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  1. Third-Parties
  2. MatprojStructure
  3. mp-707304

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-707304
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Be', 'Si', 'H', 'O']
  • Chemical System: Be-H-O-Si
  • Density: 2.5372576757641636
  • Atomic Density: 0.10903541201755736
  • Unit Cell Volume: 311.8252994222205
  • Molar Volume: 5.523105428381643
  • Full Formula: Be8 Si4 H4 O18
  • Reduced Formula: Be4Si2H2O9
  • Formula Anonymous: A2B2C4D9
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -251.06281216
  • Final energy per atom: -7.3842003576470585
  • 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.