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  1. Third-Parties
  2. MatprojStructure
  3. mp-628768

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-628768
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['In', 'Sn', 'Se']
  • Chemical System: In-Se-Sn
  • Density: 5.388627459645748
  • Atomic Density: 0.03267537134772033
  • Unit Cell Volume: 2203.494467860829
  • Molar Volume: 18.430213679637788
  • Full Formula: In32 Sn8 Se32
  • Reduced Formula: In4SnSe4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -279.62771783
  • Final energy per atom: -3.883718303194444
  • 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.