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  1. Third-Parties
  2. MatprojStructure
  3. mp-642313

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-642313
  • 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: 176
  • Number of elements: 4
  • Element list: ['K', 'Y', 'B', 'O']
  • Chemical System: B-K-O-Y
  • Density: 3.320669556667301
  • Atomic Density: 0.07104503863046682
  • Unit Cell Volume: 2477.3017707182225
  • Molar Volume: 8.476511345603626
  • Full Formula: K24 Y24 B32 O96
  • Reduced Formula: K3Y3(BO3)4
  • Formula Anonymous: A3B3C4D12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1426.1505675
  • Final energy per atom: -8.103128224431819
  • 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.