Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1220869

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-1220869
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Na', 'Sr', 'Nb', 'O']
  • Chemical System: Na-Nb-O-Sr
  • Density: 4.9347140345889615
  • Atomic Density: 0.07572912599154417
  • Unit Cell Volume: 132.04958949501923
  • Molar Volume: 7.952212152392231
  • Full Formula: Na1 Sr1 Nb2 O6
  • Reduced Formula: NaSrNb2O6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -83.23929275
  • Final energy per atom: -8.323929275000001
  • 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.