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  1. Third-Parties
  2. MatprojStructure
  3. mp-17307

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-17307
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['K', 'Hg', 'Ge', 'Se']
  • Chemical System: Ge-Hg-K-Se
  • Density: 5.0863418348522105
  • Atomic Density: 0.031536248799570954
  • Unit Cell Volume: 951.2862544516754
  • Molar Volume: 19.09593242453722
  • Full Formula: K4 Hg6 Ge4 Se16
  • Reduced Formula: K2Hg3(GeSe4)2
  • Formula Anonymous: A2B2C3D8
  • Spacegroup Number: 41
  • Spacegroup Symbol: Aea2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -103.39463628
  • Final energy per atom: -3.446487876
  • 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.