Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1197930

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-1197930
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 5
  • Element list: ['Cs', 'Li', 'Gd', 'B', 'O']
  • Chemical System: B-Cs-Gd-Li-O
  • Density: 5.201795291899362
  • Atomic Density: 0.0790590789630195
  • Unit Cell Volume: 1366.0670149030934
  • Molar Volume: 7.617266529018007
  • Full Formula: Cs4 Li8 Gd16 B20 O60
  • Reduced Formula: CsLi2Gd4(BO3)5
  • Formula Anonymous: AB2C4D5E15
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1023.57701345
  • Final energy per atom: -9.477564939351852
  • 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.