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  1. Third-Parties
  2. MatprojStructure
  3. mp-1232120

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-1232120
  • 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: 28
  • Number of elements: 3
  • Element list: ['Mg', 'Sc', 'S']
  • Chemical System: Mg-S-Sc
  • Density: 2.3676963567452143
  • Atomic Density: 0.04116278147692345
  • Unit Cell Volume: 680.2261410759444
  • Molar Volume: 14.630062750681983
  • Full Formula: Mg4 Sc8 S16
  • Reduced Formula: Mg(ScS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -176.35609324
  • Final energy per atom: -6.298431901428572
  • 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.