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  1. Third-Parties
  2. MatprojStructure
  3. mp-623787

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-623787
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 4
  • Element list: ['Cs', 'K', 'B', 'O']
  • Chemical System: B-Cs-K-O
  • Density: 2.8125495478829046
  • Atomic Density: 0.07251199440367152
  • Unit Cell Volume: 855.0309574282063
  • Molar Volume: 8.305027064177784
  • Full Formula: Cs4 K4 B20 O34
  • Reduced Formula: Cs2K2B10O17
  • Formula Anonymous: A2B2C10D17
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -483.2896778
  • Final energy per atom: -7.794994803225807
  • 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.