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  1. Third-Parties
  2. MatprojStructure
  3. mp-554554

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-554554
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['K', 'Bi', 'P', 'S']
  • Chemical System: Bi-K-P-S
  • Density: 2.3999821408299726
  • Atomic Density: 0.036198935947766055
  • Unit Cell Volume: 1657.507283821219
  • Molar Volume: 16.63623695649442
  • Full Formula: K18 Bi2 P8 S32
  • Reduced Formula: K9Bi(PS4)4
  • Formula Anonymous: AB4C9D16
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -272.23704774
  • Final energy per atom: -4.537284129
  • 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.