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  1. Third-Parties
  2. MatprojStructure
  3. mp-569019

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-569019
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Gd', 'Ti', 'Mn', 'Si']
  • Chemical System: Gd-Mn-Si-Ti
  • Density: 6.439931025630205
  • Atomic Density: 0.049391557544731596
  • Unit Cell Volume: 364.4347514997528
  • Molar Volume: 12.192652063150735
  • Full Formula: Gd6 Ti4 Mn2 Si6
  • Reduced Formula: Gd3Ti2MnSi3
  • Formula Anonymous: AB2C3D3
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -170.61899911
  • Final energy per atom: -9.47883328388889
  • 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.