Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1223068

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-1223068
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Li', 'Eu', 'Si', 'Cl', 'O']
  • Chemical System: Cl-Eu-Li-O-Si
  • Density: 4.547407910359626
  • Atomic Density: 0.06115344613708742
  • Unit Cell Volume: 1373.593890550298
  • Molar Volume: 9.847590185678486
  • Full Formula: Li14 Eu16 Si8 Cl14 O32
  • Reduced Formula: Li7Eu8Si4Cl7O16
  • Formula Anonymous: A4B7C7D8E16
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -669.17646589
  • Final energy per atom: -7.966386498690476
  • 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.