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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227888

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-1227888
  • 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: 80
  • Number of elements: 5
  • Element list: ['Ca', 'Mg', 'Al', 'Si', 'O']
  • Chemical System: Al-Ca-Mg-O-Si
  • Density: 3.4631812597913076
  • Atomic Density: 0.1005200955182663
  • Unit Cell Volume: 795.8607638356509
  • Molar Volume: 5.990981931474259
  • Full Formula: Ca3 Mg9 Al8 Si12 O48
  • Reduced Formula: Ca3Mg9Al8(SiO4)12
  • Formula Anonymous: A3B8C9D12E48
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -617.06907645
  • Final energy per atom: -7.713363455625
  • 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.