Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1218266

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-1218266
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Sr', 'La', 'Mn', 'Cr', 'O']
  • Chemical System: Cr-La-Mn-O-Sr
  • Density: 6.209983115404057
  • Atomic Density: 0.08190948853624498
  • Unit Cell Volume: 244.17195562330966
  • Molar Volume: 7.3521894320402215
  • Full Formula: Sr1 La3 Mn3 Cr1 O12
  • Reduced Formula: SrLa3Mn3CrO12
  • Formula Anonymous: ABC3D3E12
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -171.57382671
  • Final energy per atom: -8.5786913355
  • 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.