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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219311

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-1219311
  • 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: 14
  • Number of elements: 4
  • Element list: ['Sc', 'Mn', 'Ga', 'S']
  • Chemical System: Ga-Mn-S-Sc
  • Density: 3.3131212224604036
  • Atomic Density: 0.045015261721782586
  • Unit Cell Volume: 311.00563374544356
  • Molar Volume: 13.377997882629053
  • Full Formula: Sc1 Mn2 Ga3 S8
  • Reduced Formula: ScMn2Ga3S8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -81.89333529
  • Final energy per atom: -5.849523949285714
  • 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.