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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223600

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-1223600
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 5
  • Element list: ['K', 'Ba', 'Sm', 'Bi', 'O']
  • Chemical System: Ba-Bi-K-O-Sm
  • Density: 5.4508902355743425
  • Atomic Density: 0.047988102944789446
  • Unit Cell Volume: 312.5774739888671
  • Molar Volume: 12.549236978441309
  • Full Formula: K1 Ba2 Sm1 Bi2 O9
  • Reduced Formula: KBa2SmBi2O9
  • Formula Anonymous: ABC2D2E9
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -86.48646810000001
  • Final energy per atom: -5.765764540000001
  • 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.