Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-555182

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-555182
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Na', 'Be', 'Si', 'O']
  • Chemical System: Be-Na-O-Si
  • Density: 2.500248269939397
  • Atomic Density: 0.08243128440483712
  • Unit Cell Volume: 776.4042555212744
  • Molar Volume: 7.3056495522064395
  • Full Formula: Na8 Be8 Si12 O36
  • Reduced Formula: Na2Be2(SiO3)3
  • Formula Anonymous: A2B2C3D9
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -478.3851367200001
  • Final energy per atom: -7.474767761250002
  • 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.