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  1. Third-Parties
  2. MatprojStructure
  3. mp-556001

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-556001
  • 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: 112
  • Number of elements: 5
  • Element list: ['Na', 'Be', 'Si', 'H', 'O']
  • Chemical System: Be-H-Na-O-Si
  • Density: 2.473273987897994
  • Atomic Density: 0.08502010293913485
  • Unit Cell Volume: 1317.3355021715254
  • Molar Volume: 7.0831962698412605
  • Full Formula: Na8 Be8 Si24 H8 O64
  • Reduced Formula: NaBeSi3HO8
  • Formula Anonymous: ABCD3E8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -842.5047368099999
  • Final energy per atom: -7.5223637215178565
  • 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.