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  1. Third-Parties
  2. MatprojStructure
  3. mp-866660

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-866660
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['K', 'P', 'Au', 'Se']
  • Chemical System: Au-K-P-Se
  • Density: 3.8594090689476883
  • Atomic Density: 0.032283978460232676
  • Unit Cell Volume: 867.3032672999187
  • Molar Volume: 18.653651276028626
  • Full Formula: K6 P4 Au2 Se16
  • Reduced Formula: K3P2AuSe8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -114.07958531
  • Final energy per atom: -4.074270903928571
  • 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.