Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1234842

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-1234842
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 35
  • Number of elements: 4
  • Element list: ['Sr', 'Mg', 'Mn', 'O']
  • Chemical System: Mg-Mn-O-Sr
  • Density: 4.75864534762099
  • Atomic Density: 0.07295198109774687
  • Unit Cell Volume: 479.7676426786027
  • Molar Volume: 8.25493793229694
  • Full Formula: Sr8 Mg1 Mn6 O20
  • Reduced Formula: Sr8MgMn6O20
  • Formula Anonymous: AB6C8D20
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -257.98608287
  • Final energy per atom: -7.371030939142858
  • 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.