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  1. Third-Parties
  2. MatprojStructure
  3. mp-706809

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-706809
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 81
  • Number of elements: 5
  • Element list: ['Ca', 'Al', 'Si', 'Ag', 'O']
  • Chemical System: Ag-Al-Ca-O-Si
  • Density: 1.9530226812281353
  • Atomic Density: 0.04205845655307026
  • Unit Cell Volume: 1925.8909298726278
  • Molar Volume: 14.31850156555587
  • Full Formula: Ca2 Al11 Si13 Ag7 O48
  • Reduced Formula: Ca2Al11Si13Ag7O48
  • Formula Anonymous: A2B7C11D13E48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -605.04129824
  • Final energy per atom: -7.46964565728395
  • 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.