Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1223157

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-1223157
  • 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: 23
  • Number of elements: 4
  • Element list: ['La', 'Cd', 'Si', 'S']
  • Chemical System: Cd-La-S-Si
  • Density: 4.417688953866145
  • Atomic Density: 0.04217246270797649
  • Unit Cell Volume: 545.3795800179767
  • Molar Volume: 14.279793906512777
  • Full Formula: La6 Cd1 Si2 S14
  • Reduced Formula: La6Cd(SiS7)2
  • Formula Anonymous: AB2C6D14
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -145.43222439
  • Final energy per atom: -6.323140190869565
  • 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.