Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-677431

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-677431
  • 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: 40
  • Number of elements: 5
  • Element list: ['Na', 'Sr', 'Ti', 'Nb', 'O']
  • Chemical System: Na-Nb-O-Sr-Ti
  • Density: 4.452426251655455
  • Atomic Density: 0.07942653614424268
  • Unit Cell Volume: 503.61002684742465
  • Molar Volume: 7.582026174556426
  • Full Formula: Na6 Sr2 Ti2 Nb6 O24
  • Reduced Formula: Na3SrTiNb3O12
  • Formula Anonymous: ABC3D3E12
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -326.17873631
  • Final energy per atom: -8.154468407749999
  • 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.