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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219229

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-1219229
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Sm', 'Si', 'S', 'Cl']
  • Chemical System: Cl-S-Si-Sm
  • Density: 4.694661308944524
  • Atomic Density: 0.04398688609265084
  • Unit Cell Volume: 500.14906610258265
  • Molar Volume: 13.690763986601352
  • Full Formula: Sm6 Si2 S12 Cl2
  • Reduced Formula: Sm3SiS6Cl
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -137.25332023
  • Final energy per atom: -6.238787283181819
  • 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.