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  1. Third-Parties
  2. MatprojStructure
  3. mp-560226

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-560226
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['Na', 'Nd', 'Si', 'O']
  • Chemical System: Na-Nd-O-Si
  • Density: 3.0896953282585624
  • Atomic Density: 0.0731317074247531
  • Unit Cell Volume: 1203.3084293915226
  • Molar Volume: 8.234650840329852
  • Full Formula: Na4 Nd4 Si24 O56
  • Reduced Formula: NaNd(Si3O7)2
  • Formula Anonymous: ABC6D14
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -720.68852683
  • Final energy per atom: -8.18964235034091
  • 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.