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  1. Third-Parties
  2. MatprojStructure
  3. mp-707775

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-707775
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['K', 'B', 'H', 'O']
  • Chemical System: B-H-K-O
  • Density: 2.0992766117020376
  • Atomic Density: 0.09281308753569226
  • Unit Cell Volume: 991.2395163518337
  • Molar Volume: 6.488460754722896
  • Full Formula: K8 B20 H20 O44
  • Reduced Formula: K2B5H5O11
  • Formula Anonymous: A2B5C5D11
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -639.23880758
  • Final energy per atom: -6.94824790847826
  • 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.