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  1. Third-Parties
  2. MatprojStructure
  3. mp-686204

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-686204
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['K', 'Ba', 'Pr', 'Bi', 'O']
  • Chemical System: Ba-Bi-K-O-Pr
  • Density: 5.835034511201977
  • Atomic Density: 0.057018694887032144
  • Unit Cell Volume: 876.9053746155032
  • Molar Volume: 10.561695198270185
  • Full Formula: K6 Ba4 Pr4 Bi6 O30
  • Reduced Formula: K3Ba2Pr2(BiO5)3
  • Formula Anonymous: A2B2C3D3E15
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -312.73056684
  • Final energy per atom: -6.2546113368
  • 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.