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  1. Third-Parties
  2. MatprojStructure
  3. mp-1048097

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-1048097
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Be', 'Si', 'Ni', 'O']
  • Chemical System: Be-Ni-O-Si
  • Density: 3.3440607066899912
  • Atomic Density: 0.09574382591366115
  • Unit Cell Volume: 835.5630165870074
  • Molar Volume: 6.2898476246714665
  • Full Formula: Be12 Si12 Ni8 O48
  • Reduced Formula: Be3Si3(NiO6)2
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -594.74226869
  • Final energy per atom: -7.434278358624999
  • 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.