Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1218259

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-1218259
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['Sr', 'Nd', 'Mn', 'O']
  • Chemical System: Mn-Nd-O-Sr
  • Density: 6.311551528463293
  • Atomic Density: 0.08324210470009924
  • Unit Cell Volume: 720.7890792305792
  • Molar Volume: 7.234488822328901
  • Full Formula: Sr4 Nd8 Mn12 O36
  • Reduced Formula: SrNd2Mn3O9
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -501.98410079000007
  • Final energy per atom: -8.366401679833334
  • 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.