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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227442

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-1227442
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['Be', 'B', 'H', 'O']
  • Chemical System: B-Be-H-O
  • Density: 2.002442235888413
  • Atomic Density: 0.1185887756880936
  • Unit Cell Volume: 92.75751382181112
  • Molar Volume: 5.078170952569019
  • Full Formula: Be2 B1 H3 O5
  • Reduced Formula: Be2BH3O5
  • Formula Anonymous: AB2C3D5
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -74.71429861
  • Final energy per atom: -6.792208964545455
  • 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.