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  1. Third-Parties
  2. MatprojStructure
  3. mp-676920

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-676920
  • 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: 70
  • Number of elements: 3
  • Element list: ['K', 'Si', 'Te']
  • Chemical System: K-Si-Te
  • Density: 3.609197536009573
  • Atomic Density: 0.02493887044141959
  • Unit Cell Volume: 2806.8632925627967
  • Molar Volume: 24.147608345557465
  • Full Formula: K14 Si16 Te40
  • Reduced Formula: K7(Si2Te5)4
  • Formula Anonymous: A7B8C20
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -263.2360024
  • Final energy per atom: -3.7605143200000004
  • 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.