Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-15225

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-15225
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 3
  • Element list: ['Nd', 'Si', 'O']
  • Chemical System: Nd-O-Si
  • Density: 5.245602661695214
  • Atomic Density: 0.07609476074879007
  • Unit Cell Volume: 1156.4528113901617
  • Molar Volume: 7.914001832374187
  • Full Formula: Nd16 Si16 O56
  • Reduced Formula: Nd2Si2O7
  • Formula Anonymous: A2B2C7
  • Spacegroup Number: 76
  • Spacegroup Symbol: P4_1
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -757.77201386
  • Final energy per atom: -8.611045612045455
  • 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.