Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1986412

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-1986412
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Sr', 'La', 'Mn', 'Zn', 'O']
  • Chemical System: La-Mn-O-Sr-Zn
  • Density: 6.072773630059759
  • Atomic Density: 0.07299691208585654
  • Unit Cell Volume: 767.1557385076051
  • Molar Volume: 8.249856860954553
  • Full Formula: Sr8 La8 Mn4 Zn4 O32
  • Reduced Formula: Sr2La2MnZnO8
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -415.32851518
  • Final energy per atom: -7.416580628214286
  • 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.