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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223247

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-1223247
  • 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: 23
  • Number of elements: 4
  • Element list: ['La', 'Fe', 'Si', 'S']
  • Chemical System: Fe-La-S-Si
  • Density: 4.3370278043328705
  • Atomic Density: 0.04308205360764312
  • Unit Cell Volume: 533.8649872512021
  • Molar Volume: 13.97830478287976
  • Full Formula: La6 Fe1 Si2 S14
  • Reduced Formula: La6Fe(SiS7)2
  • Formula Anonymous: AB2C6D14
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -152.28998193
  • Final energy per atom: -6.621303562173914
  • 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.