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  1. Third-Parties
  2. MatprojStructure
  3. mp-1019775

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-1019775
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['K', 'Ge', 'S', 'O']
  • Chemical System: Ge-K-O-S
  • Density: 2.4019335146604686
  • Atomic Density: 0.0638890617380336
  • Unit Cell Volume: 939.1278940050794
  • Molar Volume: 9.42593394890158
  • Full Formula: K4 Ge2 S12 O42
  • Reduced Formula: K2Ge(S2O7)3
  • Formula Anonymous: AB2C6D21
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -384.0650037
  • Final energy per atom: -6.401083395
  • 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.