Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-40830

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-40830
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Na', 'Sr', 'La', 'Ti', 'O']
  • Chemical System: La-Na-O-Sr-Ti
  • Density: 4.967811611431924
  • Atomic Density: 0.0827272470208804
  • Unit Cell Volume: 604.3957922035044
  • Molar Volume: 7.279513070802428
  • Full Formula: Na2 Sr6 La2 Ti10 O30
  • Reduced Formula: NaSr3LaTi5O15
  • Formula Anonymous: ABC3D5E15
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -425.81602921
  • Final energy per atom: -8.5163205842
  • 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.