Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1229336

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-1229336
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 87
  • Number of elements: 4
  • Element list: ['Al', 'Ge', 'Se', 'O']
  • Chemical System: Al-Ge-O-Se
  • Density: 2.15988027121849
  • Atomic Density: 0.0617622418359249
  • Unit Cell Volume: 1408.6276244816488
  • Molar Volume: 9.750521647187252
  • Full Formula: Al12 Ge1 Se4 O70
  • Reduced Formula: Al12Ge(Se2O35)2
  • Formula Anonymous: AB4C12D70
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -433.18070515
  • Final energy per atom: -4.979088564942528
  • 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.