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  1. Third-Parties
  2. MatprojStructure
  3. mp-1255268

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-1255268
  • 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: 36
  • Number of elements: 5
  • Element list: ['Ce', 'Be', 'Si', 'H', 'O']
  • Chemical System: Be-Ce-H-O-Si
  • Density: 4.417282356310994
  • Atomic Density: 0.0927173506564758
  • Unit Cell Volume: 388.2768407973875
  • Molar Volume: 6.495160525361051
  • Full Formula: Ce4 Be4 Si4 H4 O20
  • Reduced Formula: CeBeSiHO5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -281.12796373000003
  • Final energy per atom: -7.809110103611112
  • 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.