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  1. Third-Parties
  2. MatprojStructure
  3. mp-649944

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-649944
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['Na', 'Cu', 'Si', 'O']
  • Chemical System: Cu-Na-O-Si
  • Density: 3.297772148967454
  • Atomic Density: 0.07709599903747351
  • Unit Cell Volume: 1089.5507036515696
  • Molar Volume: 7.811223455412855
  • Full Formula: Na8 Cu12 Si16 O48
  • Reduced Formula: Na2Cu3(SiO3)4
  • Formula Anonymous: A2B3C4D12
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -587.48946435
  • Final energy per atom: -6.993922194642858
  • 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.