Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1226410

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-1226410
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 51
  • Number of elements: 5
  • Element list: ['Cs', 'Na', 'Al', 'Ge', 'O']
  • Chemical System: Al-Cs-Ge-Na-O
  • Density: 3.348910329530468
  • Atomic Density: 0.06618284425190857
  • Unit Cell Volume: 770.5924484883296
  • Molar Volume: 9.099247438019157
  • Full Formula: Cs2 Na6 Al6 Ge7 O30
  • Reduced Formula: Cs2Na6Al6Ge7O30
  • Formula Anonymous: A2B6C6D7E30
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -333.36185804
  • Final energy per atom: -6.536507020392158
  • 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.