Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1221445

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-1221445
  • 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: 50
  • Number of elements: 4
  • Element list: ['Na', 'Al', 'Ge', 'O']
  • Chemical System: Al-Ge-Na-O
  • Density: 2.643374965523926
  • Atomic Density: 0.06379510835863508
  • Unit Cell Volume: 783.7591515468
  • Molar Volume: 9.439815865106004
  • Full Formula: Na6 Al6 Ge6 O32
  • Reduced Formula: Na3Al3Ge3O16
  • Formula Anonymous: A3B3C3D16
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -316.67879514
  • Final energy per atom: -6.3335759028
  • 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.