Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-738741

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-738741
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Sr', 'La', 'Mn', 'Cu', 'O']
  • Chemical System: Cu-La-Mn-O-Sr
  • Density: 6.32261505762832
  • Atomic Density: 0.08273855540514423
  • Unit Cell Volume: 483.45054858805304
  • Molar Volume: 7.278518135241187
  • Full Formula: Sr2 La6 Mn7 Cu1 O24
  • Reduced Formula: Sr2La6Mn7CuO24
  • Formula Anonymous: AB2C6D7E24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -332.78439179
  • Final energy per atom: -8.319609794749999
  • 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.