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  1. Third-Parties
  2. MatprojStructure
  3. mp-510347

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-510347
  • 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: 22
  • Number of elements: 3
  • Element list: ['In', 'S', 'Br']
  • Chemical System: Br-In-S
  • Density: 4.830963434381517
  • Atomic Density: 0.0392991149661786
  • Unit Cell Volume: 559.8090445276828
  • Molar Volume: 15.323858476667334
  • Full Formula: In10 S10 Br2
  • Reduced Formula: In5S5Br
  • Formula Anonymous: AB5C5
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -90.31547937
  • Final energy per atom: -4.105249062272727
  • 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.