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  1. Third-Parties
  2. MatprojStructure
  3. mp-24570

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-24570
  • 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', 'As', 'H', 'O']
  • Chemical System: As-Be-H-O
  • Density: 2.8530016912077896
  • Atomic Density: 0.09575743778079886
  • Unit Cell Volume: 396.8360148376872
  • Molar Volume: 6.288953526289476
  • Full Formula: Be6 As4 H8 O20
  • Reduced Formula: Be3As2(H2O5)2
  • Formula Anonymous: A2B3C4D10
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -243.57657803
  • Final energy per atom: -6.409909948157895
  • 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.