element list: ['K', 'Hg', 'Ge', 'S']
  • Chemical System: Ge-Hg-K-S
  • Density: 4.2757419701734065
  • Atomic Density: 0.03570426375715749
  • Unit Cell Volume: 420.11789129787087
  • Molar Volume: 16.866727181267716
  • Full Formula: K2 Hg3 Ge2 S8
  • Reduced Formula: K2Hg3(GeS4)2
  • Formula Anonymous: A2B2C3D8
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -57.439475
  • Final energy per atom: -3.8292983333333335
  • 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.