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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223487

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-1223487
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 4
  • Element list: ['La', 'Si', 'Sn', 'S']
  • Chemical System: La-S-Si-Sn
  • Density: 4.253214092032797
  • Atomic Density: 0.04122723861552994
  • Unit Cell Volume: 1091.5113772147936
  • Molar Volume: 14.607189232730985
  • Full Formula: La12 Si4 Sn1 S28
  • Reduced Formula: La12Si4SnS28
  • Formula Anonymous: AB4C12D28
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -291.41148234
  • Final energy per atom: -6.475810718666667
  • 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.