Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-694960

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-694960
  • 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: 5
  • Element list: ['Na', 'La', 'Ti', 'Mn', 'O']
  • Chemical System: La-Mn-Na-O-Ti
  • Density: 5.470781904488331
  • Atomic Density: 0.08299149853641656
  • Unit Cell Volume: 361.48280883054593
  • Molar Volume: 7.256334523659062
  • Full Formula: Na2 La4 Ti4 Mn2 O18
  • Reduced Formula: NaLa2Ti2MnO9
  • Formula Anonymous: ABC2D2E9
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -259.84911798
  • Final energy per atom: -8.661637266000001
  • 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.