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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199292

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-1199292
  • 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: 88
  • Number of elements: 6
  • Element list: ['K', 'B', 'H', 'C', 'N', 'O']
  • Chemical System: B-C-H-K-N-O
  • Density: 1.4748986643273947
  • Atomic Density: 0.0702807200144004
  • Unit Cell Volume: 1252.1214919535394
  • Molar Volume: 8.568695310415253
  • Full Formula: K4 B4 H16 C16 N32 O16
  • Reduced Formula: KBH4C4(N2O)4
  • Formula Anonymous: ABC4D4E4F8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -617.20046632
  • Final energy per atom: -7.013641662727273
  • 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.