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  1. Third-Parties
  2. MatprojStructure
  3. mp-31286

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-31286
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 2
  • Element list: ['K', 'Bi']
  • Chemical System: Bi-K
  • Density: 2.8958213543171554
  • Atomic Density: 0.021379545209261386
  • Unit Cell Volume: 1122.568313081022
  • Molar Volume: 28.167768308706936
  • Full Formula: K18 Bi6
  • Reduced Formula: K3Bi
  • Formula Anonymous: AB3
  • Spacegroup Number: 185
  • Spacegroup Symbol: P6_3cm
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -52.09010167999999
  • Final energy per atom: -2.170420903333333
  • 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.