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  1. Third-Parties
  2. MatprojStructure
  3. mp-722977

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-722977
  • 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: 132
  • Number of elements: 4
  • Element list: ['Na', 'Si', 'H', 'O']
  • Chemical System: H-Na-O-Si
  • Density: 1.6507962579317825
  • Atomic Density: 0.11543382467029721
  • Unit Cell Volume: 1143.5123143239791
  • Molar Volume: 5.216963725494217
  • Full Formula: Na8 Si4 H72 O48
  • Reduced Formula: Na2Si(H3O2)6
  • Formula Anonymous: AB2C12D18
  • Spacegroup Number: 73
  • Spacegroup Symbol: Ibca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -715.57351994
  • Final energy per atom: -5.4210115146969695
  • 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.