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  1. Third-Parties
  2. MatprojStructure
  3. mp-17792

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-17792
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['K', 'Hg', 'Ge', 'S']
  • Chemical System: Ge-Hg-K-S
  • Density: 4.285724245517021
  • Atomic Density: 0.035787620001348844
  • Unit Cell Volume: 838.2787119922838
  • Molar Volume: 16.82744133243011
  • Full Formula: K4 Hg6 Ge4 S16
  • Reduced Formula: K2Hg3(GeS4)2
  • Formula Anonymous: A2B2C3D8
  • Spacegroup Number: 41
  • Spacegroup Symbol: Aea2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -114.88329898
  • Final energy per atom: -3.8294432993333336
  • 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.