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  1. Third-Parties
  2. MatprojStructure
  3. mp-16988

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-16988
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Sr', 'Cu', 'Sn', 'S']
  • Chemical System: Cu-S-Sn-Sr
  • Density: 4.228700144982886
  • Atomic Density: 0.04412704417970775
  • Unit Cell Volume: 543.8841519105563
  • Molar Volume: 13.64727883307747
  • Full Formula: Sr3 Cu6 Sn3 S12
  • Reduced Formula: SrCu2SnS4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 152
  • Spacegroup Symbol: P3_121
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -115.93792132
  • Final energy per atom: -4.830746721666666
  • 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.