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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193130

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-1193130
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Na', 'Nd', 'Si', 'O']
  • Chemical System: Na-Nd-O-Si
  • Density: 4.459868128634633
  • Atomic Density: 0.07486547018887034
  • Unit Cell Volume: 400.71878162677814
  • Molar Volume: 8.043949693773866
  • Full Formula: Na5 Nd4 Si4 O17
  • Reduced Formula: Na5Nd4Si4O17
  • Formula Anonymous: A4B4C5D17
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -226.21505407
  • Final energy per atom: -7.540501802333334
  • 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.