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  1. Third-Parties
  2. MatprojStructure
  3. mp-698353

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-698353
  • 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: 58
  • Number of elements: 5
  • Element list: ['K', 'Bi', 'H', 'C', 'O']
  • Chemical System: Bi-C-H-K-O
  • Density: 2.7369966661216902
  • Atomic Density: 0.09296017322543136
  • Unit Cell Volume: 623.9231058589808
  • Molar Volume: 6.478194425688212
  • Full Formula: K2 Bi2 H20 C8 O26
  • Reduced Formula: KBiH10C4O13
  • Formula Anonymous: ABC4D10E13
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -365.45703159
  • Final energy per atom: -6.300983303275862
  • 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.