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  1. Third-Parties
  2. MatprojStructure
  3. mp-24674

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-24674
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 4
  • Element list: ['Be', 'P', 'H', 'O']
  • Chemical System: Be-H-O-P
  • Density: 2.3381068299878485
  • Atomic Density: 0.10573808950127822
  • Unit Cell Volume: 359.3785378497938
  • Molar Volume: 5.695337213301174
  • Full Formula: Be6 P4 H8 O20
  • Reduced Formula: Be3P2(H2O5)2
  • Formula Anonymous: A2B3C4D10
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -262.27782459
  • Final energy per atom: -6.902048015526316
  • 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.