Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1223770

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-1223770
  • 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: 57
  • Number of elements: 4
  • Element list: ['K', 'Al', 'Si', 'O']
  • Chemical System: Al-K-O-Si
  • Density: 2.665974489140734
  • Atomic Density: 0.07697415872197746
  • Unit Cell Volume: 740.508255580655
  • Molar Volume: 7.823587629910105
  • Full Formula: K3 Al9 Si9 O36
  • Reduced Formula: KAl3(SiO4)3
  • Formula Anonymous: AB3C3D12
  • Spacegroup Number: 144
  • Spacegroup Symbol: P3_1
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -437.59261690000005
  • Final energy per atom: -7.677063454385966
  • 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.