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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218345

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-1218345
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Sr', 'Ca', 'Al']
  • Chemical System: Al-Ca-Sr
  • Density: 2.8896786213116954
  • Atomic Density: 0.04431307509799736
  • Unit Cell Volume: 135.40021735641537
  • Molar Volume: 13.589986130915474
  • Full Formula: Sr1 Ca1 Al4
  • Reduced Formula: SrCaAl4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -20.36781232
  • Final energy per atom: -3.3946353866666663
  • 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.