Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-652961

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-652961
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['La', 'Ga', 'Ge', 'O']
  • Chemical System: Ga-Ge-La-O
  • Density: 5.780287675585783
  • Atomic Density: 0.07871012908855157
  • Unit Cell Volume: 635.2422563523978
  • Molar Volume: 7.651036568908289
  • Full Formula: La6 Ga2 Ge10 O32
  • Reduced Formula: La3GaGe5O16
  • Formula Anonymous: AB3C5D16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -376.93796728
  • Final energy per atom: -7.5387593456
  • 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.