Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1247722

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-1247722
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 154
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Mn', 'Al', 'O']
  • Chemical System: Al-Ca-Mn-O-Sr
  • Density: 4.241945946327293
  • Atomic Density: 0.08629508863969271
  • Unit Cell Volume: 1784.5743300988443
  • Molar Volume: 6.97854403411555
  • Full Formula: Sr4 Ca28 Mn28 Al4 O90
  • Reduced Formula: Sr2Ca14Mn14Al2O45
  • Formula Anonymous: A2B2C14D14E45
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -1178.05434703
  • Final energy per atom: -7.6497035521428565
  • 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.